FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Dodelson, S Vesterinen, M AF Dodelson, Scott Vesterinen, Mika TI Cosmic Neutrino Last Scattering Surface SO PHYSICAL REVIEW LETTERS LA English DT Article ID UNIVERSE AB Neutrinos decoupled from the rest of the cosmic plasma when the Universe was less than one second old, far earlier than the photons, which decoupled at t = 380 000 years. Surprisingly, though, the last scattering surface of massive neutrinos is much closer to us than that of the photons. Here we calculate the properties of the last scattering surfaces of the three species of neutrinos. C1 [Dodelson, Scott] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Dodelson, Scott] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Dodelson, Scott] Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Vesterinen, Mika] Univ Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. RP Dodelson, S (reprint author), Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, POB 500, Batavia, IL 60510 USA. FU U.S. Department of Energy [DE-FG02-95ER40896] FX This work has been supported by the U.S. Department of Energy, including Grant No. DE-FG02-95ER40896. We thank Alex Kusenko for very fruitful discussions, Wayne Hu for insight into the neutrino effects on the power spectrum, and Nicole Bell for her neutrino expertise. We are grateful to the CTEQ Summer School, where a question at a late night recitation led to the idea for this work, and to the Aspen Center for Physics where the work was carried out. NR 29 TC 11 Z9 11 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 23 PY 2009 VL 103 IS 17 AR 171301 DI 10.1103/PhysRevLett.103.171301 PG 4 WC Physics, Multidisciplinary SC Physics GA 511KW UT WOS:000271164500012 PM 19905744 ER PT J AU Heidbrink, WW Park, JM Murakami, M Petty, CC Holcomb, C Van Zeeland, MA AF Heidbrink, W. W. Park, J. M. Murakami, M. Petty, C. C. Holcomb, C. Van Zeeland, M. A. TI Evidence for Fast-Ion Transport by Microturbulence SO PHYSICAL REVIEW LETTERS LA English DT Article ID DIII-D; TOKAMAK AB Cross-field diffusion of energetic ions by microturbulence is measured during neutral-beam injection into the DIII-D tokamak. Fast-ion D(alpha), neutron, and motional Stark effect measurements diagnose the fastion distribution function. As expected for transport by plasma turbulence, anomalies relative to the classical prediction are greatest in high temperature plasmas, at low fast-ion energy, and at larger minor radius. Theoretical estimates of fast-ion diffusion are comparable to experimental levels. C1 [Heidbrink, W. W.] Univ Calif Irvine, Irvine, CA 92697 USA. [Park, J. M.; Murakami, M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Petty, C. C.; Van Zeeland, M. A.] Gen Atom Co, San Diego, CA 92186 USA. [Holcomb, C.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Heidbrink, WW (reprint author), Univ Calif Irvine, Irvine, CA 92697 USA. FU U. S. Department of Energy [SC-G903402, DE-FC0204ER54698] FX This work was supported by the U. S. Department of Energy under Grants No. SC-G903402 and No. DE-FC0204ER54698. Assistance by Wenlu Zhang and the DIII-D team is gratefully acknowledged. NR 19 TC 45 Z9 45 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 23 PY 2009 VL 103 IS 17 AR 175001 DI 10.1103/PhysRevLett.103.175001 PG 4 WC Physics, Multidisciplinary SC Physics GA 511KW UT WOS:000271164500033 PM 19905765 ER PT J AU Tenne, DA Turner, P Schmidt, JD Biegalski, M Li, YL Chen, LQ Soukiassian, A Trolier-McKinstry, S Schlom, DG Xi, XX Fong, DD Fuoss, PH Eastman, JA Stephenson, GB Thompson, C Streiffer, SK AF Tenne, D. A. Turner, P. Schmidt, J. D. Biegalski, M. Li, Y. L. Chen, L. Q. Soukiassian, A. Trolier-McKinstry, S. Schlom, D. G. Xi, X. X. Fong, D. D. Fuoss, P. H. Eastman, J. A. Stephenson, G. B. Thompson, C. Streiffer, S. K. TI Ferroelectricity in Ultrathin BaTiO3 Films: Probing the Size Effect by Ultraviolet Raman Spectroscopy SO PHYSICAL REVIEW LETTERS LA English DT Article ID PEROVSKITE FILMS; THIN-FILMS; OXIDE; SUPERLATTICES; POLARIZATION; ENHANCEMENT; NANOSCALE AB We demonstrate the dramatic effect of film thickness on the ferroelectric phase transition temperature T-c in strained BaTiO3 films grown on SrTiO3 substrates. Using variable-temperature ultraviolet Raman spectroscopy enables measuring T-c in films as thin as 1.6 nm, and a film thickness variation from 1.6 to 10 nm leads to T-c tuning from 70 to about 925 K. Raman data are consistent with synchrotron x-ray scattering results, which indicate the presence of 180 degrees domains below T-c, and thermodynamic phase-field model calculations of T-c as a function of thickness. C1 [Tenne, D. A.; Turner, P.; Schmidt, J. D.] Boise State Univ, Dept Phys, Boise, ID 83725 USA. [Biegalski, M.; Li, Y. L.; Chen, L. Q.; Soukiassian, A.; Trolier-McKinstry, S.; Schlom, D. G.; Xi, X. X.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Li, Y. L.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Xi, X. X.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Fong, D. D.; Fuoss, P. H.; Eastman, J. A.; Stephenson, G. B.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Stephenson, G. B.; Streiffer, S. K.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Thompson, C.] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. RP Tenne, DA (reprint author), Boise State Univ, Dept Phys, 1910 Univ Dr, Boise, ID 83725 USA. EM dmitritenne@boisestate.edu RI Eastman, Jeffrey/E-4380-2011; Schlom, Darrell/J-2412-2013; Tenne, Dmitri/C-3294-2009; Chen, LongQing/I-7536-2012; OI Schlom, Darrell/0000-0003-2493-6113; Tenne, Dmitri/0000-0003-2697-8958; Chen, LongQing/0000-0003-3359-3781; Eastman, Jeff/0000-0002-0847-4265; Trolier-McKinstry, Susan/0000-0002-7267-9281 FU NSF [DMR-0705127, DMR-0507146, DMR-0820404]; U.S. DOE [DE-FG02-01ER45907, DE-AC02-06CH11357]; DOE EPSCoR [DE-FG02-04ER46142]; Research Corporation for Science Advancement [7134] FX This work was supported in part by the NSF Grants No. DMR-0705127 (D. A. T.), No. DMR-0507146 (L. Q. C., D. G. S., X. X. X.), and DMR-0820404 (L. Q. C., Y.L.L., D. G. S., X. X. X.); U.S. DOE Grant No. DE-FG02-01ER45907 (X. X. X.), DOE EPSCoR Grant No. DE-FG02-04ER46142 (D. A. T.), and Research Corporation for Science Advancement Grant No. 7134 (D. A. T.). X-ray studies at Argonne National Laboratory were supported by the U.S. Department of Energy under Contract No. DE-AC02-06CH11357. NR 35 TC 58 Z9 59 U1 11 U2 112 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 23 PY 2009 VL 103 IS 17 AR 177601 DI 10.1103/PhysRevLett.103.177601 PG 4 WC Physics, Multidisciplinary SC Physics GA 511KW UT WOS:000271164500051 PM 19905783 ER PT J AU Walsh, DA Zaikova, E Howes, CG Song, YC Wright, JJ Tringe, SG Tortell, PD Hallam, SJ AF Walsh, David A. Zaikova, Elena Howes, Charles G. Song, Young C. Wright, Jody J. Tringe, Susannah G. Tortell, Philippe D. Hallam, Steven J. TI Metagenome of a Versatile Chemolithoautotroph from Expanding Oceanic Dead Zones SO SCIENCE LA English DT Article ID SULFIDE OXIDATION; ESCHERICHIA-COLI; SULFUR OXIDATION; WATERS; NITRATE; SEA; PROKARYOTES; DIVERSITY; BACTERIAL; SYMBIONT AB Oxygen minimum zones, also known as oceanic "dead zones," are widespread oceanographic features currently expanding because of global warming. Although inhospitable to metazoan life, they support a cryptic microbiota whose metabolic activities affect nutrient and trace gas cycling within the global ocean. Here, we report metagenomic analyses of a ubiquitous and abundant but uncultivated oxygen minimum zone microbe (SUP05) related to chemoautotrophic gill symbionts of deep-sea clams and mussels. The SUP05 metagenome harbors a versatile repertoire of genes mediating autotrophic carbon assimilation, sulfur oxidation, and nitrate respiration responsive to a wide range of water-column redox states. Our analysis provides a genomic foundation for understanding the ecological and biogeochemical role of pelagic SUP05 in oxygen-deficient oceanic waters and its potential sensitivity to environmental changes. C1 [Walsh, David A.; Zaikova, Elena; Howes, Charles G.; Song, Young C.; Wright, Jody J.; Hallam, Steven J.] Univ British Columbia, Dept Microbiol & Immunol, Vancouver, BC V6T 1Z4, Canada. [Tringe, Susannah G.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. [Tortell, Philippe D.] Univ British Columbia, Dept Earth & Ocean Sci, Vancouver, BC V6T 1Z4, Canada. [Tortell, Philippe D.] Univ British Columbia, Dept Bot, Vancouver, BC V6T 1Z4, Canada. [Hallam, Steven J.] Univ British Columbia, Grad Program Bioinformat, Vancouver, BC V6T 1Z4, Canada. RP Hallam, SJ (reprint author), Univ British Columbia, Dept Microbiol & Immunol, Vancouver, BC V6T 1Z4, Canada. EM shallam@interchange.ubc.ca FU U. S. Department of Energy's Office of Science, Biological, and Environmental Research Program; University of California, Lawrence Berkeley National Laboratory, Lawrence Livermore National Laboratory [DE-AC02-05CH11231, DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396]; Natural Sciences and Engineering Research Council (NSERC) of Canada [328256-07, STPSC 356988]; Canada Foundation for Innovation (CFI) [Canada Foundation for Innovation (CFI) 17444]; Canadian Institute for Advanced Research ( CIFAR); Center for Bioinorganic Chemistry (CEBIC); NSERC; Killam Trust; Tula Foundation-funded Centre for Microbial Diversity and Evolution (CMDE); DNA DataBank of Japan and European Molecular Biology Laboratory; [ACSG00000000] FX This work was performed under the auspices of the U. S. Department of Energy's Office of Science, Biological, and Environmental Research Program and by the University of California, Lawrence Berkeley National Laboratory, Lawrence Livermore National Laboratory under contract no. DE-AC02-05CH11231, Lawrence Livermore National Laboratory under contract no. DE-AC52-07NA27344, and Los Alamos National Laboratory under contract no. DE-AC02-06NA25396. This work was also supported by grants from the Natural Sciences and Engineering Research Council (NSERC) of Canada 328256-07 and STPSC 356988, Canada Foundation for Innovation (CFI) 17444; Canadian Institute for Advanced Research ( CIFAR), and the Center for Bioinorganic Chemistry (CEBIC). D. A. W. was supported by NSERC, Killam Trust, and the Tula Foundation-funded Centre for Microbial Diversity and Evolution (CMDE). We thank M. Robert ( Institute of Ocean Sciences, Sidney, BC, Canada), C. Payne, L. Pakhomova, and J. Granger (UBC) for help in sampling and chemical analyses and the captains and crews of the CCGS John P. Tulley and HMS John Strickland for logistical support. We thank the Joint Genome Institute, including K. Barry, S. Pitluck, and E. Kirton, for technical assistance and A. Page, K. Mitchell, and S. Lee in the Hallam laboratory for reading the manuscript. This metagenome project has been deposited at the DNA DataBank of Japan and European Molecular Biology Laboratory, and GenBank, under the project accession ACSG00000000. The version described in this paper is the first version, ACSG01000000. SSU rRNA gene sequences were deposited at GenBank under the accession numbers GQ345343-GQ351265, and fosmid sequences were deposited under the accession numbers GQ351266 to GQ351269 and GQ369726. NR 29 TC 148 Z9 151 U1 5 U2 68 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD OCT 23 PY 2009 VL 326 IS 5952 BP 578 EP 582 DI 10.1126/science.1175309 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 509LN UT WOS:000271019400043 PM 19900896 ER PT J AU Li, SG Zhai, HJ Wang, LS Dixon, DA AF Li, Shenggang Zhai, Hua-Jin Wang, Lai-Sheng Dixon, David A. TI Structural and Electronic Properties of Reduced Transition Metal Oxide Clusters, M3O8 and M3O8- (M = Cr, W), from Photoelectron Spectroscopy and Quantum Chemical Calculations SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Review ID DENSITY-FUNCTIONAL THEORY; DIATOMIC DISSOCIATION-ENERGIES; HYDROGEN STORAGE-SYSTEMS; PHASE CHROMIUM OXYANIONS; ION-MOLECULE REACTIONS; GAS-PHASE; AB-INITIO; THERMODYNAMIC PROPERTIES; TRIPLE EXCITATIONS; BASIS-SETS AB We report a comparative study of reduced transition metal oxide clusters, M3O8- (M = Cr, W) anions and their neutrals, via anion photoelectron spectroscopy (PES) and density functional theory (DFT) and molecular orbital theory (CCSD(T)) calculations. Well-resolved PES spectra are obtained for M3O8- (M = Cr, W) at 193 and 157 nm photon energies. Different PES spectra are observed for M = Cr versus M = W. Extensive DFT and CCSD(T) calculations are performed to locate the ground and low-lying excited states for the neutrals and anions. The ground states of Cr3O8 and Cr3O8- are predicted to be the B-3(2) and B-4(2) States of a C-2v structure, respectively, revealing ferromagnetic spin coupling for Cr 3d electrons. In contrast, the ground states of W3O8 and W3O8- are predicted to be the (1)A' state (C, symmetry) and the (2)A(1) state (C-2v symmetry), respectively, showing metal-metal d-d bonding in the anion. The current cluster geometries are in qualitative agreement with prior DFT studies at the PBE level for M = Cr and the B3LYP level for M = W. The BP86 and PW91 functionals significantly outperform the B3LYP functional for the Cr species, in terms of relative energies, electron detachment energies, and electronic excitation energies, whereas the B3LYP functional is better for the W species. Accurate heats of formation for the ground states of M3O8 are calculated from the clustering energies and the heats of formation of MO2 and MO3. The energetics have been used to predict redox reaction themiochemistry. C1 [Zhai, Hua-Jin; Wang, Lai-Sheng] Washington State Univ, Dept Phys, Richland, WA 99354 USA. [Li, Shenggang; Dixon, David A.] Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. [Zhai, Hua-Jin; Wang, Lai-Sheng] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Wang, LS (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99354 USA. EM ls.wang@pnl.gov; dadixon@bama.ua.edu FU Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, U.S. Department of Energy (DOE) [DE-FG02-03ER 15481]; DOE's Office of Biological and Environmental Research; University of Alabama FX This work was supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, U.S. Department of Energy (DOE) under Grant DE-FG02-03ER 15481 (catalysis center program) and was performed, in part, in the W. R. Wiley Environmental Molecular Sciences Laboratory including the Molecular Science Computing Facility, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at the Pacific Northwest National Laboratory, operated for DOE by Battelle. D.A.D. also thanks the Robert Ramsay Chair Fund of The University of Alabama for support. NR 111 TC 45 Z9 45 U1 6 U2 34 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD OCT 22 PY 2009 VL 113 IS 42 BP 11273 EP 11288 DI 10.1021/jp9082008 PG 16 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 505EA UT WOS:000270670700024 PM 19785452 ER PT J AU Das, J Frechet, JMJ Chakraborty, AK AF Das, Jayajit Frechet, J. M. J. Chakraborty, Arup K. TI Self-Assembly of Dendronized Polymers SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID BLOCK-COPOLYMER MELTS; DENDRITIC MACROMOLECULES; SUPRAMOLECULAR CHEMISTRY; MULTIBLOCK COPOLYMERS; DENDRIMERS; PHASES; CHAINS; MODEL AB The gradual rigidification of a single dendronized chain upon increasing the size and density of the dendron units attached to it is Studied using a Monte Carlo simulation. The dependence of the backbone flexibility oil the size and density of the dendrons is used as ail input to study the self-assembly of dendronized polymers using a real space, self-consistent field theoretic method. These calculations predict different phases ill melts and solutions, ranging from lamellar to gyroid phases, depending upon various physical (temperature, concentration) and architectural (relative Volume fraction of the backbone and the dendron units) parameters. C1 [Das, Jayajit; Chakraborty, Arup K.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA. [Chakraborty, Arup K.] MIT, Dept Chem, Cambridge, MA 02139 USA. [Chakraborty, Arup K.] MIT, Dept Bioengn, Cambridge, MA 02139 USA. [Frechet, J. M. J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Frechet, J. M. J.] Univ Calif Berkeley, Coll Chem, Berkeley, CA 94720 USA. RP Das, J (reprint author), Ohio State Univ, Battelle Ctr Math Med, Res Inst, Nationwide Childrens Hosp, 700 Childrens Dr, Columbus, OH 43205 USA. EM das.70@osu.edu; arupc@mit.edu RI Das, Jayajit/E-2951-2011 NR 37 TC 9 Z9 9 U1 1 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD OCT 22 PY 2009 VL 113 IS 42 BP 13768 EP 13775 DI 10.1021/jp902927p PG 8 WC Chemistry, Physical SC Chemistry GA 505EB UT WOS:000270670800013 PM 19572661 ER PT J AU Sun, XQ Wick, CD Dang, LX AF Sun, Xiuquan Wick, Collin D. Dang, Liem X. TI Computational Studies of Aqueous Interfaces of SrCl2 Salt Solutions SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID LIQUID-VAPOR INTERFACE; MOLECULAR-DYNAMICS; SURFACE-TENSION; AIR/WATER INTERFACE; WATER-SURFACE; VIBRATIONAL SPECTROSCOPY; POLARIZABLE WATER; ION SOLVATION; SIMULATIONS; ELECTROLYTES AB The electron density profiles and corresponding Surface structures of an aqueous interface of SrCl2 salt solution were computed by use of molecular dynamics Simulations. We used both polarizable and nonpolarizable potential models to describe molecular interactions. The results demonstrate that the polarizable models captured the essential features of the corresponding X-ray reflectivity experimental data while the corresponding nonpolarizable models could not. In addition, we demonstrated that the shape of the X-ray reflectivity curve could be quantitatively reproduced if the simulations were carried out at lower SrCl2 concentrations, making it likely that the polarizable Models used in this study somewhat overestimate the surface concentration of ions. However, significant interfacial enhancement of both Sr2+ and Cl- appears necessary to reproduce the experimental spectra. This is in contrast to systems with monovalent cations, which have generally been found to have a double layer, in which anions are enhanced at the surface but cations are repelled. C1 [Sun, Xiuquan; Dang, Liem X.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Wick, Collin D.] Louisiana Tech Univ, Dept Chem, Ruston, LA 71270 USA. RP Dang, LX (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. NR 40 TC 9 Z9 9 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD OCT 22 PY 2009 VL 113 IS 42 BP 13993 EP 13997 DI 10.1021/jp9079525 PG 5 WC Chemistry, Physical SC Chemistry GA 505EB UT WOS:000270670800043 PM 19788285 ER PT J AU Kim, HS Kim, B Lee, B Chung, H Lee, CJ Yoon, HG Kim, W AF Kim, Hyung Seok Kim, Byungwoo Lee, Byeongdu Chung, Haegeun Lee, Cheol Jin Yoon, Ho Gyu Kim, Woong TI Synthesis of Aligned Few-Walled Carbon Nanotubes on Conductive Substrates SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID DIRECT GROWTH; FIBERS; ELECTRODES; MECHANISM AB We report a robust synthesis of densely aligned few-walled carbon nanotubes on industrially useful conductive substrates such as carbon fibers and carbon papers. This was achieved by water-assisted chemical vapor deposition using an Al/Fe bimetallic catalyst and a thin epoxy-based polymer layer beneath the catalyst. The carbon nanotubes had a mean diameter of 6 nm, mainly double walls, and lengths up to a couple of millimeters. Raman spectroscopy showed high G-band/D-band intensity ratio (>5) indicating high quality of the nanotubes. They were tightly bound and electrically connected to the substrates, as confirmed by ultrasonication test and enhanced cyclic voltammetry signals, respectively. High quality carbon nanotubes synthesized on conductive substrates may find applications in fuel cells, lithium-ion batteries, and field embitters. C1 [Kim, Hyung Seok; Kim, Byungwoo; Chung, Haegeun; Yoon, Ho Gyu; Kim, Woong] Korea Univ, Dept Mat Sci & Engn, Seoul 136713, South Korea. [Lee, Cheol Jin] Korea Univ, Sch Elect Engn, Seoul 136713, South Korea. [Lee, Byeongdu] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Yoon, HG (reprint author), Korea Univ, Dept Mat Sci & Engn, Seoul 136713, South Korea. EM hgyoon@korea.ac.kr; woongkim@korea.ac.kr RI Kim, Woong/C-7067-2009; OI Lee, Byeongdu/0000-0003-2514-8805 FU Korea Research Council of Fundamental Science & Technology (KRCF); Korea Institute of Science & Technology (KIST); National Research Foundation of Korea through the Pioneer Research Center Program [M10711160001-08M1116-00110]; World Class University Project [WCU, R32-2008-000-10082-0]; Ministry of Education, Science and Technology; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors thank Dr. Myung Hwa Kim for his help with the GISAXS measurement. We acknowledge the supports from the Korea Research Council of Fundamental Science & Technology (KRCF) and Korea Institute of Science & Technology (KIST) for "National Agenda Project program", and the National Research Foundation of Korea through the Pioneer Research Center Program (No. M10711160001-08M1116-00110), and World Class University Project (WCU, R32-2008-000-10082-0) funded by the Ministry of Education, Science and Technology. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 23 TC 18 Z9 18 U1 3 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 22 PY 2009 VL 113 IS 42 BP 17983 EP 17988 DI 10.1021/jp9078162 PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 505ED UT WOS:000270671100003 ER PT J AU Perkins, CL AF Perkins, Craig L. TI Molecular Anchors for Self-Assembled Monolayers on ZnO: A Direct Comparison of the Thiol and Phosphonic Acid Moieties SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID INDIUM-TIN OXIDE; RAY PHOTOELECTRON-SPECTROSCOPY; ORGANOSULFUR COMPOUNDS; THERMAL-DECOMPOSITION; ELECTRON-DIFFRACTION; CHARGE INJECTION; GOLD SURFACES; CHAIN-LENGTH; METAL-OXIDES; FILMS AB Two of the most promising schemes for attaching organic molecules to metal oxides are based on the chemistry of the thiol and phosphonic acid moieties. We have made a direct comparison of the efficacy of these two molecular anchors on zinc oxide by comparing the chemical and physical properties of n-hexane derivatives of both. The surface properties of polycrystalline ZnO thin films and ZnO(000 (1) over bar)-O crystals modified with 1-hexanethiol and 1-hexanephosphonic acid were examined with a novel quartz crystal microbalance (QCM)-based flow cell reactor, angle-resolved and temperature-dependent photoelectron spectroscopy, and contact angle measurements. A means of using ammonium chloride as a probe of molecule-ZnO interactions is introduced and used to ascertain the relative quality of self-assembled monolayers (SAMs) based on thiols and phosphonic acids, QCM data shows that a phosphonic acid-anchored alkyl chain only six carbons long can provide significant corrosion protection for ZnO against Bronsted acids, reducing the etch rate relative to the bare ZnO surface by a factor or more than nine. In contrast, we find that monolayers from the analogous molecule hexanethiol are more defective as revealed by their higher ionic permeability and lower hydrophobicity, Substrate attenuation X-ray photoelectron spectroscopy (XPS) experiments were used to determine the thickness of SAMs formed by the two hexane derivatives and it was found that SAMs from phosphonic acids were approximately twice as thick as those formed by hexanethiol. The thermal stability of the two linking groups was also explored and we find that previous claims of highly stable alkanethiolate monolayers on ZnO are suspect. Taken as a whole, our results indicate that the phosphonic acid moiety is preferred over thiols for the attachment of short alkyl groups to ZnO. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Perkins, CL (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable Energy Laboratory FX The author would like to thank Xiaonan Li for growth of the ZnO films used in QCM and temperature-dependent XPS experiments, Chun-Sheng Jiang for AFM measurements, and Sheyu Guo front EPV Solar for the ZnO: Al/glass films. This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. NR 70 TC 50 Z9 51 U1 4 U2 63 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 22 PY 2009 VL 113 IS 42 BP 18276 EP 18286 DI 10.1021/jp906013r PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 505ED UT WOS:000270671100041 ER PT J AU Cheng, L Mei, DH Ge, QF AF Cheng, Lei Mei, Donghai Ge, Qingfeng TI Origin of Support Effects on the Reactivity of a Ceria Cluster SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID TRANSFORM INFRARED-SPECTROSCOPY; DENSITY-FUNCTIONAL THEORY; OXYGEN-STORAGE PROPERTIES; CO OXIDATION; MIXED OXIDES; THERMAL-STABILITY; SURFACE-STRUCTURE; ROOM-TEMPERATURE; REDOX PROPERTIES; CARBON-MONOXIDE AB The interaction between an active oxide and an oxide support plays a critical role in controlling the reactivity of oxide-on-oxide catalysts. In the present study; the reactivity of a small ceria cluster (Ce(sic)O4) supported on the reducible monoclinic zirconia and the irreducible gamma-alumina was investigated using the first-principles density functional theory method. Our results showed that the binding energies of the Ce2O4 cluster on the supporting ZrO2(111) and gamma-Al2O3(100) substrates are -5.32 and -4.06 eV, respectively, indicating a very strong interaction. On the basis of these oxide-on-oxide model catalysts, the effects of supports on the reactivity of Ce2O4 cluster were probed by the adsorption of CO2 and CO. The acidic CO2 molecule chemisorbs at the O sites of the cluster, forming a carbonate-like (CO32-) species through in acid-base interaction. Neither ZrO2(111) nor gamma-AlO3(100) exhibits a significant effect on CO2 adsorption over the supported Ce2O4 cluster. In contrast, the reactive adsorption of CO oil die supported Ce2O4 Cluster Shows a strong dependence on the supporting oxides: The reactive adsorption energy for CO on the gamma-Al2O3(100))-supported Ce2O4 is -4-33 eV, whereas that on the ZrO2(111)-supported cluster is only -0.55 eV. This reactive adsorption was accompanied by the reduction of Ce4+ to Ce3+ Ce2O4 clusters, leading to the formation of (Ce2O2)2+CO32-, which can be considered as an intermediate for CO oxidation to CO2. The very different stabilities of the (Ce2O2)2+CO32- intermediate on the two oxide supports were analyzed in the context of CO oxidation catalyzed by ceria. The ZrO2(111)-supported Ce2O4 cluster is expected to be highly active for CO oxidation, whereas the turnover from CO to CO2 on the gamma-Al2O3(100)-supported and the unsupported Ce2O4 clusters is hindered by the desorption of CO2 from the (Ce2O2)2+CO32- intermediates. C1 [Mei, Donghai] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. [Cheng, Lei; Ge, Qingfeng] So Illinois Univ, Dept Chem & Biochem, Carbondale, IL 62901 USA. RP Mei, DH (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. EM Donghai.mei@pnl.gov; qge@chem.siu.edu RI Mei, Donghai/D-3251-2011; Ge, Qingfeng/A-8498-2009; Cheng, Lei/J-9014-2012; Mei, Donghai/A-2115-2012 OI Ge, Qingfeng/0000-0001-6026-6693; Mei, Donghai/0000-0002-0286-4182 FU Pacific Northwest National Laboratory (PNNL); National Energy Research Scientific Computing Center (NERSC); Computational Grand Challenge "Computational Catalysis" [GC20691]; U.S. Department of Energy FX This work, was partially supported by the Laboratory Directed Research and Development (LDRD) project at Pacific Northwest National Laboratory (PNNL). Computing time was granted by the National Energy Research Scientific Computing Center (NERSC) and by a Computational Grand Challenge "Computational Catalysis" (Grant GC20691) using the Molecular Science Computing. Facility in the William. R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a U.S. Department of Energy National scientific user facility located at PNNL. NR 67 TC 6 Z9 6 U1 3 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 22 PY 2009 VL 113 IS 42 BP 18296 EP 18303 DI 10.1021/jp906873t PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 505ED UT WOS:000270671100044 ER PT J AU Shane, DT Corey, RL Bowman, RC Zidan, R Stowe, AC Hwang, SJ Kim, C Conradi, MS AF Shane, David T. Corey, Robert L. Bowman, Robert C., Jr. Zidan, Ragaiy Stowe, Ashley C. Hwang, Son-Jong Kim, Chul Conradi, Mark S. TI NMR Studies of the Hydrogen Storage Compound NaMgH3 SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID PEROVSKITE-TYPE HYDRIDES; MMGH3 M; RELAXATION; NANOCRYSTALLINE; CONDUCTORS; STABILITY; MOTION; SYSTEM; NA; RB AB Hydrogen and Na-23 NMR were performd to 400 degrees C on NaMgH3 powder produced by reactive ball-milling of NaH and MgH2. The H resonance shows narrowing already at 100 degrees C as a narrow line superimposed on the broad, rigid-lattice signal. With increasing temperature, the fraction of spins in the narrow component grows smoothly, approaching 100% near 275 degrees C. This heterogeneous narrowing suggests a wide distribution of H motion rates. After annealing, at 400 degrees C, the narrow component intensity at temperatures below 200 degrees C was substantially reduced and both H and Na-23 relaxation rates 1/7(1) were decreased. Thus, it appears that the high rates of H motion, particularly oil first heating, are due to regions with poorly organized crystal structure. If this disorder could be maintained, this might be an avenue toward improved reaction kinetics of this or other hydrides. In the annealed sample, the activation energy for H diffusion is approximately 95 kJ/mol. C1 [Shane, David T.; Corey, Robert L.; Conradi, Mark S.] Washington Univ, Dept Phys, St Louis, MO 63130 USA. [Corey, Robert L.] Dakota Sch Mines & Technol, Dept Phys, Rapid City, SD 57701 USA. [Bowman, Robert C., Jr.] RCB Hydrides LLC, Franklin, OH 45005 USA. [Zidan, Ragaiy] Savannah River Natl Lab, Energy Secur Directorate, Aiken, SC 29808 USA. [Stowe, Ashley C.] Y 12 Natl Secur Complex, Oak Ridge, TN 37831 USA. [Hwang, Son-Jong; Kim, Chul] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Kim, Chul] Hannam Univ, Dept Chem, Taejon 305811, South Korea. RP Conradi, MS (reprint author), Washington Univ, Dept Phys, 1 Brookings Dr, St Louis, MO 63130 USA. EM msc@wuphys.wustl.edu NR 35 TC 16 Z9 16 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 22 PY 2009 VL 113 IS 42 BP 18414 EP 18419 PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 505ED UT WOS:000270671100059 ER PT J AU Thompson, AP Plimpton, SJ Mattson, W AF Thompson, Aidan P. Plimpton, Steven J. Mattson, William TI General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SIMULATIONS; EWALD; FORCE AB Three distinct forms are derived for the force virial contribution to the pressure and stress tensor of a collection of atoms interacting under periodic boundary conditions. All three forms are written in terms of forces acting on atoms, and so are valid for arbitrary many-body interatomic potentials. All three forms are mathematically equivalent. In the special case of atoms interacting with pair potentials, they reduce to previously published forms. (i) The atom-cell form is similar to the standard expression for the virial for a finite nonperiodic system, but with an explicit correction for interactions with periodic images. (ii) The atom form is particularly suited to implementation in modern molecular dynamics simulation codes using spatial decomposition parallel algorithms. (iii) The group form of the virial allows the contributions to the virial to be assigned to individual atoms. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3245303] C1 [Thompson, Aidan P.; Plimpton, Steven J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Mattson, William] USA, Res Lab, Weap & Mat Res Directorate, Aberdeen Proving Ground, MD 21005 USA. RP Thompson, AP (reprint author), Sandia Natl Labs, POB 5800,MS 1110, Albuquerque, NM 87185 USA. EM athomps@sandia.gov FU Laboratory Directed Research and Development program at Sandia National Laboratories; United States Department of Energy [DE-AC04-94AL85000]; Department of Defense High Performance Computing Modernization Program Software Application Institute for Multiscale Reactive Modeling of Insensitive Munitions FX This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories, a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the United States Department of Energy, under Contract No. DE-AC04-94AL85000. This work was supported in part by the Department of Defense High Performance Computing Modernization Program Software Application Institute for Multiscale Reactive Modeling of Insensitive Munitions. NR 11 TC 86 Z9 87 U1 6 U2 36 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD OCT 21 PY 2009 VL 131 IS 15 AR 154107 DI 10.1063/1.3245303 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 512CA UT WOS:000271219000010 PM 20568847 ER PT J AU Cowee, MM Winske, D Gary, SP AF Cowee, M. M. Winske, D. Gary, S. P. TI Two-dimensional hybrid simulations of superdiffusion at the magnetopause driven by Kelvin-Helmholtz instability SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID KINETIC SIMULATION; ION-TRANSPORT; BOUNDARY; PLASMA; VORTEX; TURBULENCE; DIFFUSION AB This paper describes the self-consistent simulation of plasma transport across the magnetic field at the magnetopause driven by Kelvin-Helmholtz (KH) instability. Two-dimensional hybrid (kinetic ions, fluid electrons) simulations of the most KH-unstable configuration where the shear flow is oriented perpendicular to the uniform magnetic field are carried out. The motion of the simulation particles is tracked during the run in order to calculate their mean-square displacement normal to the initial magnetopause surface, from which diffusion coefficients may be determined. The diffusion coefficients are found to be time dependent, with D alpha t(alpha), where alpha > 0. Additionally, the probability distribution functions (PDF) of the "jump lengths'' the particles make over time are found to be non-Gaussian. Such time-dependent diffusion coefficients and non-Gaussian PDFs have been associated with so-called "superdiffusion,'' in which diffusive mixing of particles is enhanced over classical diffusion. The results indicate that while smaller-scale turbulence associated with the breakdown of vortices contributes to this enhanced diffusion, the growth of large-scale, coherent vortices is the more important process in facilitating it. C1 [Cowee, M. M.; Winske, D.; Gary, S. P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Cowee, MM (reprint author), Los Alamos Natl Lab, Mail Stop D466,Grp ISR-1, Los Alamos, NM 87545 USA. EM mcowee@lanl.gov NR 21 TC 21 Z9 21 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD OCT 21 PY 2009 VL 114 AR A10209 DI 10.1029/2009JA014222 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 510ZV UT WOS:000271134000004 ER PT J AU Wang, TJ Hoy, JA Lamm, MH Nilsen-Hamilton, M AF Wang, Tianjiao Hoy, Julie A. Lamm, Monica H. Nilsen-Hamilton, Marit TI Computational and Experimental Analyses Converge to Reveal a Coherent Yet Malleable Aptamer Structure That Controls Chemical Reactivity SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MALACHITE GREEN; LEUCOMALACHITE GREEN; MOLECULAR-DYNAMICS; BINDING MECHANISM; LIGAND-BINDING; B6C3F(1) MICE; RNA DYNAMICS; INDUCED-FIT; RECOGNITION; RESOLUTION AB As short nucleic acids, aptamers in solution are believed to be structurally flexible Consistent with this view, most aptamers examined for this property have been shown to bind their target molecules by mechanisms that can be described as "induced fit". But, it is not known to what extent this. structural flexibility affects the integrity of the target-aptamer interaction Using the malachite green aptarner (MGA) as a model system, we show that the MGA can protect its bound target, malachite green (MG), from oxidation over several days Protection is reversed by an oligonucleotide complementary to the MGA binding pocket. Computational cavity analysis of the MGA-MG structure predicted that IVIG oxidation is protected because a molecule as small as an OH(-) is sterically excluded from the C1 position of the bound IVIG These results suggest that, while the MGA-MG interface is sufficiently coherent to prevent OH- penetration, the bases involved in the interaction are sufficiently mobile that they can exchange out of the IVIG binding interface to hybridize with a complementary oligonucleotide The computational predictions were confirmed experimentally using variants of the MGA with single base changes in the binding pocket. This work demonstrates the successful application of molecular dynamics simulations and cavity analysis in determining the effects of sequence variations on the structure of a small single-stranded nucleic acid It also shows that a nucleic acid aptamer can control access to specific chemical groups on its target, which suggests that aptamers might be applied for selectively protecting small molecules from modification C1 [Wang, Tianjiao; Nilsen-Hamilton, Marit] Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA. [Hoy, Julie A.] Iowa State Univ, Macromol Xray Crystallog Facil, Off Biotechnol, Ames, IA 50011 USA. [Lamm, Monica H.] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. [Wang, Tianjiao; Nilsen-Hamilton, Marit] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Nilsen-Hamilton, M (reprint author), Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA. RI Wang, Tianjiao/B-6154-2013 FU Department of Energy-Biological Systems Science Division, Office of Energy Science Research [DE-AC02-07CH11358] FX Work at the Ames Laboratory was supported by the Department of Energy-Biological Systems Science Division, Office of Energy Science Research Under Contract No. DE-AC02-07CH11358. We thank Mark Hargrove and Amy Andreotti for useful advice and Gaya Amarasinghe for the same and also for help in interpreting the NMR data for the MGA variants We also thank Bruce Fulton in the Biomolecular Structure Facility and Kamel Harrata and Shu Xu in the Chemical Instrumentation Facility at Iowa State University for their technical support and advice in the NMR and mass spectrometry experiments. We thank Aimin Yan for his help on statistical analysis We also thank the journal's anonymous reviewers for their insightful comments. NR 40 TC 11 Z9 11 U1 2 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 21 PY 2009 VL 131 IS 41 BP 14747 EP 14755 DI 10.1021/ja902719q PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 512SV UT WOS:000271271800046 PM 19778045 ER PT J AU Du, SY Francisco, JS Schenter, GK Garrett, BC AF Du, Shiyu Francisco, Joseph S. Schenter, Gregory K. Garrett, Bruce C. TI Interaction of ClO Radical with Liquid Water SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID TRANSFERABLE INTERACTION MODELS; ANTARCTIC OZONE DEPLETION; COUPLED-CLUSTER THEORY; PARTICLE MESH EWALD; MOLECULAR-DYNAMICS; CHLORINE OXIDE; 1ST PRINCIPLES; ELECTRON CORRELATION; AIR/WATER INTERFACE; MASS ACCOMMODATION AB In the present work, the interaction between ClO radical and liquid water is studied using molecular dynamics simulations. We perform simulations of collisions of a ClO radical with the surface of liquid water to understand the accommodation of ClO by liquid water. Simulation results show that the ClO radical has a higher propensity to be adsorbed on the air-water interface than to be dissolved in the bulk The free energy profile is also calculated, and the solvation free energy and Henry's law constant are determined for ClO as Delta G(s) of -2.9 kcal/mol and 5.5 M/atm, respectively The mechanism of the ClO recombination reaction is also discussed, and the results are consistent with laboratory findings. C1 [Du, Shiyu; Francisco, Joseph S.] Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA. [Du, Shiyu; Francisco, Joseph S.] Purdue Univ, Dept Earth & Atmospher Sci, W Lafayette, IN 47907 USA. [Schenter, Gregory K.; Garrett, Bruce C.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. RP Francisco, JS (reprint author), Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA. EM francisc@purdue.edu RI Garrett, Bruce/F-8516-2011; Schenter, Gregory/I-7655-2014 OI Schenter, Gregory/0000-0001-5444-5484 FU Chemical Sciences Division, Office of Basic Energy Sciences, Department of Energy FX We would like to thank Collin D Wick and Tsun-Mei Chang for their assistance. Work by B C.G and G K.S. was supported by the Chemical Sciences Division, Office of Basic Energy Sciences, Department of Energy. The Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy. NR 60 TC 6 Z9 6 U1 5 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 21 PY 2009 VL 131 IS 41 BP 14778 EP 14785 DI 10.1021/ja9033186 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 512SV UT WOS:000271271800050 PM 19788303 ER PT J AU Shen, TY Langan, P French, AD Johnson, GP Gnanakaran, S AF Shen, Tongye Langan, Paul French, Alfred D. Johnson, Glenn P. Gnanakaran, S. TI Conformational Flexibility of Soluble Cellulose Oligomers: Chain Length and Temperature Dependence SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; SYNCHROTRON X-RAY; MOLECULAR-DYNAMICS SIMULATIONS; CRYSTAL-STRUCTURE; DISACCHARIDE CONFORMATION; QUANTUM-MECHANICS; AQUEOUS-SOLUTION; FORCE-FIELD; WATER AB Structures, dynamics, and stabilities of different sized cellulosic oligomers need to be considered when designing enzymatic cocktails for the conversion of biomass to biofuels since they can be both productive substrates and inhibitors of the overall process. In the present work, the conformational variability, hydrogen bonding, and mechanical properties of short, soluble cellulose chains are investigated as a function of chain length. Cellulose oligomers consisting 2, 4, and 6 beta-D-glucose units are examined in explicit solvent using replica exchange molecular dynamics (REMD) which provides a rigorous evaluation of the relative stabilities of different conformations and their temperature dependencies. This application of REMD to oligosaccharides in solution also allows evaluation of the quality of the force-field and its suitability for sampling carbohydrates efficiently. Simulation results are analyzed in synergy with polymer theory and compared to known measurements of oligomers and crystals. As the chain length is increased, the conformations of the oligomers become more rigid and likely to form intrachain hydrogen bonds, like those found in crystals. Several other conformations and hydrogen bonding patterns distinguish these short cellulose chains from those in cellulose crystals. These studies have also addressed the key role played by solvent on shifting the conformational preferences of the oligosacchandes with respect to vacuum and crystals. Correlation between pyranose ring flipping and the conformation of the 1,4-glycosidic bond was observed. C1 [Shen, Tongye; Gnanakaran, S.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. [Shen, Tongye] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [French, Alfred D.; Johnson, Glenn P.] ARS, USDA, SRRC, Cotton Struct & Qual Res Unit, New Orleans, LA 70124 USA. RP Gnanakaran, S (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp, POB 1663, Los Alamos, NM 87545 USA. RI Shen, Tongye/A-9718-2008; Langan, Paul/N-5237-2015; OI Shen, Tongye/0000-0003-1495-3104; Langan, Paul/0000-0002-0247-3122; Gnanakaran, S/0000-0002-9368-3044 FU United States Department of Energy and Center for Nonlinear Studies; U.S. Department of Agriculture [6435-44000-070-00D] FX We thank Dr. R. J Woods for very helpful discussions on the GLYCAM force-field We would also like to thank Dr M. Mustyakrmov, Dr. D. Fox. and other members of the cellulosic biofuels team at I-os Alamos National Lab for their Support. This work Was Supported in pail by an LANL-LDRD grant from the United States Department of Energy and Center for Nonlinear Studies Funding for A.D.F. and G.P.J. was from the U.S. Department of Agriculture, Agricultural Research Service project 6435-44000-070-00D. NR 62 TC 68 Z9 68 U1 4 U2 34 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 21 PY 2009 VL 131 IS 41 BP 14786 EP 14794 DI 10.1021/ja9034158 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 512SV UT WOS:000271271800051 PM 19824731 ER PT J AU Jeltema, TE Gerke, BF Laird, ES Willmer, CNA Coil, AL Cooper, MC Davis, M Nandra, K Newman, JA AF Jeltema, Tesla E. Gerke, Brian F. Laird, Elise S. Willmer, Christopher N. A. Coil, Alison L. Cooper, Michael C. Davis, Marc Nandra, Kirpal Newman, Jeffrey A. TI Groups of galaxies in AEGIS: the 200-ks Chandra extended X-ray source catalogue SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: active; galaxies: clusters: general; X-rays: galaxies: clusters ID INTERMEDIATE-REDSHIFT GROUPS; DIGITAL SKY SURVEY; GROTH STRIP; STATISTICAL PROPERTIES; DATA RELEASE; TO 1; CLUSTERS; FIELD; EVOLUTION; SAMPLE AB We present the discovery of seven X-ray emitting groups of galaxies selected as extended X-ray sources in the 200-ks Chandra coverage of the All-wavelength Extended Groth Strip International Survey (AEGIS). In addition, we report on active galactic nucleus (AGN) activity associated with these systems. For the six extended sources which lie within the Deep Extragalactic Evolutionary Probe 2 (DEEP2) Galaxy Redshift Survey coverage, we identify optical counterparts and determine velocity dispersions. In particular, we find three massive high-redshift groups at z > 0.7, one of which is at z = 1.13, the first X-ray detections of spectroscopically selected DEEP2 groups. We also present a first look at the L(X)-T, L(X)-Sigma and Sigma-T scaling relations for high-redshift massive groups. We find that the properties of these X-ray selected systems agree well with the scaling relations of similar systems at low redshift, although there are X-ray undetected groups in the DEEP2 catalogue with similar velocity dispersions. The other three X-ray groups with identified redshifts are associated with lower mass groups at z similar to 0.07 and together form part of a large structure or 'supergroup' in the southern portion of the AEGIS field. Similar to other X-ray-luminous groups, all of the low-redshift systems are centred on massive elliptical galaxies, and all of the high-redshift groups have likely central galaxies or galaxy pairs. Interestingly, the central galaxies in the highest redshift system show indications of ongoing star formation. All of the central group galaxies host X-ray point sources, radio sources and/or show optical AGN emission. Particularly interesting examples of central AGN activity include a bent-double radio source plus X-ray point source at the centre of a group at z = 0.74, extended radio and double X-ray point sources associated with the central galaxy in the lowest redshift group at z = 0.066, and a bright green valley galaxy (part of a pair) in the z = 1.13 group which shows optical AGN emission lines. C1 [Gerke, Brian F.] SLAC, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94725 USA. [Laird, Elise S.; Nandra, Kirpal] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Astrophys Grp, London SW7 2AZ, England. [Willmer, Christopher N. A.; Cooper, Michael C.] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Coil, Alison L.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Coil, Alison L.] Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. [Davis, Marc] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Newman, Jeffrey A.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. EM tesla@ucolick.org FU National Aeronautics and Space Administration [AR9-0017X, NAS8-03060]; Alexander F. Morrison Fellowship; University of California; Department of Energy [DE-AC3-76SF00515]; UK Science and Technology Facilities Council FX We would like to sincerely thank the anonymous referee for their comments which led to several improvements in the paper. We would also like to thank members of the AEGIS team, particularly D. Rosario and Rob Ivison, for their advice and support with the multiwavelength data. Support for this work was provided by the National Aeronautics and Space Administration through Chandra Award Number AR9-0017X issued by the Chandra X-ray Observatory Centre, which is operated by the Smithsonian Astrophysical Observatory for and on behalf of the National Aeronautics Space Administration under contract NAS8-03060. TEJ is grateful for support from the Alexander F. Morrison Fellowship, administered through the University of California Observatories and the Regents of the University of California. BFG was supported by the US Department of Energy under contract number DE-AC3-76SF00515. Support for MCC was provided by NASA through the Spitzer Space Telescope Fellowship Program. ESL acknowledges financial support from the UK Science and Technology Facilities Council. This study makes use of data from AEGIS, a multiwavelength sky survey conducted with the Chandra, GALEX, Hubble, Keck, CFHT, MMT, Subaru, Palomar, Spitzer, VLA and other telescopes and supported in part by the NSF, NASA and the STFC. NR 56 TC 12 Z9 12 U1 0 U2 0 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD OCT 21 PY 2009 VL 399 IS 2 BP 715 EP 727 DI 10.1111/j.1365-2966.2009.15377.x PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 505AW UT WOS:000270661300017 ER PT J AU Skibba, RA Bamford, SP Nichol, RC Lintott, CJ Andreescu, D Edmondson, EM Murray, P Raddick, MJ Schawinski, K Slosar, A Szalay, AS Thomas, D Vandenberg, J AF Skibba, Ramin A. Bamford, Steven P. Nichol, Robert C. Lintott, Chris J. Andreescu, Dan Edmondson, Edward M. Murray, Phil Raddick, M. Jordan Schawinski, Kevin Slosar, Anze Szalay, Alexander S. Thomas, Daniel Vandenberg, Jan TI Galaxy Zoo: disentangling the environmental dependence of morphology and colour star SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods: statistical; galaxies: clusters: general; galaxies: evolution; galaxies: haloes; galaxies: structure; large-scale structure of Universe ID DIGITAL-SKY-SURVEY; STELLAR MASS FUNCTIONS; DARK-MATTER HALOES; REDSHIFT SURVEY; DATA RELEASE; MERGER RATE; LUMINOSITY FUNCTION; PHYSICAL-PROPERTIES; DENSITY RELATION; SPIRAL GALAXIES AB We analyse the environmental dependence of galaxy morphology and colour with two-point clustering statistics, using data from the Galaxy Zoo, the largest sample of visually classified morphologies yet compiled, extracted from the Sloan Digital Sky Survey. We present two-point correlation functions of spiral and early-type galaxies, and we quantify the correlation between morphology and environment with marked correlation functions. These yield clear and precise environmental trends across a wide range of scales, analogous to similar measurements with galaxy colours, indicating that the Galaxy Zoo classifications themselves are very precise. We measure morphology marked correlation functions at fixed colour and find that they are relatively weak, with the only residual correlation being that of red galaxies at small scales, indicating a morphology gradient within haloes for red galaxies. At fixed morphology, we find that the environmental dependence of colour remains strong, and these correlations remain for fixed morphology and luminosity. An implication of this is that much of the morphology-density relation is due to the relation between colour and density. Our results also have implications for galaxy evolution: the morphological transformation of galaxies is usually accompanied by a colour transformation, but not necessarily vice versa. A spiral galaxy may move on to the red sequence of the colour-magnitude diagram without quickly becoming an early type. We analyse the significant population of red spiral galaxies, and present evidence that they tend to be located in moderately dense environments and are often satellite galaxies in the outskirts of haloes. Finally, we combine our results to argue that central and satellite galaxies tend to follow different evolutionary paths. C1 [Skibba, Ramin A.] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Bamford, Steven P.; Nichol, Robert C.; Edmondson, Edward M.; Thomas, Daniel] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 2EG, Hants, England. [Bamford, Steven P.] Univ Nottingham, Ctr Astron & Particle Theory, Nottingham NG7 2RD, England. [Lintott, Chris J.] Univ Oxford, Oxford OX1 3RH, England. [Andreescu, Dan] LinkLab, Bronx, NY 10471 USA. [Murray, Phil] Fingerprint Digital Media, Newtownards BT23 7GY, Down, North Ireland. [Raddick, M. Jordan; Szalay, Alexander S.; Vandenberg, Jan] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Schawinski, Kevin] Yale Univ, Yale Ctr Astron & Astrophys, New Haven, CT 06520 USA. [Slosar, Anze] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA. [Slosar, Anze] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Skibba, RA (reprint author), Max Planck Inst Astron, Konigstuhl 17, D-69117 Heidelberg, Germany. EM skibba@mpia.de RI Bamford, Steven/E-8702-2010; OI Bamford, Steven/0000-0001-7821-7195; Schawinski, Kevin/0000-0001-5464-0888 FU NASA [NNG05GA60G.]; Alfred P. Sloan Foundation; Participating Institutions; National Science Foundation,; US Department of Energy; Japanese Monbukagakusho; Max Planck Society; Higher Education Funding Council for England. FX The SDSS is managed by the Astrophysical Research Consortium for the Participating Institutions. The Participating Institutions are the American Museum of Natural History, Astrophysical Institute Potsdam, University of Basel, Cambridge University, Case Western Reserve University, University of Chicago, Drexel University, Fermilab, the Institute for Advanced Study, the Japan Participation Group, Johns Hopkins University, the Joint Institute for Nuclear Astrophysics, the Kavli Institute for Particle Astrophysics and Cosmology, the Korean Scientist Group, the Chinese Academy of Sciences (LAMOST), Los Alamos National Laboratory, the Max-Planck-Institute for Astronomy (MPA), the MaxPlanck-Institute for Astrophysics (MPIA), New Mexico State University, Ohio State University, University of Pittsburgh, University of Portsmouth, Princeton University, the United States Naval Observatory and the University of Washington. NR 92 TC 118 Z9 121 U1 0 U2 1 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD OCT 21 PY 2009 VL 399 IS 2 BP 966 EP 982 DI 10.1111/j.1365-2966.2009.15334.x PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 505AW UT WOS:000270661300041 ER PT J AU Moses, WW AF Moses, William W. TI Photodetectors for nuclear medical imaging SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Photodetectors; PET; SPECT; Photomultiplier tube; HPD; GAPD ID TIME-OF-FLIGHT; SILICON PHOTOMULTIPLIER; PET; SCINTILLATOR; PHOTODIODES; PROSPECTS AB There have been a number of recent advances in hotodetector technology, notably in photomultiplier tubes with high quantum efficiency (up to similar to 50%), hybrid photodetectors, and silicon-based Geiger-mode photodetectors. This paper looks at the potential benefits that these technologies can bring to nuclear medicine, notably single photon emission computed tomography (SPECT) and positron emission tomography (PET). We find that while the potential benefits to SPECT are relatively small, they can bring performance improvements in many areas for PET. Published by Elsevier B.V. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Moses, WW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mailstop 55-121-1 Cyclotron Rd, Berkeley, CA 94720 USA. EM wwmoses@lbl.gov FU US Department of Energy [DE-AC02-05CH11231]; National Institutes of Health [R01-EB006085] FX This work was supported in part by the Director, Office of Science, Office of Biological and Environmental Research, Medical Science Division of the US Department of Energy under Contract no. DE-AC02-05CH11231, and in part by the National Institutes of Health, National Institute of Biomedical Imaging and Bioengineering under grant no. R01-EB006085. NR 21 TC 7 Z9 7 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 21 PY 2009 VL 610 IS 1 BP 11 EP 15 DI 10.1016/j.nima.2009.05.032 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 534CT UT WOS:000272873800003 PM 20161403 ER PT J AU Moses, WW Choong, WS Hull, G Payne, S Cherepy, N Valentine, JD AF Moses, William W. Choong, Woon-Seng Hull, Giulia Payne, Steve Cherepy, Nerine Valentine, John D. TI Photodetectors for scintillator proportionality measurement SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Scintillator non-proportionality; Photodetectors; Photomultiplier tubes; Hybrid photodetectors ID INTRINSIC ENERGY RESOLUTION; PHOTOMULTIPLIER TUBE; PHOTODIODES; CALIBRATION; CRYSTALS; FACILITY; DESIGN AB We evaluate photodetectors for use in a Compton Coincidence apparatus designed for measuring scintillator proportionality. There are many requirements placed on the photodetector in these systems, including active area, linearity, and the ability to accurately measure low light levels (which implies high quantum efficiency and high signal-to-noise ratio). Through a combination of measurement and Monte Carlo simulation, we evaluate a number of potential photodetectors, especially photomultiplier tubes and hybrid photodetectors. Of these, we find that the most promising devices available are photomultiplier tubes with high (similar to 50%) quantum efficiency, although hybrid photodetectors with high quantum efficiency would be preferable. Published by Elsevier B.V. C1 [Moses, William W.; Choong, Woon-Seng] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Hull, Giulia; Payne, Steve; Cherepy, Nerine; Valentine, John D.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Moses, WW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM wwmoses@lbl.gov RI Cherepy, Nerine/F-6176-2013 OI Cherepy, Nerine/0000-0001-8561-923X FU US Department of Energy [DE-AC02-05CH11231, NNSA LB06-316-PD05/NN2001000, DE-AC52-07NA27344]; Domestic Nuclear Detection Office of the Department of Homeland Security FX This work is supported in part by the National Nuclear Security Administration, Office of Defense Nuclear Nonproliferation, Office of Nuclear Nonproliferation Research and Engineering (NA-22) of the US Department of Energy under Contract no. DE-AC02-05CH11231, Grant no. NNSA LB06-316-PD05/NN2001000, and in part under the auspices of the US Department of Energy Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and by the Domestic Nuclear Detection Office of the Department of Homeland Security. NR 27 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 21 PY 2009 VL 610 IS 1 BP 45 EP 49 DI 10.1016/j.nima.2009.05.057 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 534CT UT WOS:000272873800011 ER PT J AU Barton, P Stapels, C Johnson, E Christian, J Moses, WW Janecek, M Wehe, D AF Barton, Paul Stapels, Christopher Johnson, Erik Christian, James Moses, William W. Janecek, Martin Wehe, David TI Effect of SSPM surface coating on light collection efficiency and optical crosstalk for scintillation detection SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Silicon photomultipliers; Scintillation detectors; Optical system design AB As part of a project to develop a complete stochastic model of the solid state photomultiplier (SSPM), we simulated the effects of a reflective layer in the non-active region which reflects photons back into the crystal for a second chance at detection. The scintillation photon collection efficiency of the proposed device is greater than that predicted by the scintillation yield and the ratio of active area. The added reflectivity also increases external optical crosstalk from hot carrier emissions and the collection efficiency for these photons was simulated to be of the same order as the scintillation photon collection efficiency. As a function of excess bias, the rate of hot carrier emissions will rise more rapidly than the photon detection efficiency (PDE), setting a practical upper limit on the applied bias. Due to spectral mismatch between detection and avalanche emission, a blue-sensitve SSPM will be largely transparent to its own emissions. The spatial dependence of externally reflected hot carrier emissions was determined to be approximately uniform. (C) 2009 Elsevier B.V. All rights reserved. C1 [Barton, Paul; Wehe, David] Univ Michigan, Ann Arbor, MI 48109 USA. [Stapels, Christopher; Johnson, Erik; Christian, James] Radiat Monitoring Devices Inc, Watertown, MA 02172 USA. [Moses, William W.; Janecek, Martin] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Barton, P (reprint author), Univ Michigan, Ann Arbor, MI 48109 USA. EM pbarton@umich.edu FU National Nuclear Security Administration; Office of Defense Nuclear Nonproliferation, Office of Nonproliferation Research and Development [NA22]; US Department of Energy [DE-AC0205CH11231] FX This work was supported in part by the National Nuclear Security Administration, Office of Defense Nuclear Nonproliferation, Office of Nonproliferation Research and Development (NA22) of the US Department of Energy under Contract no. DE-AC0205CH11231. NR 7 TC 2 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 21 PY 2009 VL 610 IS 1 BP 393 EP 396 DI 10.1016/j.nima.2009.05.187 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 534CT UT WOS:000272873800101 ER PT J AU Erdelyi, B AF Erdelyi, B. TI A comprehensive study of the most likely path formalism for proton-computed tomography SO PHYSICS IN MEDICINE AND BIOLOGY LA English DT Article ID MULTIPLE-SCATTERING; PARTICLE; FIELDS AB We investigate some generalizations of the most likely path formalism developed for proton-computed tomography. The stochastic path of a proton inside a homogeneous medium is replaced by a deterministic smooth path that maximizes the probability of the proton passing through the points on this curve, given measured entrance and exit parameters for each individual proton. We study various factors that influence this curve and the associated error envelopes. These factors are the influence of the energy loss, a logarithmic correction factor in the small angle Coulomb scattering and the importance of path length versus material thickness. We develop a method for further constraining the possible proton paths by including energy information in the derivation of the most likely path, utilizing an infinite-dimensional constrained functional analysis method. It is shown that while there is an additional uncertainty on the most likely path that is difficult to determine experimentally, the associated error envelopes are smaller, resulting in possibly slightly improved spatial resolution for proton-computed tomography. C1 [Erdelyi, B.] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Erdelyi, B.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Erdelyi, B (reprint author), No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. EM erdelyi@nicadd.niu.edu NR 16 TC 11 Z9 11 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0031-9155 J9 PHYS MED BIOL JI Phys. Med. Biol. PD OCT 21 PY 2009 VL 54 IS 20 BP 6095 EP 6122 DI 10.1088/0031-9155/54/20/005 PG 28 WC Engineering, Biomedical; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Radiology, Nuclear Medicine & Medical Imaging GA 503TO UT WOS:000270563300005 PM 19779216 ER PT J AU Freedman, WL Burns, CR Phillips, MM Wyatt, P Persson, SE Madore, BF Contreras, C Folatelli, G Gonzalez, ES Hamuy, M Hsiao, E Kelson, DD Morrell, N Murphy, DC Roth, M Stritzinger, M Sturch, L Suntzeff, NB Astier, P Balland, C Bassett, B Boldt, L Carlberg, RG Conley, AJ Frieman, JA Garnavich, PM Guy, J Hardin, D Howell, DA Kessler, R Lampeitl, H Marriner, J Pain, R Perrett, K Regnault, N Riess, AG Sako, M Schneider, DP Sullivan, M Wood-Vasey, M AF Freedman, Wendy L. Burns, Christopher R. Phillips, M. M. Wyatt, Pamela Persson, S. E. Madore, Barry F. Contreras, Carlos Folatelli, Gaston Gonzalez, E. Sergio Hamuy, Mario Hsiao, Eric Kelson, Daniel D. Morrell, Nidia Murphy, D. C. Roth, Miguel Stritzinger, Maximilian Sturch, Laura Suntzeff, Nick B. Astier, P. Balland, C. Bassett, Bruce Boldt, Luis Carlberg, R. G. Conley, Alexander J. Frieman, Joshua A. Garnavich, Peter M. Guy, J. Hardin, D. Howell, D. Andrew Kessler, Richard Lampeitl, Hubert Marriner, John Pain, R. Perrett, Kathy Regnault, N. Riess, Adam G. Sako, Masao Schneider, Donald P. Sullivan, Mark Wood-Vasey, Michael TI THE CARNEGIE SUPERNOVA PROJECT: FIRST NEAR-INFRARED HUBBLE DIAGRAM TO z similar to 0.7 SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology: observations; distance scale; supernovae: general ID DIGITAL SKY SURVEY; HIGH-REDSHIFT SUPERNOVAE; IA LIGHT CURVES; 2-PARAMETER LUMINOSITY CORRECTION; PROBE WMAP OBSERVATIONS; SPACE-TELESCOPE; DARK ENERGY; ACCELERATING UNIVERSE; STANDARD STARS; IMAGE SUBTRACTION AB The Carnegie Supernova Project (CSP) is designed to measure the luminosity distance for Type Ia supernovae (SNe Ia) as a function of redshift, and to set observational constraints on the dark energy contribution to the total energy content of the universe. The CSP differs from other projects to date in its goal of providing an I-band rest-frame Hubble diagram. Here, we present the first results from near-infrared observations obtained using the Magellan Baade telescope for SNe Ia with 0.1 < z < 0.7. We combine these results with those from the low-redshift CSP at z < 0.1. In this paper, we describe the overall goals of this long-term program, the observing strategy, data reduction procedures, and treatment of systematic uncertainties. We present light curves and an I-band Hubble diagram for this first sample of 35 SNe Ia, and we compare these data to 21 new SNe Ia at low redshift. These data support the conclusion that the expansion of the universe is accelerating. When combined with independent results from baryon acoustic oscillations, these data yield Omega(m) = 0.27 +/- 0.02( statistical) and Omega(DE) = 0.76 +/- 0.13( statistical) +/- 0.09(systematic), for the matter and dark energy densities, respectively. If we parameterize the data in terms of an equation of state, omega (with no time dependence), assume a flat geometry, and combine with baryon acoustic oscillations, we find that omega = -1.05 +/- 0.13( statistical) +/- 0.09( systematic). The largest source of systematic uncertainty on w arises from uncertainties in the photometric calibration, signaling the importance of securing more accurate photometric calibrations for future supernova cosmology programs. Finally, we conclude that either the dust affecting the luminosities of SNe Ia has a different extinction law (R(V) = 1.8) than that in the Milky Way (where R(V) = 3.1), or that there is an additional intrinsic color term with luminosity for SNe Ia, independent of the decline rate. Understanding and disentangling these effects is critical for minimizing the systematic uncertainties in future SN Ia cosmology studies. C1 [Freedman, Wendy L.; Burns, Christopher R.; Wyatt, Pamela; Persson, S. E.; Madore, Barry F.; Kelson, Daniel D.; Murphy, D. C.; Sturch, Laura] Carnegie Observ, Pasadena, CA 91101 USA. [Phillips, M. M.; Contreras, Carlos; Folatelli, Gaston; Gonzalez, E. Sergio; Morrell, Nidia; Roth, Miguel; Stritzinger, Maximilian; Boldt, Luis] Las Campanas Observ, Carnegie Inst Washington, Colina El Pino, Chile. [Folatelli, Gaston; Hamuy, Mario] Univ Chile, Dept Astron, Santiago, Chile. [Hsiao, Eric] Univ Victoria, Dept Phys & Astron, Victoria, BC V8W 3P6, Canada. [Suntzeff, Nick B.] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. [Astier, P.; Balland, C.; Guy, J.; Hardin, D.; Pain, R.; Regnault, N.] Univ Paris 06, LPNHE, CNRS, IN2P3, F-75252 Paris 05, France. [Astier, P.; Balland, C.; Guy, J.; Hardin, D.; Pain, R.; Regnault, N.] Univ Paris 07, LPNHE, CNRS, IN2P3, F-75252 Paris 05, France. [Balland, C.] Coll France, APC, F-75005 Paris, France. [Bassett, Bruce] S African Astron Observ, ZA-7935 Observatory, South Africa. [Bassett, Bruce] Univ Cape Town, Dept Math & Appl Math, ZA-7701 Rondebosch, South Africa. [Carlberg, R. G.; Conley, Alexander J.; Perrett, Kathy] Univ Toronto, Dept Astron, Toronto, ON M5S 3H8, Canada. [Frieman, Joshua A.; Marriner, John] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Frieman, Joshua A.; Kessler, Richard] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Frieman, Joshua A.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Garnavich, Peter M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Howell, D. Andrew] Las Cumbres Observ Global Telescope Network, Goleta, CA 93117 USA. [Howell, D. Andrew] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Kessler, Richard] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Lampeitl, Hubert] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth P01 3FX, Hants, England. [Riess, Adam G.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Riess, Adam G.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Sako, Masao] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Sullivan, Mark] Univ Oxford, Dept Astrophys, Oxford OX1 3RH, England. [Wood-Vasey, Michael] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. RP Freedman, WL (reprint author), Carnegie Observ, 813 Santa Barbara St, Pasadena, CA 91101 USA. RI Folatelli, Gaston/A-4484-2011; Carlberg, Raymond/I-6947-2012; Hamuy, Mario/G-7541-2016; OI Carlberg, Raymond/0000-0002-7667-0081; Sullivan, Mark/0000-0001-9053-4820 NR 84 TC 66 Z9 66 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD OCT 20 PY 2009 VL 704 IS 2 BP 1036 EP 1058 DI 10.1088/0004-637X/704/2/1036 PG 23 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 502UQ UT WOS:000270486200003 ER PT J AU Alam, U Sahni, V Starobinsky, AA AF Alam, Ujjaini Sahni, Varun Starobinsky, Alexei A. TI RECONSTRUCTING COSMOLOGICAL MATTER PERTURBATIONS USING STANDARD CANDLES AND RULERS SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmological parameters; cosmology: theory; distance scale ID ANISOTROPY-PROBE OBSERVATIONS; GALAXY REDSHIFT SURVEY; HUBBLE-SPACE-TELESCOPE; DARK ENERGY; ACCELERATING UNIVERSE; ACOUSTIC-OSCILLATIONS; EXPANSION HISTORY; MODIFIED GRAVITY; SUPERNOVA DATA; CONSTRAINTS AB For a large class of dark energy (DE) models, for which the effective gravitational constant is a constant and there is no direct exchange of energy between DE and dark matter (DM), knowledge of the expansion history suffices to reconstruct the growth factor of linearized density perturbations in the non-relativistic matter component on scales much smaller than the Hubble distance. In this paper, we develop a non-parametric-method for extracting information about the perturbative growth factor from data pertaining to the luminosity or angular size distances. A comparison of the reconstructed density contrast with observations of large-scale structure and gravitational lensing can help distinguish DE models such as the cosmological constant and quintessence from models based on modified gravity theories as well as models in which DE and DM are either unified or interact directly. We show that for current supernovae (SNe) data, the linear growth factor at z = 0.3 can be constrained to 5% and the linear growth rate to 6%. With future SNe data, such as expected from the Joint Dark Energy Mission, we may be able to constrain the growth factor to 2%-3% and the growth rate to 3%-4% at z = 0.3 with this unbiased, model-independent reconstruction method. For future baryon acoustic oscillation data which would deliver measurements of both the angular diameter distance and the Hubble parameter, it should be possible to constrain the growth factor at z = 2.5%-9%. These constraints grow tighter with the errors on the data sets. With a large quantity of data expected in the next few years, this method can emerge as a competitive tool for distinguishing between different models of dark energy. C1 [Alam, Ujjaini] Los Alamos Natl Lab, ISR Div, ISR 1, Los Alamos, NM 87545 USA. [Sahni, Varun] Interuniv Ctr Astron & Astrophys, Pune 411007, Maharashtra, India. [Starobinsky, Alexei A.] LD Landau Theoret Phys Inst, Moscow 119334, Russia. [Starobinsky, Alexei A.] Univ Tokyo, Grad Sch Sci, RESCEU, Tokyo 1130033, Japan. RP Alam, U (reprint author), Los Alamos Natl Lab, ISR Div, ISR 1, POB 1663, Los Alamos, NM 87545 USA. EM ujjaini@lanl.gov; varun@iucaa.ernet.in; alstar@landau.ac.ru RI Sahni, Varun/H-3336-2012; OI Starobinsky, Alexei/0000-0002-8946-9088 FU RFBR [08-02-00923]; Russian Academy of Sciences; LDRD FX A. A. S. acknowledges RESCEU hospitality as a visiting professor. He was also partially supported by the grant RFBR 08-02-00923 and by the Scientific Programme "Astronomy" of the Russian Academy of Sciences. U. A. acknowledges support from the LDRD program at Los Alamos National Laboratory and useful discussions with S. Habib, D. Holz, and Z. Lukic. NR 97 TC 11 Z9 11 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD OCT 20 PY 2009 VL 704 IS 2 BP 1086 EP 1097 DI 10.1088/0004-637X/704/2/1086 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 502UQ UT WOS:000270486200006 ER PT J AU Hernandez, JA George, SJ Rubio, LM AF Hernandez, Jose A. George, Simon J. Rubio, Luis M. TI Molybdenum Trafficking for Nitrogen Fixation SO BIOCHEMISTRY LA English DT Review ID MOLYBDATE TRANSPORT OPERON; ABSORPTION FINE-STRUCTURE; ELECTRON-PARAMAGNETIC-RESONANCE; TRANSCRIPTIONAL REGULATOR MODE; IRON-SULFUR CLUSTERS; IN-VITRO SYNTHESIS; FEMO-CO PRECURSOR; AZOTOBACTER-VINELANDII; ESCHERICHIA-COLI; KLEBSIELLA-PNEUMONIAE AB The molybdenum nitrogenase is responsible for most biological nitrogen fixation, a prokaryotic metabolic process that determines the global biogeochemical cycles of nitrogen and carbon. Here we describe the trafficking of molybdenum for nitrogen Fixation in the model diazotrophic bacterium Azotobacter vinelandii. The genes and proteins involved in molybdenum uptake, homeostasis, storage, regulation, and nitrogenase cofactor biosynthesis are reviewed. Molybdenum biochemistry in A, vinelandii reveals unexpected mechanisms and a new role for iron-sulfur clusters in the sequestration and delivery of molybdenum. C1 [Rubio, Luis M.] Fdn IMDEA Energia, Unit Biochem Proc, Pozuelo De Alarcon 28223, Spain. [Hernandez, Jose A.] Midwestern Univ, Dept Biochem, Glendale, AZ 85308 USA. [George, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Biol & Environm Xray Facil, Berkeley, CA 94720 USA. RP Rubio, LM (reprint author), Fdn IMDEA Energia, Unit Biochem Proc, Campus Montegancedo UPM, Pozuelo De Alarcon 28223, Spain. EM luis.rubio@imdea.org RI Rubio, Luis/B-5827-2009 OI Rubio, Luis/0000-0003-1596-2475 FU ERC [205442]; Midwestern University Intramural Funds; National Institutes of Health [GM-65440] FX This work was supported by ERC Starting Grant 205442 (L.M.R.), by Midwestern University Intramural Funds (J.A.H.), and by National Institutes of Health Grant GM-65440 (SIG.). NR 114 TC 14 Z9 15 U1 1 U2 34 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD OCT 20 PY 2009 VL 48 IS 41 BP 9711 EP 9721 DI 10.1021/bi901217p PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 504DY UT WOS:000270595900003 PM 19772354 ER PT J AU da Veiga, LB Gyrya, V Lipnikov, K Manzini, G AF da Veiga, L. Beirao Gyrya, V. Lipnikov, K. Manzini, G. TI Mimetic finite difference method for the Stokes problem on polygonal meshes SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Incompressible Stokes equations; Mimetic discretization; Polygonal mesh ID DIFFUSION-PROBLEMS; POLYHEDRAL MESHES; GRIDS; CONVERGENCE; EQUATIONS; FAMILY AB Various approaches to extend finite element methods to non-traditional elements (general polygons, pyramids, polyhedra, etc.) have been developed over the last decade. The construction of basis functions for such elements is a challenging task and may require extensive geometrical analysis. The mimetic finite difference (MFD) method works on general polygonal meshes and has many similarities with low-order finite element methods. Both schemes try to preserve the fundamental properties of the underlying physical and mathematical models. The essential difference between the two schemes is that the MFD method uses only the surface representation of discrete unknowns to build the stiffness and mass matrices. Since no extension of basis functions inside the mesh elements is required, practical implementation of the MFD method is simple for polygonal meshes that may include degenerate and non-convex elements. In this article, we present a new MFD method for the Stokes problem on arbitrary polygonal meshes and analyze its stability. The method is developed for the general case of tensor coefficients, which allows us to apply it to a linear elasticity problem, as well. Numerical experiments show, for the velocity variable, second-order convergence in a discrete L 2 norm and first-order convergence in a discrete H(1) norm. For the pressure variable, first-order convergence is shown in the L 2 norm. (C) 2009 Elsevier Inc. All rights reserved. C1 [Gyrya, V.] Penn State Univ, Dept Math, University Pk, PA 16802 USA. [da Veiga, L. Beirao] Dipartimento Matemat F Enriques, I-20133 Milan, Italy. [Lipnikov, K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Manzini, G.] CNR, Ist Matemat Applicata & Tecnol Informat, I-27100 Pavia, Italy. RP Gyrya, V (reprint author), Penn State Univ, Dept Math, University Pk, PA 16802 USA. EM beirao@mat.unimi.it; gyrya@math.psu.edu; lipnikov@lanl.gov; Marco.Manzini@imati.cnr.it RI Beirao da Veiga, Lourenco/A-8080-2010; OI Manzini, Gianmarco/0000-0003-3626-3112; Gyrya, Vitaliy/0000-0002-5083-8878 NR 36 TC 49 Z9 49 U1 1 U2 10 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD OCT 20 PY 2009 VL 228 IS 19 BP 7215 EP 7232 DI 10.1016/j.jcp.2009.06.034 PG 18 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 491MF UT WOS:000269582300006 ER PT J AU Demircan, O Xu, CC Zondlo, J Finklea, HO AF Demircan, Oktay Xu, Chunchuan Zondlo, John Finklea, Harry O. TI In situ Van der Pauw measurements of the Ni/YSZ anode during exposure to syngas with phosphine contaminant SO JOURNAL OF POWER SOURCES LA English DT Article; Proceedings Paper CT 10th Symposium on Fast Ionic Conductors CY SEP 14-17, 2008 CL Grybow, POLAND DE SOFC; Van der Pauw method; Syngas; Phosphine; Degradation; Anode resistivity ID OXIDE FUEL-CELLS; YTTRIA-STABILIZED ZIRCONIA; PHOTOELECTRON-SPECTROSCOPY; COAL SYNGAS; SOFC ANODES; NICKEL; ELECTRODE; PERFORMANCE; PHOSPHORUS; PARAMETERS AB Solid oxide fuel cells (SOFCs) represent an option to provide a bridging technology for energy conversion (coal syngas) as well as a long-term technology (hydrogen from biomass). Whether the fuel is coal syngas or hydrogen from biomass, the effect of impurities on the performance of the anode is a vital question. The anode resistivity during SOFC operation with phosphine-contaminated syngas was studied using the in situ Van der Pauw method. Commercial anode-supported solid oxide fuel cells (Ni/YSZ composite anodes, YSZ electrolytes) were exposed to a synthetic coal syngas mixture (H(2), H(2)O, CO, and CO(2)) at a constant current and their performance evaluated periodically with electrochemical methods (cyclic voltammetry, impedance spectroscopy, and polarization curves). In one test, after 170 h of phosphine exposure, a significant degradation of cell performance (loss of cell voltage, increase of series resistance and increase of polarization resistance) was evident. The rate of voltage loss was 1.4 mV h(-1). The resistivity measurements on Ni/YSZ anode by the in situ Van der Pauvv method showed that there were no significant changes in anode resistivity both under clean syngas and syngas with 10 ppm PH(3). XRD analysis suggested that Ni(5)P(2) and P(2)O(5) are two compounds accumulated on the anode. XPS studies provided support for the presence of two phosphorus phases with different oxidation states on the external anode surface. Phosphorus, in a positive oxidation state, was observed in the anode active layer. Based on these observations, the effect of 10ppm phosphine impurity (or its reaction products with coal syngas) is assigned to the loss of performance of the Ni/YSZ active layer next to the electrolyte, and not to any changes in the thick Ni/YSZ support layer. (C) 2009 Elsevier B.V. All rights reserved. C1 [Demircan, Oktay; Finklea, Harry O.] W Virginia Univ, C Eugene Bennett Dept Chem, Morgantown, WV 26506 USA. [Xu, Chunchuan; Zondlo, John] W Virginia Univ, Dept Chem Engn, Morgantown, WV 26506 USA. [Finklea, Harry O.] US DOE, Natl Energy Technol Lab, Inst Adv Energy Studies, Morgantown, WV 26505 USA. RP Demircan, O (reprint author), W Virginia Univ, C Eugene Bennett Dept Chem, 217 Clark Hall Prospect St,POB 6045, Morgantown, WV 26506 USA. EM Oktay.Demircan@mail.wvu.edu NR 28 TC 8 Z9 8 U1 2 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD OCT 20 PY 2009 VL 194 IS 1 BP 214 EP 219 DI 10.1016/j.jpowsour.2009.04.071 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 491MZ UT WOS:000269584400029 ER PT J AU Zhang, RY Wang, L Khalizov, AF Zhao, J Zheng, J McGraw, RL Molina, LT AF Zhang, Renyi Wang, Lin Khalizov, Alexei F. Zhao, Jun Zheng, Jun McGraw, Robert L. Molina, Luisa T. TI Formation of nanoparticles of blue haze enhanced by anthropogenic pollution SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE aerosol; biogenic; climate; nucleation; forest ID IONIZATION MASS-SPECTROMETRY; ORGANIC AEROSOL FORMATION; PARTICLE FORMATION; ATMOSPHERIC OXIDATION; NUCLEATION; CHEMISTRY; ISOPRENE; GROWTH; CLUSTERS; VAPORS AB The molecular processes leading to formation of nanoparticles of blue haze over forested areas are highly complex and not fully understood. We show that the interaction between biogenic organic acids and sulfuric acid enhances nucleation and initial growth of those nanoparticles. With one cis-pinonic acid and three to five sulfuric acid molecules in the critical nucleus, the hydrophobic organic acid part enhances the stability and growth on the hydrophilic sulfuric acid counterpart. Dimers or heterodimers of biogenic organic acids alone are unfavorable for new particle formation and growth because of their hydrophobicity. Condensation of low-volatility organic acids is hindered on nano-sized particles, whereas ammonia contributes negligibly to particle growth in the size range of 3-30 nm. The results suggest that initial growth from the critical nucleus to the detectable size of 2-3 nm most likely occurs by condensation of sulfuric acid and water, implying that anthropogenic sulfur emissions (mainly from power plants) strongly influence formation of terrestrial biogenic particles and exert larger direct and indirect climate forcing than previously recognized. C1 [Zhang, Renyi; Wang, Lin; Khalizov, Alexei F.; Zhao, Jun; Zheng, Jun] Texas A&M Univ, Dept Atmospher Sci, College Stn, TX 77843 USA. [Zhang, Renyi; Wang, Lin; Khalizov, Alexei F.; Zhao, Jun; Zheng, Jun] Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA. [McGraw, Robert L.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. [Molina, Luisa T.] Molina Ctr Energy & Environm, La Jolla, CA 92093 USA. [Molina, Luisa T.] MIT, Cambridge, MA 02139 USA. RP Zhang, RY (reprint author), Texas A&M Univ, Dept Atmospher Sci, College Stn, TX 77843 USA. EM zhang@ariel.met.tamu.edu RI Khalizov, Alexei/E-9024-2010; Zhang, Renyi/A-2942-2011; Zheng, Jun/E-6772-2010; Zhao, Jun/C-8565-2009 OI Khalizov, Alexei/0000-0003-3817-7568; Zhao, Jun/0000-0002-3340-4816 FU Robert A. Welch Foundation [A-1417]; China National Natural Science Foundation [40728006]; Department of Energy Atmospheric Sciences Program FX We thank the use of the Laboratory for Molecular Simulations at Texas A&M University, and Dr. Lisa M. Perez for assistance with the calculations. This work was supported by the Robert A. Welch Foundation Grant A-1417 and the China National Natural Science Foundation Grant 40728006, and the Department of Energy Atmospheric Sciences Program (to R. L. M.). NR 36 TC 127 Z9 129 U1 13 U2 102 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD OCT 20 PY 2009 VL 106 IS 42 BP 17650 EP 17654 DI 10.1073/pnas.0910125106 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 508UR UT WOS:000270963100011 PM 19815498 ER PT J AU Chan, CM Zhou, C Brunzelle, JS Huang, RH AF Chan, Chio Mui Zhou, Chun Brunzelle, Joseph S. Huang, Raven H. TI Structural and biochemical insights into 2 '-O-methylation at the 3 '-terminal nucleotide of RNA by Hen1 SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE RNA interference; RNA methylation; RNA repair; X-ray crystallography ID ARGONAUTE SILENCING COMPLEX; PLANT MICRORNA BIOGENESIS; DOUBLE-STRANDED-RNA; CRYSTAL-STRUCTURE; METHYLTRANSFERASE; RECOGNITION; CLEAVAGE; PROTEIN; RISC; DNA AB Small RNAs of approximate to 20-30 nt have diverse and important biological roles in eukaryotic organisms. After being generated by Dicer or Piwi proteins, all small RNAs in plants and a subset of small RNAs in animals are further modified at their 3'-terminal nucleotides via 2'-O-methylation, carried out by the S-adenosylmethionine-dependent methyltransferase (MTase) Hen1. Methylation at the 3' terminus is vital for biological functions of these small RNAs. Here, we report four crystal structures of the MTase domain of a bacterial homolog of Hen1 from Clostridium thermocellum and Anabaena variabilis, which are enzymatically indistinguishable from the eukaryotic Hen1 in their ability to methylate small single-stranded RNAs. The structures reveal that, in addition to the core fold of the MTase domain shared by other RNA and DNA MTases, the MTase domain of Hen1 possesses a motif and a domain that are highly conserved and are unique to Hen1. The unique motif and domain are likely to be involved in RNA substrate recognition and catalysis. The structures allowed us to construct a docking model of an RNA substrate bound to the MTase domain of bacterial Hen1, which is likely similar to that of the eukaryotic counterpart. The model, supported by mutational studies, provides insight into RNA substrate specificity and catalytic mechanism of Hen1. C1 [Chan, Chio Mui; Zhou, Chun; Huang, Raven H.] Univ Illinois, Dept Biochem, Urbana, IL 61801 USA. [Huang, Raven H.] Univ Illinois, Ctr Biophys & Computat Biol, Urbana, IL 61801 USA. [Brunzelle, Joseph S.] Argonne Natl Lab, Life Sci Collaborat Access Team, Argonne, IL 60439 USA. RP Huang, RH (reprint author), Univ Illinois, Dept Biochem, Urbana, IL 61801 USA. EM huang@uiuc.edu FU National Science Foundation [MCB-0920966] FX We thank S. Nair for critical reading and editing of the manuscript; J. Wu (University of Rochester, Rochester, NY) and T. Thiel (University of Missouri, St. Louis) for genomic DNAs; and the staffs of beamline 21ID at the Advanced Photon Source for their assistance during data collection. This work was supported by National Science Foundation Grant MCB-0920966. NR 28 TC 17 Z9 17 U1 1 U2 6 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD OCT 20 PY 2009 VL 106 IS 42 BP 17699 EP 17704 DI 10.1073/pnas.0907540106 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 508UR UT WOS:000270963100020 ER PT J AU Jun, YW Sheikholeslami, S Hostetter, DR Tajon, C Craik, CS Alivisatos, AP AF Jun, Young-Wook Sheikholeslami, Sassan Hostetter, Daniel R. Tajon, Cheryl Craik, Charles S. Alivisatos, A. Paul TI Continuous imaging of plasmon rulers in live cells reveals early-stage caspase-3 activation at the single-molecule level SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE caspase; live cell imaging; plasmonic nanoparticles; protease sensor; single-molecule imaging ID QUANTUM-DOT BLINKING; LIVING CELLS; GRANZYME-B; APOPTOSIS; DYNAMICS; PROTEIN; NANOCRYSTALS; SPECIFICITY; SUPPRESSION; MICROSCOPY AB The use of plasmon coupling in metal nanoparticles has shown great potential for the optical characterization of many biological processes. Recently, we have demonstrated the use of "plasmon rulers'' to observe conformational changes of single biomolecules in vitro. Plasmon rulers provide robust signals without photo-bleaching or blinking. Here, we show the first application of plasmon rulers to in vivo studies to observe very long trajectories of single biomolecules in live cells. We present a unique type of plasmon ruler comprised of peptide-linked gold nanoparticle satellites around a core particle, which was used as a probe to optically follow cell-signaling pathways in vivo at the single-molecule level. These "crown nanoparticle plasmon rulers'' allowed us to continuously monitor trajectories of caspase-3 activity in live cells for over 2 h, providing sufficient time to observe early-stage caspase-3 activation, which was not possible by conventional ensemble analyses. C1 [Jun, Young-Wook; Sheikholeslami, Sassan; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Jun, Young-Wook; Sheikholeslami, Sassan; Alivisatos, A. Paul] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Hostetter, Daniel R.; Tajon, Cheryl; Craik, Charles S.] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94158 USA. [Tajon, Cheryl; Craik, Charles S.] Univ Calif San Francisco, Grad Program Chem & Chem Biol, San Francisco, CA 94158 USA. RP Alivisatos, AP (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM alivis@berkeley.edu RI Jun, Young-wook/A-4141-2008; Alivisatos , Paul /N-8863-2015 OI Alivisatos , Paul /0000-0001-6895-9048 FU National Institutes of Health [R01-GM77856, NOT-OD-09-056, CA72006, CA128765]; US Air Force Office of Scientific Research-Korea Ministry of Education-Science and Technology Nano-Bio-Information Technology Program [K20716000001-07A0400-00100]; Lawrence Berkeley National Laboratory [LB08003826]; Leukemia and Lymphoma Society Fellowship [5552-06]; National Institute of General Medical Sciences [1 R25 GM56847] FX We thank Prof. J. Wells ( University of California, San Francisco), Prof. M. Shuman ( University of California, San Francisco), Prof. C. Larabell ( Lawrence Berkeley National Laboratory), Dr. W. Gu, Dr. A. Mastroianni, Dr. S. Claridge, and C. Choi for helpful discussion. We also thank Dr. Dennis Wolan and Julie Zorn for advice on caspase-3 activity assays and for providing us with purified recombinant caspase-3, and A. Fischer and M. Yasukawa for cell culture. This work was supported by the National Institutes of Health Grant R01-GM77856, NOT-OD-09-056 and the US Air Force Office of Scientific Research-Korea Ministry of Education-Science and Technology Nano-Bio-Information Technology Program K20716000001-07A0400-00100; Lawrence Berkeley National Laboratory LB08003826, Leukemia and Lymphoma Society Fellowship 5552-06 ( to D. R. H.), National Institute of General Medical Sciences Grant 1 R25 GM56847 ( to C. T.), and National Institutes of Health Grants CA72006 and CA128765 ( to C. S. C.). NR 42 TC 105 Z9 112 U1 7 U2 65 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD OCT 20 PY 2009 VL 106 IS 42 BP 17735 EP 17740 DI 10.1073/pnas.0907367106 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 508UR UT WOS:000270963100026 PM 19805121 ER PT J AU Reith, F Etschmann, B Grosse, C Moors, H Benotmane, MA Monsieurs, P Grass, G Doonan, C Vogt, S Lai, B Martinez-Criado, G George, GN Nies, DH Mergeay, M Pring, A Southam, G Brugger, J AF Reith, Frank Etschmann, Barbara Grosse, Cornelia Moors, Hugo Benotmane, Mohammed A. Monsieurs, Pieter Grass, Gregor Doonan, Christian Vogt, Stefan Lai, Barry Martinez-Criado, Gema George, Graham N. Nies, Dietrich H. Mergeay, Max Pring, Allan Southam, Gordon Brugger, Joel TI Mechanisms of gold biomineralization in the bacterium Cupriavidus metallidurans SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE bacteria; XAS ID SULFATE-REDUCING BACTERIA; FILAMENTOUS CYANOBACTERIA; RALSTONIA-METALLIDURANS; SIGMA FACTORS; HEAVY-METALS; STRAIN CH34; COMPLEX; RESISTANCE; GEOMICROBIOLOGY; BIOACCUMULATION AB While the role of microorganisms as main drivers of metal mobility and mineral formation under Earth surface conditions is now widely accepted, the formation of secondary gold (Au) is commonly attributed to abiotic processes. Here we report that the biomineralization of Au nanoparticles in the metallophillic bacterium Cupriavidus metallidurans CH34 is the result of Au-regulated gene expression leading to the energy-dependent reductive precipitation of toxic Au(III)-complexes. C. metallidurans, which forms biofilms on Au grains, rapidly accumulates Au(III)-complexes from solution. Bulk and microbeam synchrotron X-ray analyses revealed that cellular Au accumulation is coupled to the formation of Au(I)-S complexes. This process promotes Au toxicity and C. metallidurans reacts by inducing oxidative stress and metal resistances gene clusters ( including a Au-specific operon) to promote cellular defense. As a result, Au detoxification is mediated by a combination of efflux, reduction, and possibly methylation of Au-complexes, leading to the formation of Au(I)-C-compounds and nanoparticulate Au(0). Similar particles were observed in bacterial biofilms on Au grains, suggesting that bacteria actively contribute to the formation of Au grains in surface environments. The recognition of specific genetic responses to Au opens the way for the development of bioexploration and bioprocessing tools. C1 [Reith, Frank; Brugger, Joel] Univ Adelaide, Sch Earth & Environm Sci, Ctr Tecton Resources & Explorat, Adelaide, SA 5000, Australia. [Reith, Frank] Commonwealth Sci & Ind Res Org CSIRO Land & Water, Glen Osmond, SA 5064, Australia. [Etschmann, Barbara; Pring, Allan; Brugger, Joel] S Australian Museum, Dept Mineral, Adelaide, SA 5005, Australia. [Etschmann, Barbara] S Australian Museum, CSIRO Explorat & Min, Adelaide, SA 5000, Australia. [Etschmann, Barbara] Univ Tasmania, CODES Ctr Excellence, Hobart, Tas 7001, Australia. [Grosse, Cornelia; Nies, Dietrich H.] Univ Halle Wittenberg, Inst Biol & Mikrobiol, DE-06120 Halle, Germany. [Moors, Hugo; Benotmane, Mohammed A.; Monsieurs, Pieter; Mergeay, Max] Inst Environm Hlth & Safety, Nucl Res Ctr, Microbiol Unit, Expertise Grp Mol & Cellular Biol, B-2400 Mol, Belgium. [Grass, Gregor] Univ Nebraska, Sch Biol Sci, Lincoln, NE 68588 USA. [Doonan, Christian] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Vogt, Stefan; Lai, Barry] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Martinez-Criado, Gema] European Synchrotron Radiat Facil, Expt Div, F-38043 Grenoble, France. [George, Graham N.] Univ Saskatchewan, Dept Geol Sci, Saskatoon, SK S7N 5E2, Canada. [Southam, Gordon] Univ Western Ontario, Dept Earth Sci, Dept Biol, London, ON N6A 5B7, Canada. RP Reith, F (reprint author), Univ Adelaide, Sch Earth & Environm Sci, Ctr Tecton Resources & Explorat, Adelaide, SA 5000, Australia. EM frank.reith@csiro.au RI Monsieurs, Pieter/A-2917-2009; Brugger, Joel/C-7113-2008; Mergeay, Max/H-2003-2011; Reith, Frank/E-5542-2011; Etschmann, Barbara/H-7731-2012; Grass, Gregor/A-9981-2009; George, Graham/E-3290-2013; Martinez-Criado, Gema/C-6624-2014; Southam, Gordon/D-1983-2013; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013 OI Brugger, Joel/0000-0003-1510-5764; Grass, Gregor/0000-0002-8002-7718; Martinez-Criado, Gema/0000-0002-4503-9385; Southam, Gordon/0000-0002-8941-1249; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513 FU Advanced Photon Source (APS); European Synchrotron Research Facility (ESRF); Stanford Synchrotron Radiation Laboratory (SSRL); Natural Sciences and Engineering Research Council Canada; University of Saskatchewan; Australian Research Council; Australian Synchrotron Research Funding Schemes FX We thank the Advanced Photon Source (APS), the European Synchrotron Research Facility (ESRF), and the Stanford Synchrotron Radiation Laboratory (SSRL) for provision of beamtime; Barrick Gold and Newmont Gold for support; the Natural Sciences and Engineering Research Council Canada, which supported research at the University of Saskatchewan; P. Self, L. Waterhouse, and L. Green at Adelaide Microscopy; and J. Parson from Prophet Gold Mine for access and support. This work was supported by the Australian Research Council and Australian Synchrotron Research Funding Schemes. NR 49 TC 106 Z9 108 U1 7 U2 91 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD OCT 20 PY 2009 VL 106 IS 42 BP 17757 EP 17762 DI 10.1073/pnas.0904583106 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 508UR UT WOS:000270963100030 PM 19815503 ER PT J AU Prikhodko, VY Nguyen, K Choi, JS Daw, CS AF Prikhodko, Vitaly Y. Nguyen, Ke Choi, Jae-Soon Daw, C. Stuart TI Axial length effects on Lean NOx Trap performance SO APPLIED CATALYSIS B-ENVIRONMENTAL LA English DT Article DE Lean NOx Trap (LNT); NOx storage/reduction; NSR; Size effect; Gas hourly space velocity; Back-mixing ID STORAGE-REDUCTION CATALYST; REGENERATION; AMMONIA; SULFUR; PT/BAO/AL2O3; BREAKTHROUGH; ADSORPTION; HYDROGEN AB The effect of axial length on the NO, reduction performance of two different commercial Lean NOx Trap (LNT) monolithic catalysts was experimentally investigated in a bench flow reactor. The washcoat composition of one of the catalysts consisted of Pt and K on gamma-Al2O3; whereas the other catalyst contained a complex mixture of Pt, Pd, Rh, Ba, Ce, Zr, Mg, Al and others. The NOx removal characteristics of cylindrical monolith segments of constant diameter (2.22 cm) and axial lengths of 2.54, 5.08 and 7.62 cm were evaluated using a simulated lean engine exhaust containing water and carbon dioxide at a constant space velocity of 30,000 h(-1). No significant effects of length were observed when the catalysts were fully reduced with hydrogen between NOx capture phases. However when the catalysts were only partially regenerated NO, reduction efficiency increased with monolith length. Intra-catalyst H-2 measurements at different axial locations indicated that at least some of the efficiency loss during partial regeneration occurred when back-mixed H-2 was directly oxidized and became unavailable for nitrate reduction. (C) 2009 Elsevier B.V. All rights reserved. C1 [Prikhodko, Vitaly Y.; Nguyen, Ke] Univ Tennessee, Mech Aerosp & Biomed Engn Dept, Knoxville, TN 37996 USA. [Prikhodko, Vitaly Y.; Choi, Jae-Soon; Daw, C. Stuart] Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, Knoxville, TN 37932 USA. RP Nguyen, K (reprint author), Univ Tennessee, Mech Aerosp & Biomed Engn Dept, 414 Dougherty Engn Bldg, Knoxville, TN 37996 USA. EM knguyen@utk.edu OI Choi, Jae-Soon/0000-0002-8162-4207 FU U.S. Department of Energy, Office of Vehicle Technologies FX This research was sponsored by the U.S. Department of Energy, Office of Vehicle Technologies, with Ken Howden and Gurpreet Singh as the Program Managers. We thank Umicore (Dr. Owen Bailey) and EmeraChern for providing the catalysts used in this study. NR 25 TC 7 Z9 7 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-3373 J9 APPL CATAL B-ENVIRON JI Appl. Catal. B-Environ. PD OCT 19 PY 2009 VL 92 IS 1-2 BP 9 EP 16 DI 10.1016/j.apcatb.2009.07.030 PG 8 WC Chemistry, Physical; Engineering, Environmental; Engineering, Chemical SC Chemistry; Engineering GA 514CU UT WOS:000271372200002 ER PT J AU Chien, TY Santos, TS Bode, M Guisinger, NP Freeland, JW AF Chien, TeYu Santos, Tiffany S. Bode, Matthias Guisinger, Nathan P. Freeland, John W. TI Controllable local modification of fractured Nb-doped SrTiO3 surfaces SO APPLIED PHYSICS LETTERS LA English DT Article ID ROOM-TEMPERATURE; TRANSITION; OXIDE AB Nanoscale surface modification of a fractured Nb-doped SrTiO3 surface is demonstrated in a controlled way by scanning tunneling microscopy. By applying positive voltage pulses, holes can be created and the width and depth of the hole can be controlled by selecting the appropriate bias and pulse duration. The process shows a threshold condition for creation of the holes and change in the local electronic density of state consistent with exposure of the underlying TiO2 layer by removal of SrO. By applying negative bias, the hole can be partially refilled from the transfer of adsorbates on the tip. (C) 2009 American Institute of Physics. [doi:10.1063/1.3254184] C1 [Chien, TeYu; Freeland, John W.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Santos, Tiffany S.; Bode, Matthias; Guisinger, Nathan P.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Chien, TY (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM tchien@anl.gov RI Bode, Matthias/S-3249-2016 OI Bode, Matthias/0000-0001-7514-5560 FU U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Work at Argonne, including the Center for Nanoscale Materials, is supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 20 TC 14 Z9 14 U1 0 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 19 PY 2009 VL 95 IS 16 AR 163107 DI 10.1063/1.3254184 PG 3 WC Physics, Applied SC Physics GA 512BU UT WOS:000271218200049 ER PT J AU Hopkins, PE Rakich, PT Olsson, RH El-Kady, IF Phinney, LM AF Hopkins, Patrick E. Rakich, Peter T. Olsson, Roy H. El-Kady, Ihab F. Phinney, Leslie M. TI Origin of reduction in phonon thermal conductivity of microporous solids SO APPLIED PHYSICS LETTERS LA English DT Article ID THERMOELECTRIC-MATERIALS; SILICON FILMS; GERMANIUM AB Porous structures have strong tunable size effects due to increased surface area. Size effects on phonon thermal conductivity have been observed in porous materials with periodic voids on the order of microns. This letter explores the origin of this size effect on phonon thermal conductivity observed in periodic microporous membranes. Pore-edge boundary scattering of low frequency phonons explains the temperature trends in the thermal conductivity; further reduction in thermal conductivity is explained by the porosity. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3250166] C1 [Hopkins, Patrick E.; Rakich, Peter T.; Olsson, Roy H.; El-Kady, Ihab F.; Phinney, Leslie M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hopkins, PE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pehopki@sandia.gov RI El-Kady, Ihab/D-2886-2013 OI El-Kady, Ihab/0000-0001-7417-9814 FU Harry S. Truman Fellowship through the LDRD Program at Sandia National Laboratories; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94Al85000] FX P. E. H. acknowledges funding by the Harry S. Truman Fellowship through the LDRD Program at Sandia National Laboratories. The authors thank Edward S. Piekos for insightful discussions. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Co. for the United States Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94Al85000. NR 23 TC 32 Z9 32 U1 3 U2 16 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 19 PY 2009 VL 95 IS 16 AR 161902 DI 10.1063/1.3250166 PG 3 WC Physics, Applied SC Physics GA 512BU UT WOS:000271218200015 ER PT J AU Idrobo, JC Oxley, MP Walkosz, W Klie, RF Ogut, S Mikijelj, B Pennycook, SJ Pantelides, ST AF Idrobo, J. C. Oxley, M. P. Walkosz, W. Klie, R. F. Ogut, S. Mikijelj, B. Pennycook, S. J. Pantelides, S. T. TI Identification and lattice location of oxygen impurities in alpha-Si3N4 SO APPLIED PHYSICS LETTERS LA English DT Article ID SILICON-NITRIDE; CRYSTAL-STRUCTURE; RESOLUTION; POWDERS; ENERGY; PHASE AB For over 40 years impurities have been believed to stabilize the ceramic alpha-Si3N4 but there is no direct evidence for their identity or lattice location. In bulk materials electron microscopy can generally image heavy impurities. Here we report direct imaging of N columns in alpha-Si3N4 that suggests the presence of excess light elements in specific N columns. First-principles calculations rule out Si or N interstitials and suggest O impurities, which are then confirmed by atomically resolved electron-energy-loss spectroscopy. The result provides a possible explanation for the stability of alpha-Si3N4 with implications for the design of next-generation structural ceramics. c 2009 American Institute of Physics. [doi: 10.1063/1.3250922] C1 [Idrobo, J. C.; Oxley, M. P.; Pennycook, S. J.; Pantelides, S. T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Idrobo, J. C.; Oxley, M. P.; Pennycook, S. J.; Pantelides, S. T.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Idrobo, J. C.; Walkosz, W.; Klie, R. F.; Ogut, S.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [Mikijelj, B.] Ceradyne Inc, Costa Mesa, CA 92626 USA. RP Idrobo, JC (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. EM juan.idrobo@vanderbilt.edu RI Ogut, Serdar/B-1749-2012; Idrobo, Juan/H-4896-2015 OI Idrobo, Juan/0000-0001-7483-9034 FU National Science Foundation [DMR-0605964, DMR-0513048]; Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, U. S. Department of Energy; McMinn Endowment FX This research was partially supported by the National Science Foundation under Grant Nos. DMR-0605964 (J. C. I., W. W., and S. O.) and DMR-0513048 (J. C. I.), the Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, U. S. Department of Energy (M. P. O. and S. J. P.), the SHaRE User Facility, which is sponsored by the Division of Scientific User Facilities, Office of Basic Energy Sciences, U. S. Department of Energy, and by the McMinn Endowment (S. T. P.) at Vanderbilt University. Computations were supported by the National Center for Supercomputing Applications. NR 17 TC 9 Z9 9 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 19 PY 2009 VL 95 IS 16 AR 164101 DI 10.1063/1.3250922 PG 3 WC Physics, Applied SC Physics GA 512BU UT WOS:000271218200068 ER PT J AU Telling, ND Coker, VS Cutting, RS van der Laan, G Pearce, CI Pattrick, RAD Arenholz, E Lloyd, JR AF Telling, N. D. Coker, V. S. Cutting, R. S. van der Laan, G. Pearce, C. I. Pattrick, R. A. D. Arenholz, E. Lloyd, J. R. TI Remediation of Cr(VI) by biogenic magnetic nanoparticles: An x-ray magnetic circular dichroism study SO APPLIED PHYSICS LETTERS LA English DT Article ID AQUEOUS CR(VI); ABSORPTION AB Biologically synthesized magnetite (Fe(3)O(4)) nanoparticles are studied using x-ray absorption and x-ray magnetic circular dichroism following exposure to hexavalent Cr solution. By examining their magnetic state, Cr cations are shown to exist in trivalent form on octahedral sites within the magnetite spinel surface. The possibility of reducing toxic Cr(VI) into a stable, nontoxic form, such as a Cr(3+)-spinel layer, makes biogenic magnetite nanoparticles an attractive candidate for Cr remediation. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3249578] C1 [Telling, N. D.; Coker, V. S.; Cutting, R. S.; van der Laan, G.; Pearce, C. I.; Pattrick, R. A. D.; Lloyd, J. R.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester M13 9PL, Lancs, England. [van der Laan, G.] Diamond Light Source, Magnet Spect Grp, Didcot OX11 0DE, Oxon, England. [Arenholz, E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Telling, ND (reprint author), Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester M13 9PL, Lancs, England. EM neil.telling@manchester.ac.uk RI Coker, Victoria/B-4181-2012; van der Laan, Gerrit/Q-1662-2015 OI van der Laan, Gerrit/0000-0001-6852-2495 FU EPSRC [EP/D057310/1, EP/D058767/1]; BBSRC [BB/E003788/1]; U. S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by Grant Nos. EP/D057310/1 and EP/D058767/1 from EPSRC and BB/E003788/1 from BBSRC. We thank R. L. Kimber for sample preparation. Supported by the U. S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 12 TC 20 Z9 20 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 19 PY 2009 VL 95 IS 16 AR 163701 DI 10.1063/1.3249578 PG 3 WC Physics, Applied SC Physics GA 512BU UT WOS:000271218200066 ER PT J AU Mundy, CJ Kuo, IFW Tuckerman, ME Lee, HS Tobias, DJ AF Mundy, Christopher J. Kuo, I-Feng W. Tuckerman, Mark E. Lee, Hee-Seung Tobias, Douglas J. TI Hydroxide anion at the air-water interface SO CHEMICAL PHYSICS LETTERS LA English DT Article ID INITIO MOLECULAR-DYNAMICS; LIQUID-VAPOR INTERFACE; HYDRATED EXCESS PROTON; NEAT WATER; AQUEOUS INTERFACES; SURFACE; IONS; SOLVATION; HYDRONIUM; DENSITY AB Whether aqueous interfaces are acidic or basic has implications for interfacial chemistry, but the question remains open. We employ first-principles molecular dynamics simulations to determine the intrinsic propensity of OH(-) for the air-water interface and find that OH(-) is stabilized by roughly k(B)T at the interface vs. the bulk. We predict, therefore, that the surface population OH(-) is slightly enhanced. Our simulations suggest that the solvation of OH(-) at the interface is similar to that observed in small water clusters, and they reveal changes in the orientation of solvating water molecules that are consistent with surface-sensitive vibrational spectra. (C) 2009 Published by Elsevier B.V. C1 [Tobias, Douglas J.] Univ Calif Irvine, Dept Chem, AirUCI, Irvine, CA 92697 USA. [Mundy, Christopher J.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Kuo, I-Feng W.] Lawrence Livermore Natl Lab, Div Chem Sci, Livermore, CA 94550 USA. [Tuckerman, Mark E.] New York Univ, Courant Inst Math Sci, Dept Chem, New York, NY 10003 USA. [Lee, Hee-Seung] Univ N Carolina, Dept Chem & Biochem, Wilmington, NC 28403 USA. RP Tobias, DJ (reprint author), Univ Calif Irvine, Dept Chem, AirUCI, Irvine, CA 92697 USA. EM dtobias@uci.edu RI Tobias, Douglas/B-6799-2015 FU National Science Foundation [CHE-0431512, CHE-0704036]; UNCW; US Department of Energy (DOE); Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344]; Environmental Molecular Sciences Laboratory at Pacific Northwest National Laboratory (PNNL); Office of Science of the U.S. DOE [DE-AC05-00OR22725, DE-AC02-06CH11357]; Molecular Sciences Computing Facility at PNNL FX D.J. T. and M. E. T. acknowledge support from the National Science Foundation (Grants CHE-0431512 and CHE-0704036). H. S. L. was supported by a summer research initiative and the Cahill research fund at UNCW. The work of I. F. W. K. was performed under the auspices of the US Department of Energy (DOE) at Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. C.J.M. is supported by the DOE Office of Basic Energy Sciences Chemical, Geosciences, and Biosciences division. All of the bulk calculations were performed using the computing resource NWice located in the Environmental Molecular Sciences Laboratory at Pacific Northwest National Laboratory (PNNL). The interface calculations were enabled by a 2008-2009 INCITE award to C.J.M. on the CRAY XT4 ( using resources of the National Center for Computational Sciences at Oak Ridge National Laboratory (ORNL), which is supported by the Office of Science of the U.S. DOE under Contract No. DE-AC05-00OR22725) and the BlueGene/P at Argonne National Laboratory (resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U. S. DOE under contract DE-AC02-06CH11357). C.J.M. and D.J.T. also acknowledge NERSC 2008 Early Use awards on the CRAY XT5 at ORNL. I. F. W. K. acknowledges computer time allocated via the Computational Grand Challenge awards at LLNL. D. J. T. acknowledges a grant of computer time from the Molecular Sciences Computing Facility at PNNL. NR 49 TC 75 Z9 75 U1 5 U2 51 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD OCT 19 PY 2009 VL 481 IS 1-3 BP 2 EP 8 DI 10.1016/j.cplett.2009.09.003 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 508BX UT WOS:000270902900002 ER PT J AU Sun, XQ Yoo, S Xantheas, SS Dang, LX AF Sun, Xiuquan Yoo, Soohaeng Xantheas, Sotiris S. Dang, Liem X. TI The reorientation mechanism of hydroxide ions in water: A molecular dynamics study SO CHEMICAL PHYSICS LETTERS LA English DT Article ID SPACE GAUSSIAN PSEUDOPOTENTIALS; TRANSPORT MECHANISM; SOLVATION SHELL; LIQUID WATER; BASIS-SETS; DENSITY; SPECTROSCOPY; CLUSTERS; MOBILITY; APPROXIMATION AB Classical molecular dynamics simulations with a polarizable force field indicate two major structural motifs for the aqueous bulk solvation of OH(-): a four- and a five-coordinated solvent hydrogen bond donor to OHV in addition to a weak solvent hydrogen bond acceptor by OH(-). A two-step mechanism for the reorientation of OH(-) in water is proposed: first, the reorientation of OH(-) is initiated by the coupled translation with the water molecules in its first solvation shell; second, the OH(-) relaxes to the minimum energy configuration. The first step is the rate-limiting one for this mechanism. (C) 2009 Elsevier B.V. All rights reserved. C1 [Sun, Xiuquan; Yoo, Soohaeng; Xantheas, Sotiris S.; Dang, Liem X.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Dang, LX (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, 902 Battelle Blvd,POB 999,MS K1-83, Richland, WA 99352 USA. EM liem.dang@pnl.gov RI Xantheas, Sotiris/L-1239-2015; OI Xantheas, Sotiris/0000-0002-6303-1037 NR 50 TC 18 Z9 19 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD OCT 19 PY 2009 VL 481 IS 1-3 BP 9 EP 16 DI 10.1016/j.cplett.2009.09.004 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 508BX UT WOS:000270902900003 ER PT J AU Yoo, S Xantheas, SS Zeng, XC AF Yoo, Soohaeng Xantheas, Sotiris S. Zeng, Xiao Cheng TI The melting temperature of bulk silicon from ab initio molecular dynamics simulations SO CHEMICAL PHYSICS LETTERS LA English DT Article ID SPACE GAUSSIAN PSEUDOPOTENTIALS; LIQUID PHASE-TRANSITION; WATER; PRESSURE; DENSITY; ICE AB We estimated a melting temperature of T-m similar to 1540 +/- 50 K at zero pressure for silicon from constant enthalpy and constant pressure (NPH) Born-Oppenheimer Molecular Dynamics (BOMD) simulations of a coexisting crystalline-liquid phase. The computed Tm is below the experimental melting point of 1685 K, but it is consistent with a previously predicted first-order liquid-liquid phase transition (LLPT) at a critical point T-c similar to 1232 K and P-c similar to -12 kB [P. Ganesh, M. Widom, Phys. Rev. Lett. 102 (2009) 075701], which is in a highly supercooled state. (C) 2009 Published by Elsevier B.V. C1 [Zeng, Xiao Cheng] Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA. [Yoo, Soohaeng; Xantheas, Sotiris S.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Zeng, XC (reprint author), Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA. EM xzeng1@unl.edu RI Xantheas, Sotiris/L-1239-2015; OI Xantheas, Sotiris/0000-0002-6303-1037 FU Chemical Sciences, Geosciences and Biosciences Division; Materials Science and Engineering Division [DE-FG02-04ER46164]; Office of Basic Energy Sciences, U. S. Department of Energy; Nebraska Research Initiative FX We acknowledge support from the Chemical Sciences, Geosciences and Biosciences Division, and the Materials Science and Engineering Division (DE-FG02-04ER46164), Office of Basic Energy Sciences, U. S. Department of Energy, and from the Nebraska Research Initiative. Battelle operates the Pacific Northwest National Laboratory for the U. S. Department of Energy. This research was performed in part using the Molecular Science Computing Facility (MSCF) in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research. Additional computer resources were provided by the Office of Basic Energy Sciences, U.S. Department of Energy at the National Energy Research Scientific Computing (NERSC) center at the Lawrence Berkeley National Laboratory (LBNL) in Berkeley, CA. NR 34 TC 11 Z9 11 U1 0 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD OCT 19 PY 2009 VL 481 IS 1-3 BP 88 EP 90 DI 10.1016/j.cplett.2009.09.075 PG 3 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 508BX UT WOS:000270902900019 ER PT J AU Cao, ZJ Balasubramanian, K Calvert, MG Nitsche, H AF Cao, Zhiji Balasubramanian, K. Calvert, Michael G. Nitsche, Heino TI Solvation Effects on Isomeric Preferences of Curium(III) Complexes with Multidentate phosphonopropionic Acid Ligands: CmH(2)PPA(2+) and CmHPPA(+) Complexes SO INORGANIC CHEMISTRY LA English DT Article ID LASER FLUORESCENCE SPECTROSCOPY; RELATIVISTIC EFFECTIVE POTENTIALS; SPIN-ORBIT OPERATORS; AQUEOUS-SOLUTION; ELECTRONIC-STRUCTURE; CARBONATE COMPLEXES; HYDRATION NUMBER; ACTINYL IONS; CM(III); CHEMISTRY AB We have carried out both time-resolved laser fluorescence spectroscopic and computational studies on the complexes of curium(Ill) with multidentate Phosphonopropionic (PPA) acid ligands. A number of complexes of Cm(Ill) with these ligands, such as CmH(2)PPA(2+), CmHPPA(+), Cm[H(2)PPA](2)(+), and Cm[HPPA](2)(-) have been studied. Our computational studies focused on all possible isomers in the gas phase and aqueous solution so that the relative binding strengths of carboxylic versus phosphoric groups can be assessed in these multidentate systems. The solvation effects play an important role in the determination of the preferred configurations and binding propensities of carboxylate versus phosphate sites of the ligands. Our computations assess the relative strengths of single and multidentate complexes in solutions for these systems. The computed free energies of solvation explain the experimentally observed fluorescence spectra and the lifetimes of these complexes in that as more water molecules are displaced from the first hydration sphere by the ligands that bind to Cm(III), the fluorescence lifetime increases. We have found that the most stable complex for CmH(2)PPA(2+) in the aqueous phase exhibits a monodentate complex where the curium(Ill) is bound to the deprotonated phosphate oxygen atom. Our A longer fluorescence lifetime of CmH(2)PPA(2+) (112 mu s) compared to the free Cm(III) computations support the observe aquo ion (65 mu s), suggesting a greater degree of H2O displacement from the hydration sphere. For the Cm-HPPA(+) complex, we find a tridentate form as the most stable structure which supports the observed fluorescence lifetime for the CmHPPA(+) complex (172 mu s), confining the removal of up to six water molecules from the inner hydration sphere. The relative stabilities of the complexes are found to vary substantially between the gas phase and solution, indicating a major role of solvation in the relative stabilities of these complexes. C1 [Cao, Zhiji; Balasubramanian, K.] Calif State Univ Hayward, Coll Sci, Hayward, CA 94542 USA. [Balasubramanian, K.] Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. [Balasubramanian, K.; Calvert, Michael G.; Nitsche, Heino] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Calvert, Michael G.; Nitsche, Heino] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Balasubramanian, K (reprint author), Calif State Univ Hayward, Coll Sci, Hayward, CA 94542 USA. EM balu@llnl.gov RI Cao, Zhiji/A-5957-2010 FU U.S. Department of Energy [DE-FG0205ER 15657]; Department of Energy, Office of Civilian Radioactive Waste Management FX This research was supported by the U.S. Department of Energy under Grant DE-FG0205ER 15657. The work at LLNL was performed under the auspices of the U.S. Department of Energy. The authors would like to acknowledge computational support oil Lawrence Livermore's supercomputer comprising 992 processors supported by DOE's accelerated supercomputing initiative program. M.G.C. was supported by a Department of Energy, Office of Civilian Radioactive Waste Management Fellowship. NR 53 TC 7 Z9 7 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD OCT 19 PY 2009 VL 48 IS 20 BP 9700 EP 9714 DI 10.1021/ic901054h PG 15 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 503SY UT WOS:000270561400014 PM 19757852 ER PT J AU Gourdon, O Izaola, Z Elcoro, L Petricek, V Miller, GJ AF Gourdon, Olivier Izaola, Zunbeltz Elcoro, Luis Petricek, Vaclav Miller, Gordon J. TI Structure Determination of Two Modulated gamma-Brass Structures in the Zn-Pd System through a (3+1)-Dimensional Space Description SO INORGANIC CHEMISTRY LA English DT Article ID QUASI-CRYSTAL APPROXIMANTS; INTERGROWTH COMPOUNDS AB The structure determination of two composite compounds in the Zn-Pd system with close relationships to the cubic gamma-brass structure Zn11-delta Pd2+delta is reported. Their structures have been solved from single crystal X-ray diffraction data within a (3 + 1)-dimensional [(3 + 1)D] formalism. Zn75.7(7)Pd24.3 and Zn78.8(7)Pd21.2 crystallize with orthorhombic symmetry, superspace group Xmmm(00 gamma)0s0 (X [(1/2,1/2,0,0); (0,1/2,1/2,1/2); (1/2,0,1/2,1/2)]), with the following lattice parameters, respectively: a(s) = 12.929(3) angstrom, b(s) = 9.112(4) angstrom, c(s) = 2.5631(7) angstrom, q = 8/13 c* and V-s = 302.1(3) angstrom(3) and a(s) = 12.909(3) angstrom, b(s) = 9.115(3) angstrom, c(s) = 2.6052(6) angstrom, q = 11/18 c* and V-s = 306.4(2) angstrom(3). Their structures may be considered as commensurate because they can be refined in the conventional 3D space groups (Cmce and Cmcm, respectively) using supercells, but they also refined within the (3 + 1)D formalism to residual factors R = 3.14% for 139 parameters and 1184 independent reflections for Zn75.7(7)Pd24.3 and R = 3.16% for 175 parameters and 1804 independent reflections for Zn78.8(7)Pd21.2. The use of the (3 + 1)D formalism improves the results of the refinement and leads to a better understanding of the complexity of the atomic arrangement through the various modulations (occupation waves and displacive waves). Our refinements emphasize a unique Pd/Zn occupancy modulation at the center of distorted icosahedra, a modulation which correlates with the distortion of these polyhedra. C1 [Gourdon, Olivier] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Julich Ctr Neutron Sci, Oak Ridge, TN 37831 USA. [Izaola, Zunbeltz] Helmholtz Zentrum Berlin, D-14109 Berlin, Germany. [Elcoro, Luis] Univ Basque Country, Dept Fis Mat Condensada, F Ciencia & Tecnol, E-48080 Bilbao, Spain. [Petricek, Vaclav] Acad Sci Czech Republic, Inst Phys, CZ-18040 Prague 8, Czech Republic. [Miller, Gordon J.] Iowa State Univ, US Dept Energy, Dept Chem, Ames, IA 50011 USA. [Miller, Gordon J.] Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. RP Gourdon, O (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Julich Ctr Neutron Sci, Oak Ridge, TN 37831 USA. EM gourdonoa@ornl.gov RI Petricek, Vaclav/G-6868-2014; Elcoro, Luis/H-4584-2015 OI Elcoro, Luis/0000-0002-5427-0984 FU Iowa State University [DE-AC02-07CH11358]; Materials Sciences Division of the Office of Basic Energy Sciences of the U.S. Department of Energy; MEC-Spain FX The authors are grateful to Dr. Warren Straszheim at Iowa State University for the EDXS measurements. This work was carried out at the Ames Laboratory, which is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. This work was supported by the Materials Sciences Division of the Office of Basic Energy Sciences of the U.S. Department of Energy and the MEC-Spain. Development of the program Jana2006 was supported Praemium Academiae of Czech Academy of Sciences. The authors also wish to thank the reviewers for their thorough review and useful suggestions. NR 16 TC 10 Z9 10 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD OCT 19 PY 2009 VL 48 IS 20 BP 9715 EP 9722 DI 10.1021/ic900830y PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 503SY UT WOS:000270561400015 PM 19757803 ER PT J AU Ozanich, RM Lucke, RB Melville, AM Wright, BW AF Ozanich, R. M., Jr. Lucke, R. B. Melville, A. M. Wright, B. W. TI Tests gauge LED sensors for fuel-dye measurements SO OIL & GAS JOURNAL LA English DT Article ID LIGHT-EMITTING-DIODES; PH C1 [Ozanich, R. M., Jr.; Wright, B. W.] Pacific NW Natl Lab, Natl Secur Directorate, Richland, WA 99352 USA. RP Ozanich, RM (reprint author), Pacific NW Natl Lab, Natl Secur Directorate, Richland, WA 99352 USA. EM richard.ozanich@pnl.gov NR 8 TC 0 Z9 0 U1 1 U2 1 PU PENNWELL PUBL CO ENERGY GROUP PI TULSA PA 1421 S SHERIDAN RD PO BOX 1260, TULSA, OK 74112 USA SN 0030-1388 J9 OIL GAS J JI Oil Gas J. PD OCT 19 PY 2009 VL 107 IS 39 BP 46 EP + PG 7 WC Energy & Fuels; Engineering, Petroleum SC Energy & Fuels; Engineering GA 686ZV UT WOS:000284742400016 ER PT J AU Link, JM Yager, PM Anjos, JC Bediaga, I Castromonte, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP Frisullo, V O'Reilly, B Segoni, I Stenson, K Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bianco, S Fabbri, FL Zallo, A Casimiro, E Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Pegna, DL Merlo, MM Pantea, D Ratti, SP Riccardi, C Vitulo, P Gobel, C Otalora, J Hernandez, H Lopez, AM Mendez, H Paris, A Quinones, J Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Luiggi, E Moore, JE Nehring, M Sheldon, PD Vaandering, EW Webster, M Sheaff, M AF Link, J. M. Yager, P. M. Anjos, J. C. Bediaga, I. Castromonte, C. Machado, A. A. Magnin, J. Massafferri, A. de Miranda, J. M. Pepe, I. M. Polycarpo, E. dos Reis, A. C. Carrillo, S. Cuautle, E. Sanchez-Hernandez, A. Uribe, C. Vazquez, F. Agostino, L. Cinquini, L. Cumalat, J. P. Frisullo, V. O'Reilly, B. Segoni, I. Stenson, K. Butler, J. N. Cheung, H. W. K. Chiodini, G. Gaines, I. Garbincius, P. H. Garren, L. A. Gottschalk, E. Kasper, P. H. Kreymer, A. E. Kutschke, R. Wang, M. Benussi, L. Bianco, S. Fabbri, F. L. Zallo, A. Casimiro, E. Reyes, M. Cawlfield, C. Kim, D. Y. Rahimi, A. Wiss, J. Gardner, R. Kryemadhi, A. Chung, Y. S. Kang, J. S. Ko, B. R. Kwak, J. W. Lee, K. B. Cho, K. Park, H. Alimonti, G. Barberis, S. Boschini, M. Cerutti, A. D'Angelo, P. DiCorato, M. Dini, P. Edera, L. Erba, S. Inzani, P. Leveraro, F. Malvezzi, S. Menasce, D. Mezzadri, M. Moroni, L. Pedrini, D. Pontoglio, C. Prelz, F. Rovere, M. Sala, S. Davenport, T. F., III Arena, V. Boca, G. Bonomi, G. Gianini, G. Liguori, G. Pegna, D. Lopes Merlo, M. M. Pantea, D. Ratti, S. P. Riccardi, C. Vitulo, P. Goebel, C. Otalora, J. Hernandez, H. Lopez, A. M. Mendez, H. Paris, A. Quinones, J. Ramirez, J. E. Zhang, Y. Wilson, J. R. Handler, T. Mitchell, R. Engh, D. Hosack, M. Johns, W. E. Luiggi, E. Moore, J. E. Nehring, M. Sheldon, P. D. Vaandering, E. W. Webster, M. Sheaff, M. TI The K-pi(+) S-wave from the D+ -> K-pi(+)pi(+) decay SO PHYSICS LETTERS B LA English DT Article ID DALITZ PLOT ANALYSIS; FOCUS; SPECTROMETER; SCATTERING AB Using data from FOCUS (E831) experiment at Fermilab, we present a model independent partial-wave analysis of the K-pi(+) S-wave amplitude from the decay D+ -> K-pi(+)pi(+). The S-wave is a generic complex function to be determined directly from the data fit. The P- and D-waves are parameterized by a sum of Breit-Wigner amplitudes. The measurement of the S-wave amplitude covers the whole elastic range of the K-pi(+) system. (C) 2009 Elsevier B.V. All rights reserved. C1 [Anjos, J. C.; Bediaga, I.; Castromonte, C.; Machado, A. A.; Magnin, J.; Massafferri, A.; de Miranda, J. M.; Pepe, I. M.; Polycarpo, E.; dos Reis, A. C.] Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. [Link, J. M.; Yager, P. M.] Univ Calif Davis, Davis, CA 95616 USA. [Carrillo, S.; Cuautle, E.; Sanchez-Hernandez, A.; Uribe, C.; Vazquez, F.] CINVESTAV, Mexico City 07000, DF, Mexico. [Agostino, L.; Cinquini, L.; Cumalat, J. P.; Frisullo, V.; O'Reilly, B.; Segoni, I.; Stenson, K.] Univ Colorado, Boulder, CO 80309 USA. [Butler, J. N.; Cheung, H. W. K.; Chiodini, G.; Gaines, I.; Garbincius, P. H.; Garren, L. A.; Gottschalk, E.; Kasper, P. H.; Kreymer, A. E.; Kutschke, R.; Wang, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Benussi, L.; Bianco, S.; Fabbri, F. L.; Zallo, A.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Casimiro, E.; Reyes, M.] Univ Guanajuato, Guanajuato 37150, Mexico. [Cawlfield, C.; Kim, D. Y.; Rahimi, A.; Wiss, J.] Univ Illinois, Urbana, IL 61801 USA. [Gardner, R.; Kryemadhi, A.] Indiana Univ, Bloomington, IN 47405 USA. [Chung, Y. S.; Kang, J. S.; Ko, B. R.; Kwak, J. W.; Lee, K. B.] Korea Univ, Seoul 136701, South Korea. [Cho, K.; Park, H.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Alimonti, G.; Barberis, S.; Boschini, M.; Cerutti, A.; D'Angelo, P.; DiCorato, M.; Dini, P.; Edera, L.; Erba, S.; Inzani, P.; Leveraro, F.; Malvezzi, S.; Menasce, D.; Mezzadri, M.; Moroni, L.; Pedrini, D.; Pontoglio, C.; Prelz, F.; Rovere, M.; Sala, S.] Ist Nazl Fis Nucl, I-20133 Milan, Italy. [Alimonti, G.; Barberis, S.; Boschini, M.; Cerutti, A.; D'Angelo, P.; DiCorato, M.; Dini, P.; Edera, L.; Erba, S.; Inzani, P.; Leveraro, F.; Malvezzi, S.; Menasce, D.; Mezzadri, M.; Moroni, L.; Pedrini, D.; Pontoglio, C.; Prelz, F.; Rovere, M.; Sala, S.] Univ Milan, Milan, Italy. [Davenport, T. F., III] Univ N Carolina, Asheville, NC 28804 USA. [Arena, V.; Boca, G.; Bonomi, G.; Gianini, G.; Liguori, G.; Pegna, D. Lopes; Merlo, M. M.; Pantea, D.; Ratti, S. P.; Riccardi, C.; Vitulo, P.] Univ Pavia, Dipartimento Fis Nucl & Teor, I-27100 Pavia, Italy. [Arena, V.; Boca, G.; Bonomi, G.; Gianini, G.; Liguori, G.; Pegna, D. Lopes; Merlo, M. M.; Pantea, D.; Ratti, S. P.; Riccardi, C.; Vitulo, P.] Ist Nazl Fis Nucl, I-27100 Pavia, Italy. [Goebel, C.; Otalora, J.] Pontificia Univ Catolica Rio de Janeiro, Rio De Janeiro, Brazil. [Hernandez, H.; Lopez, A. M.; Mendez, H.; Paris, A.; Quinones, J.; Ramirez, J. E.; Zhang, Y.] Univ Puerto Rico, Mayaguez, PR 00681 USA. [Wilson, J. R.] Univ S Carolina, Columbia, SC 29208 USA. [Handler, T.; Mitchell, R.] Univ Tennessee, Knoxville, TN 37996 USA. [Engh, D.; Hosack, M.; Johns, W. E.; Luiggi, E.; Moore, J. E.; Nehring, M.; Sheldon, P. D.; Vaandering, E. W.; Webster, M.] Vanderbilt Univ, Nashville, TN 37235 USA. [Sheaff, M.] Univ Wisconsin, Madison, WI 53706 USA. RP dos Reis, AC (reprint author), Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. EM alberto@cbpf.br RI Bonomi, Germano/G-4236-2010; Kwak, Jungwon/K-8338-2012; Anjos, Joao/C-8335-2013; Link, Jonathan/L-2560-2013; Castromonte Flores, Cesar Manuel/O-6177-2014; Benussi, Luigi/O-9684-2014; Gobel Burlamaqui de Mello, Carla /H-4721-2016; Menasce, Dario Livio/A-2168-2016; OI Bonomi, Germano/0000-0003-1618-9648; Link, Jonathan/0000-0002-1514-0650; Castromonte Flores, Cesar Manuel/0000-0002-9559-3704; Benussi, Luigi/0000-0002-2363-8889; Gobel Burlamaqui de Mello, Carla /0000-0003-0523-495X; Menasce, Dario Livio/0000-0002-9918-1686; bianco, stefano/0000-0002-8300-4124 FU US National Science Foundation; US Department of Energy; Italian Istituto Nazionale di Fisica Nucleare and Ministero della Istruzione UniversiO e Ricerca; Brazilian Conselho Nacional de Desenvolvimento Cientifico e Tecnologico; FAPERJ; CONACyT-Mexico; Korea Research Foundation of the Korean Ministry of Education FX We wish to acknowledge the assistance of the staffs of Fermi National Accelerator Laboratory, the INFN of Italy, and the physics departments of the collaborating institutions. This research was supported in part by the US National Science Foundation, the US Department of Energy, the Italian Istituto Nazionale di Fisica Nucleare and Ministero della Istruzione UniversiO e Ricerca, the Brazilian Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and FAPERJ, CONACyT-Mexico, and the Korea Research Foundation of the Korean Ministry of Education. NR 17 TC 23 Z9 23 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD OCT 19 PY 2009 VL 681 IS 1 BP 14 EP 21 DI 10.1016/j.physletb.2009.09.057 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 514QW UT WOS:000271411000003 ER PT J AU Liang, JF Beene, JR Caraley, AL Esbensen, H Galindo-Uribarri, A Gross, CJ Mueller, PE Schmitt, KT Shapira, D Stracener, DW Varner, RL AF Liang, J. F. Beene, J. R. Caraley, A. L. Esbensen, H. Galindo-Uribarri, A. Gross, C. J. Mueller, P. E. Schmitt, K. T. Shapira, D. Stracener, D. W. Varner, R. L. TI Dynamic polarization in the Coulomb breakup of loosely bound F-17 SO PHYSICS LETTERS B LA English DT Article DE Coulomb dissociation; Radioactive beam; Dynamic polarization ID DISSOCIATION; MODEL; B-8 AB Angular distributions of the Coulomb breakup of radioactive F-17 were measured by impinging a 10 MeV/nucleon beam on Pb-208 and on Ni-58 to study the dynamic polarization effects. The breakup products, oxygen and a proton, were detected in coincidence. First-order perturbation theory significantly overpredicts the breakup cross section for the Pb-208 target. Dynamical calculations with a dynamic polarization as the leading order correction were performed. The calculations reproduce the data for F-17 oil Ni-58 but overpredict the breakup of F-17 on Pb-208 by a factor of two at forward angles. (C) 2009 Elsevier B.V. All rights reserved. C1 [Liang, J. F.; Beene, J. R.; Galindo-Uribarri, A.; Gross, C. J.; Mueller, P. E.; Shapira, D.; Stracener, D. W.; Varner, R. L.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Caraley, A. L.] SUNY Coll Oswego, Dept Phys, Oswego, NY 13126 USA. [Esbensen, H.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Schmitt, K. T.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37966 USA. RP Liang, JF (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM liangjf@ornl.gov FU US Department of Energy [DE-AC05-000R22725, DE-AC02-06CH11357] FX We would like to thank J.W. Johnson for his support in implementing the hardware for the experiment. We wish to thank the operation staff of the HRIBF for delivering the superb quality 17F beam. Research at the Oak Ridge National Laboratory is supported by the US Department of Energy under contract DE-AC05-000R22725 with UT-Battelle, LLC. H.E. is supported by the US Department of Energy, Nuclear Physics Division, under contract No. DE-AC02-06CH11357. NR 27 TC 10 Z9 10 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD OCT 19 PY 2009 VL 681 IS 1 BP 22 EP 25 DI 10.1016/j.physletb.2009.09.055 PG 4 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 514QW UT WOS:000271411000004 ER PT J AU Weisbrod, N McGinnis, T Rockhold, ML Niemet, MR Selker, JS AF Weisbrod, Noam McGinnis, Thomas Rockhold, Mark L. Niemet, Michael R. Selker, John S. TI Effective Darcy-scale contact angles in porous media imbibing solutions of various surface tensions SO WATER RESOURCES RESEARCH LA English DT Article ID SALINE SOLUTIONS; LIQUID DROPLETS; WATER; PENETRATION; SOILS; FLOW AB Surface tensions of high-salinity solutions are significantly different from those of pure water. Our objective was to develop and test a methodology to determine whether these surface tension effects predictably alter imbibition into dry and moist porous media. Static and dynamic experiments were performed using four grades of quartz sand to determine the effects of solution salinity on imbibition. Results were quantified as apparent contact angles between the sand and three solutions (pure water, 5 molal NaNO(3), and n-hexane). Contact angles determined using a static method in initially air dried sand ranged from 23 degrees to 31 degrees, with the same values found for both water and the NaNO(3) solution. Effective contact angles determined for the air-dried sand using a dynamic method based on a modified version of the Green and Ampt model were about twice those found using the static method, averaging 45 degrees and 62 degrees for water and the NaNO(3) solution, respectively. In prewetted sands, the dynamic imbibition data yielded apparent contact angles of 2 degrees and 21 degrees for water and the NaNO(3) solution, respectively, with the latter value comparing well to a predicted value of 25 degrees for the NaNO(3) solution solely on the basis of surface tension contrast. The results of this study indicate that on the Darcy scale, saline solutions appear to follow the relationship of nonzero contact angles with other miscible fluids of different surface tensions used to prewet the sand grains, in agreement with the macroscale infiltration results of Weisbrod et al. (2004). C1 [Weisbrod, Noam] Ben Gurion Univ Negev, Dept Environm Hydrol & Microbiol, Ben Gurion, Israel. [McGinnis, Thomas; Selker, John S.] Oregon State Univ, Dept Biol & Ecol Engn, Corvallis, OR 97331 USA. [Niemet, Michael R.] CH2M Hill Inc, Corvallis, OR 97330 USA. [Rockhold, Mark L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Weisbrod, N (reprint author), Ben Gurion Univ Negev, Dept Environm Hydrol & Microbiol, Ben Gurion, Israel. EM weisbrod@bgu.ac.il; mark.rockhold@pnl.gov; niemet@ch2m.com; selkerj@engr.orst.edu RI Weisbrod, Noam/A-9824-2011; OI Selker, John/0000-0001-9751-6094 FU Department of Energy [DE-FG07-98ER14925]; Oregon Agricultural Experiment Station FX We would like to thank Maria Dragila for many constructive discussions during the experimental stages. The authors are also greatly indebted to the four anonymous reviewers whose comments significantly improved this manuscript. This work was funded by the Department of Energy under contract DE-FG07-98ER14925 and had the support of the Oregon Agricultural Experiment Station. NR 25 TC 8 Z9 8 U1 0 U2 17 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 J9 WATER RESOUR RES JI Water Resour. Res. PD OCT 17 PY 2009 VL 45 AR W00D39 DI 10.1029/2008WR006957 PG 10 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 508PV UT WOS:000270946200002 ER PT J AU Battaglia, M AF Battaglia, M. TI The role of an e(+)e(-) linear collider in the study of cosmic dark matter SO NEW JOURNAL OF PHYSICS LA English DT Article ID SUPERSYMMETRY; BENCHMARKS; WMAP; LHC; ABUNDANCE; BEAMS; LEP AB The potential of a high energy, high luminosity e(+) e(-) linear collider in the study of a weakly interacting massive new particle as a cosmic dark matter candidate is reviewed, with special emphasis on supersymmetric scenarios. Results of detailed simulation studies for supersymmetric neutralino dark matter indicate that the accuracy from linear collider data of sufficient energy may allow us to infer the dark matter relic density to accuracies comparable to those already obtained from the study of cosmic microwave background and other astrophysical data, thus providing a powerful test on the nature of dark matter by combining results from particle colliders with satellite and direct detection experiment data. C1 [Battaglia, M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Battaglia, M.] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Battaglia, M (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM MBattaglia@lbl.gov NR 74 TC 5 Z9 5 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD OCT 16 PY 2009 VL 11 AR 105025 DI 10.1088/1367-2630/11/10/105025 PG 17 WC Physics, Multidisciplinary SC Physics GA 509QP UT WOS:000271033500023 ER PT J AU Duffy, LD van Bibber, K AF Duffy, Leanne D. van Bibber, Karl TI Axions as dark matter particles SO NEW JOURNAL OF PHYSICS LA English DT Article ID LARGE-SCALE STRUCTURE; STRONG CP PROBLEM; INVISIBLE-AXION; LIGHT PSEUDOSCALARS; GOLDSTONE BOSONS; GLOBAL STRINGS; COSMIC STRINGS; HARMLESS AXION; EARLY UNIVERSE; COSMOLOGY AB We overview the current status of axions as dark matter. The axion is the pseudo-Nambu-Goldstone boson which arises from the Peccei-Quinn solution to the strong CP problem. Additionally, cold axion populations that can contribute to the dark matter of the universe will be generated via this mechanism. After reviewing these topics, we focus on constraints from the laboratory, astrophysics and cosmology. We discuss the current status of experimental searches and the consequences of the distribution of dark matter axions in the galactic halo for these searches. The axion remains an excellent candidate for the dark matter and future experiments, particularly the Axion Dark Matter eXperiment (ADMX), will cover a large fraction of the axion parameter space. C1 [Duffy, Leanne D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [van Bibber, Karl] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [van Bibber, Karl] USN, Postgrad Sch, Monterey, CA 93943 USA. RP Duffy, LD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM lduffy@lanl.gov; kvanbibber@llnl.gov OI Duffy, Leanne/0000-0002-0123-6723 FU US Department of Energy [DE-AC52-07-NA27344, LLNL-JRNL-412070, DE-AC52-06NA25396, LA-UR09-02007]; Los Alamos National Laboratory; Lawrence Livermore and Los Alamos National Laboratories FX This work at Lawrence Livermore National Laboratory was supported in part by the US Department of Energy under contract no. DE-AC52-07NA27344 and is approved for publication under LLNL-JRNL-412070. At Los Alamos National Laboratory, this work was supported in part by the National Nuclear Security Administration of the US Department of Energy under contract no. DE-AC52-06NA25396 and is approved for publication under LA-UR09-02007. The support of the Laboratory Directed Research and Development Program for enabling technology development at both Lawrence Livermore and Los Alamos National Laboratories is gratefully acknowledged. NR 83 TC 39 Z9 39 U1 1 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD OCT 16 PY 2009 VL 11 AR 105008 DI 10.1088/1367-2630/11/10/105008 PG 20 WC Physics, Multidisciplinary SC Physics GA 509QP UT WOS:000271033500006 ER PT J AU Halzen, F Hooper, D AF Halzen, Francis Hooper, Dan TI The indirect search for dark matter with IceCube SO NEW JOURNAL OF PHYSICS LA English DT Article ID HIGH-ENERGY NEUTRINOS; PARTICLE; CANDIDATES; LIMITS; SOLAR; SUN AB We revisit the prospects for IceCube and similar kilometer-scale telescopes to detect neutrinos produced by the annihilation of weakly interacting massive dark matter particles (WIMPs) in the Sun. We emphasize that the astrophysics of the problem is understood; models can be observed or, alternatively, ruled out. In searching for a WIMP with spin-independent interactions with ordinary matter, IceCube is only competitive with direct detection experiments if the WIMP mass is sufficiently large. For spin-dependent interactions IceCube already has improved the best limits on spin-dependent WIMP cross sections by two orders of magnitude. This is largely due to the fact that models with significant spin-dependent couplings to protons are the least constrained and, at the same time, the most promising because of the efficient capture of WIMPs in the Sun. We identify models where dark matter particles are beyond the reach of any planned direct detection experiments while being within reach of neutrino telescopes. In summary, we find that, even when contemplating recent direct detection results, neutrino telescopes have the opportunity to play an important as well as complementary role in the search for particle dark matter. C1 [Halzen, Francis] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Hooper, Dan] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Hooper, Dan] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. RP Halzen, F (reprint author), Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. EM halzen@icecube.wisc.edu; dhooper@fnal.gov NR 36 TC 25 Z9 25 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD OCT 16 PY 2009 VL 11 AR 105019 DI 10.1088/1367-2630/11/10/105019 PG 17 WC Physics, Multidisciplinary SC Physics GA 509QP UT WOS:000271033500017 ER PT J AU Konar, P Kong, K Matchev, KT Perelstein, M AF Konar, Partha Kong, Kyoungchul Matchev, Konstantin T. Perelstein, Maxim TI Shedding light on the dark sector with direct WIMP production SO NEW JOURNAL OF PHYSICS LA English DT Article ID INTERNATIONAL LINEAR COLLIDER; E&E ANNIHILATION; SUPERSYMMETRIC PARTICLES; RADIATIVE PRODUCTION; PHOTON PRODUCTION; PHOTINOS; SIGNALS; SNEUTRINOS; MATTER AB A weakly interacting massive particle (WIMP) provides an attractive dark matter candidate, and should be within reach of the next generation of high-energy colliders. We consider the process of direct WIMP pair-production, accompanied by an initial-state radiation photon, in electron-positron collisions at the proposed International Linear Collider (ILC). We present a parametrization of the differential cross section for this process which conveniently separates the model-independent information provided by cosmology from the model-dependent inputs from particle physics. As an application, we consider two simple models, one supersymmetric and another of the 'universal extra dimensions' (UED) type. The discovery reach of the ILC and the expected precision of parameter measurements are studied in each model. In addition, for each of the two examples, we also investigate the ability of the ILC to distinguish between the two models through a shape-discrimination analysis of the photon energy spectrum. We show that with sufficient beam polarization the alternative model interpretation can be ruled out in a large part of the relevant parameter space. C1 [Konar, Partha; Matchev, Konstantin T.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Kong, Kyoungchul] Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. [Perelstein, Maxim] Cornell Univ, Inst High Energy Phenomenol, Newman Lab Elementary Particle Phys, Ithaca, NY 14853 USA. RP Matchev, KT (reprint author), Univ Florida, Dept Phys, Gainesville, FL 32611 USA. EM matchev@phys.ufl.edu OI Konar, Partha/0000-0001-8796-1688 FU US Department of Energy [DE-FG02-97ER41029]; NSF [PHY-0355005]; LLC [DE-AC02-07CH11359]; US Department of Energy FX We thank Hye-Sung Lee for collaboration in the early stage of this project. KM and MP thank the Kavli Institute for Theoretical Physics (KITP) in Santa Barbara, where parts of this work were completed. PK and KM are supported in part by a US Department of Energy grant DE-FG02-97ER41029. MP is supported by the NSF grant PHY-0355005. Fermilab is operated by Fermi Research Alliance, LLC under contract no. DE-AC02-07CH11359 with the US Department of Energy. NR 59 TC 34 Z9 34 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD OCT 16 PY 2009 VL 11 AR 105004 DI 10.1088/1367-2630/11/10/105004 PG 16 WC Physics, Multidisciplinary SC Physics GA 509QP UT WOS:000271033500002 ER PT J AU Serpico, PD Hooper, D AF Serpico, Pasquale Dario Hooper, Dan TI Gamma rays from dark matter annihilation in the central region of the Galaxy SO NEW JOURNAL OF PHYSICS LA English DT Article ID GALACTIC-CENTER; NEUTRALINO ANNIHILATION; MILKY-WAY; INNER STRUCTURE; BLACK-HOLE; HALOES; RADIATION; DIRECTION; BREAKING AB In this paper, we review the prospects for the Fermi satellite (formerly known as GLAST) to detect gamma rays from dark matter annihilations in the Central Region of the Milky Way, in particular, in the light of the recent observations and discoveries of Imaging Atmospheric Cherenkov Telescopes. While the existence of significant astrophysical backgrounds in this part of the sky limits Fermi's discovery potential to some degree, this can be mitigated by exploiting the peculiar energy spectrum and angular distribution of the dark matter annihilation signal relative to those of astrophysical backgrounds. C1 [Serpico, Pasquale Dario] CERN, Div Phys, Theory Grp, CH-1211 Geneva 23, Switzerland. [Hooper, Dan] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Hooper, Dan] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. RP Serpico, PD (reprint author), CERN, Div Phys, Theory Grp, CH-1211 Geneva 23, Switzerland. EM serpico@cern.ch; dhooper@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; NASA [NNX08AH34G] FX PS would like to thank the Galileo Galilei Institute for Theoretical Physics for the hospitality and the INFN for partial support during the completion of this work. DH is supported in part by the Fermi Research Alliance, LLC under Contract no. DE-AC02-07CH11359 with the US Department of Energy and by NASA grant NNX08AH34G. NR 76 TC 10 Z9 10 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD OCT 16 PY 2009 VL 11 AR 105010 DI 10.1088/1367-2630/11/10/105010 PG 18 WC Physics, Multidisciplinary SC Physics GA 509QP UT WOS:000271033500008 ER PT J AU Zioutas, K Tsagri, M Semertzidis, Y Papaevangelou, T Dafni, T Anastassopoulos, V AF Zioutas, K. Tsagri, M. Semertzidis, Y. Papaevangelou, T. Dafni, T. Anastassopoulos, V. TI Axion searches with helioscopes and astrophysical signatures for axion(-like) particles SO NEW JOURNAL OF PHYSICS LA English DT Review ID RHESSI MICROFLARE STATISTICS; MAGNETIC-FIELD PROPERTIES; SOLAR-FLARE PRODUCTIVITY; STRONG CP PROBLEM; X-RAY; ACTIVE REGIONS; DARK-MATTER; COHERENT CONVERSION; LIGHT BOSON; HOT PLASMA AB Axions should be produced copiously in stars such as the Sun. The first part of this paper reviews the capabilities and performance of axion helioscopes. The mechanism they rely on is described and the experimental results for the interaction of solar axions and axion-like particles with matter are given. The second part is actually observationally driven. New results obtained with Monte Carlo simulation reconstruct solar observations, previously dismissed, supporting an axion(-like) involvement with m(a) approximate to 1-2 x 10(-2) eV c(-2). To further quantify the suggested solar observations as being originated by axions, additional theoretical work is needed. However, the recently suggested axion interaction with magnetic field gradients is a generic theoretical example that seems to reconcile for the first time current limits, derived from axion helioscopes, and potential axion-related solar x-ray activity, thus avoiding contradictions with the best experimental limits. Magnetic quadrupoles can be used to experimentally test this idea, thus becoming a new catalyst in axion experiments. Finally, a short outlook for the future is given, in view of the experimental expansion of axion research with the state-of-the-art orbiting x-ray observatories. C1 [Papaevangelou, T.] Ctr Etud Nucl Saclay, IRFU, Gif Sur Yvette, France. [Zioutas, K.; Tsagri, M.; Anastassopoulos, V.] Univ Patras, Patras, Greece. [Zioutas, K.] CERN, European Org Nucl Res, CH-1211 Geneva 23, Switzerland. [Semertzidis, Y.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Dafni, T.] Univ Zaragoza, Lab Fis Nucl & Astroparticulas, Zaragoza, Spain. RP Papaevangelou, T (reprint author), Ctr Etud Nucl Saclay, IRFU, Gif Sur Yvette, France. EM Thomas.Papaevangelou@cern.ch RI Dafni, Theopisti /J-9646-2012; Semertzidis, Yannis K./N-1002-2013; Papaevangelou, Thomas/G-2482-2016 OI Dafni, Theopisti /0000-0002-8921-910X; Papaevangelou, Thomas/0000-0003-2829-9158 FU GSRT; EU [EU-RII3-CT-2004-506222] FX We would like to thank the referees for their constructive comments and criticism concerning this paper; we do believe that, following their recommendations, the paper has gained in clarity and scientific value. We are grateful to the members of the CAST collaboration, for the use of CAST related results. Similarly, we also thank Professor Makoto Minowa from the Sumico collaboration. We gratefully acknowledge the support of Biljana Lakic and Magda Lola. One of us (KZ) thanks Hugh Hudson for informative discussions during his short visit at CERN. We thank Tullio Basaglia from the CERN library for providing promptly most of the publications used throughout this work. KZ thanks CERN for long years of hospitality and support of all kinds. We give credit to Eduardo Guendelman for allowing us to use the conversion probabilities he has calculated prior to publication. The support we have received from the Greek funding agency GSRT is gratefully acknowledged. This research was partially supported by the ILIAS (Integrated Large Infrastructures for Astroparticle Science) project funded by the EU under contract EU-RII3-CT-2004-506222. NR 111 TC 15 Z9 15 U1 1 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD OCT 16 PY 2009 VL 11 AR 105020 DI 10.1088/1367-2630/11/10/105020 PG 30 WC Physics, Multidisciplinary SC Physics GA 509QP UT WOS:000271033500018 ER PT J AU Aubert, B Bona, M Karyotakis, Y Lees, JP Poireau, V Prencipe, E Prudent, X Tisserand, V Tico, JG Grauges, E Lopez, L Palano, A Pappagallo, M Eigen, G Stugu, B Sun, L Battaglia, M Brown, DN Kerth, LT Kolomensky, YG Lynch, G Osipenkov, IL Tackmann, K Tanabe, T Hawkes, CM Soni, N Watson, AT Koch, H Schroeder, T Asgeirsson, DJ Fulsom, BG Hearty, C Mattison, TS McKenna, JA Barrett, M Khan, A Randle-Conde, A Blinov, VE Bukin, AD Buzykaev, AR Druzhinin, VP Golubev, VB Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Todyshev, KY Bondioli, M Curry, S Eschrich, I Kirkby, D Lankford, AJ Lund, P Mandelkern, M Martin, EC Stoker, DP Abachi, S Buchanan, C Atmacan, H Gary, JW Liu, F Long, O Vitug, GM Yasin, Z Zhang, L Sharma, V Campagnari, C Hong, TM Kovalskyi, D Mazur, MA Richman, JD Beck, TW Eisner, AM Heusch, CA Kroseberg, J Lockman, WS Martinez, AJ Schalk, T Schumm, BA Seiden, A Winstrom, LO Cheng, CH Doll, DA Echenard, B Fang, F Hitlin, DG Narsky, I Piatenko, T Porter, FC Andreassen, R Mancinelli, G Meadows, BT Mishra, K Sokoloff, MD Bloom, PC Ford, WT Gaz, A Hirschauer, JF Nagel, M Nauenberg, U Smith, JG Wagner, SR Ayad, R Soffer, A Toki, WH Wilson, RJ Feltresi, E Hauke, A Jasper, H Karbach, M Merkel, J Petzold, A Spaan, B Wacker, K Kobel, MJ Nogowski, R Schubert, KR Schwierz, R Volk, A Bernard, D Bonneaud, GR Latour, E Verderi, M Clark, PJ Playfer, S Watson, JE Andreotti, M Bettoni, D Bozzi, C Calabrese, R Cecchi, A Cibinetto, G Franchini, P Luppi, E Negrini, M Petrella, A Piemontese, L Santoro, V Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Pacetti, S Patteri, P Peruzzi, IM Piccolo, M Rama, M Zallo, A Contri, R Lo Vetere, M Monge, MR Passaggio, S Patrignani, C Robutti, E Tosi, S Chaisanguanthum, KS Morii, M Adametz, A Marks, J Schenk, S Uwer, U Bernlochner, FU Klose, V Lacker, HM Bard, DJ Dauncey, PD Tibbetts, M Behera, PK Chai, X Charles, MJ Mallik, U Cochran, J Crawley, HB Dong, L Meyer, WT Prell, S Rosenberg, EI Rubin, AE Gao, YY Gritsan, AV Guo, ZJ Arnaud, N Bequilleux, J D'Orazio, A Davier, M da Costa, JF Grosdidier, G Le Diberder, F Lepeltier, V Lutz, AM Pruvot, S Roudeau, P Schune, MH Serrano, J Sordini, V Stocchi, A Wormser, G Lange, DJ Wright, DM Bingham, I Burke, JP Chavez, CA Fry, JR Gabathuler, E Gamet, R Hutchcroft, DE Payne, DJ Touramanis, C Bevan, AJ Clarke, CK Di Lodovico, F Sacco, R Sigamani, M Cowan, G Paramesvaran, S Wren, AC Brown, DN Davis, CL Denig, AG Fritsch, M Gradl, W Alwyn, KE Bailey, D Barlow, RJ Jackson, G Lafferty, GD West, TJ Yi, JI Anderson, J Chen, C Jawahery, A Roberts, DA Simi, G Tuggle, JM Dallapiccola, C Salvati, E Saremi, S Cowan, R Dujmic, D Fisher, PH Henderson, SW Sciolla, G Spitznagel, M Taylor, F Yamamoto, RK Zhao, M Patel, PM Robertson, SH Lazzaro, A Lombardo, V Palombo, F Bauer, JM Cremaldi, L Godang, R Kroeger, R Summers, DJ Zhao, HW Simard, M Taras, P Nicholson, H De Nardo, G Lista, L Monorchio, D Onorato, G Sciacca, C Raven, G Snoek, HL Jessop, CP Knoepfel, KJ LoSecco, JM Wang, WF Corwin, LA Honscheid, K Kagan, H Kass, R Morris, JP Rahimi, AM Regensburger, JJ Sekula, SJ Wong, QK Blount, NL Brau, J Frey, R Igonkina, O Kolb, JA Lu, M Rahmat, R Sinev, NB Strom, D Strube, J Torrence, E Castelli, G Gagliardi, N Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Voci, C Sanchez, PD Ben-Haim, E Briand, H Chauveau, J Hamon, O Leruste, P Ocariz, J Perez, A Prendki, J Sitt, S Gladney, L Biasini, M Manoni, E Angelini, C Batignani, G Bettarini, S Calderini, G Carpinelli, M Cervelli, A Forti, F Giorgi, MA Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rizzo, G Walsh, JJ Pegna, DL Lu, C Olsen, J Smith, AJS Telnov, AV Anulli, F Baracchini, E Cavoto, G Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Jackson, PD Gioi, LL Mazzoni, MA Morganti, S Piredda, G Renga, F Voena, C Ebert, M Hartmann, T Schroder, H Waldi, R Adye, T Franek, B Olaiya, EO Wilson, FF Emery, S Esteve, L de Monchenault, GH Kozanecki, W Vasseur, G Yeche, C Zito, M Chen, XR Liu, H Park, W Purohit, MV White, RM Wilson, JR Allen, MT Aston, D Bartoldus, R Benitez, JF Cenci, R Coleman, JP Convery, MR Dingfelder, JC Dorfan, J Dubois-Felsmann, GP Dunwoodie, W Field, RC Gabareen, AM Graham, MT Grenier, P Hast, C Innes, WR Kaminski, J Kelsey, MH Kim, H Kim, P Kocian, ML Leith, DWGS Li, S Lindquist, B Luitz, S Luth, V Lynch, HL MacFarlane, DB Marsiske, H Messner, R Muller, DR Neal, H Nelson, S O'Grady, CP Ofte, I Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Su, D Sullivan, MK Suzuki, K Swain, SK Thompson, JM Va'vra, J Wagner, AP Weaver, M West, CA Wisniewski, WJ Wittgen, M Wright, DH Wulsin, HW Yarritu, AK Yi, K Young, CC Ziegler, V Burchat, PR Edwards, AJ Miyashita, TS Ahmed, S Alam, MS Ernst, JA Pan, B Saeed, MA Zain, SB Spanier, SM Wogsland, BJ Eckmann, R Ritchie, JL Ruland, AM Schilling, CJ Schwitters, RF Drummond, BW Izen, JM Lou, XC Bianchi, F Gamba, D Pelliccioni, M Bomben, M Bosisio, L Cartaro, C Della Ricca, G Lanceri, L Vitale, L Azzolini, V Lopez-March, N Martinez-Vidal, F Milanes, DA Oyanguren, A Albert, J Banerjee, S Bhuyan, B Choi, HHF Hamano, K King, GJ Kowalewski, R Lewczuk, MJ Nugent, IM Roney, JM Sobie, RJ Gershon, TJ Harrison, PF Ilic, J Latham, TE Mohanty, GB Puccio, EMT Band, HR Chen, X Dasu, S Flood, KT Pan, Y Prepost, R Vuosalo, CO Wu, SL AF Aubert, B. Bona, M. Karyotakis, Y. Lees, J. P. Poireau, V. Prencipe, E. Prudent, X. Tisserand, V. Garra Tico, J. Grauges, E. Lopez, L. Palano, A. Pappagallo, M. Eigen, G. Stugu, B. Sun, L. Battaglia, M. Brown, D. N. Kerth, L. T. Kolomensky, Yu. G. Lynch, G. Osipenkov, I. L. Tackmann, K. Tanabe, T. Hawkes, C. M. Soni, N. Watson, A. T. Koch, H. Schroeder, T. Asgeirsson, D. J. Fulsom, B. G. Hearty, C. Mattison, T. S. McKenna, J. A. Barrett, M. Khan, A. Randle-Conde, A. Blinov, V. E. Bukin, A. D. Buzykaev, A. R. Druzhinin, V. P. Golubev, V. B. Onuchin, A. P. Serednyakov, S. I. Skovpen, Yu. I. Solodov, E. P. Todyshev, K. Yu. Bondioli, M. Curry, S. Eschrich, I. Kirkby, D. Lankford, A. J. Lund, P. Mandelkern, M. Martin, E. C. Stoker, D. P. Abachi, S. Buchanan, C. Atmacan, H. Gary, J. W. Liu, F. Long, O. Vitug, G. M. Yasin, Z. Zhang, L. Sharma, V. Campagnari, C. Hong, T. M. Kovalskyi, D. Mazur, M. A. Richman, J. D. Beck, T. W. Eisner, A. M. Heusch, C. A. Kroseberg, J. Lockman, W. S. Martinez, A. J. Schalk, T. Schumm, B. A. Seiden, A. Winstrom, L. O. Cheng, C. H. Doll, D. A. Echenard, B. Fang, F. Hitlin, D. G. Narsky, I. Piatenko, T. Porter, F. C. Andreassen, R. Mancinelli, G. Meadows, B. T. Mishra, K. Sokoloff, M. D. Bloom, P. C. Ford, W. T. Gaz, A. Hirschauer, J. F. Nagel, M. Nauenberg, U. Smith, J. G. Wagner, S. R. Ayad, R. Soffer, A. Toki, W. H. Wilson, R. J. Feltresi, E. Hauke, A. Jasper, H. Karbach, M. Merkel, J. Petzold, A. Spaan, B. Wacker, K. Kobel, M. J. Nogowski, R. Schubert, K. R. Schwierz, R. Volk, A. Bernard, D. Bonneaud, G. R. Latour, E. Verderi, M. Clark, P. J. Playfer, S. Watson, J. E. Andreotti, M. Bettoni, D. Bozzi, C. Calabrese, R. Cecchi, A. Cibinetto, G. Franchini, P. Luppi, E. Negrini, M. Petrella, A. Piemontese, L. Santoro, V. Baldini-Ferroli, R. Calcaterra, A. de Sangro, R. Finocchiaro, G. Pacetti, S. Patteri, P. Peruzzi, I. M. Piccolo, M. Rama, M. Zallo, A. Contri, R. Lo Vetere, M. Monge, M. R. Passaggio, S. Patrignani, C. Robutti, E. Tosi, S. Chaisanguanthum, K. S. Morii, M. Adametz, A. Marks, J. Schenk, S. Uwer, U. Bernlochner, F. U. Klose, V. Lacker, H. M. Bard, D. J. Dauncey, P. D. Tibbetts, M. Behera, P. K. Chai, X. Charles, M. J. Mallik, U. Cochran, J. Crawley, H. B. Dong, L. Meyer, W. T. Prell, S. Rosenberg, E. I. Rubin, A. E. Gao, Y. Y. Gritsan, A. V. Guo, Z. J. Arnaud, N. Bequilleux, J. D'Orazio, A. Davier, M. da Costa, J. Firmino Grosdidier, G. Le Diberder, F. Lepeltier, V. Lutz, A. M. Pruvot, S. Roudeau, P. Schune, M. H. Serrano, J. Sordini, V. Stocchi, A. Wormser, G. Lange, D. J. Wright, D. M. Bingham, I. Burke, J. P. Chavez, C. A. Fry, J. R. Gabathuler, E. Gamet, R. Hutchcroft, D. E. Payne, D. J. Touramanis, C. Bevan, A. J. Clarke, C. K. Di Lodovico, F. Sacco, R. Sigamani, M. Cowan, G. Paramesvaran, S. Wren, A. C. Brown, D. N. Davis, C. L. Denig, A. G. Fritsch, M. Gradl, W. Alwyn, K. E. Bailey, D. Barlow, R. J. Jackson, G. Lafferty, G. D. West, T. J. Yi, J. I. Anderson, J. Chen, C. Jawahery, A. Roberts, D. A. Simi, G. Tuggle, J. M. Dallapiccola, C. Salvati, E. Saremi, S. Cowan, R. Dujmic, D. Fisher, P. H. Henderson, S. W. Sciolla, G. Spitznagel, M. Taylor, F. Yamamoto, R. K. Zhao, M. Patel, P. M. Robertson, S. H. Lazzaro, A. Lombardo, V. Palombo, F. Bauer, J. M. Cremaldi, L. Godang, R. Kroeger, R. Summers, D. J. Zhao, H. W. Simard, M. Taras, P. Nicholson, H. De Nardo, G. Lista, L. Monorchio, D. Onorato, G. Sciacca, C. Raven, G. Snoek, H. L. Jessop, C. P. Knoepfel, K. J. LoSecco, J. M. Wang, W. F. Corwin, L. A. Honscheid, K. Kagan, H. Kass, R. Morris, J. P. Rahimi, A. M. Regensburger, J. J. Sekula, S. J. Wong, Q. K. Blount, N. L. Brau, J. Frey, R. Igonkina, O. Kolb, J. A. Lu, M. Rahmat, R. Sinev, N. B. Strom, D. Strube, J. Torrence, E. Castelli, G. Gagliardi, N. Margoni, M. Morandin, M. Posocco, M. Rotondo, M. Simonetto, F. Stroili, R. Voci, C. Sanchez, P. del Amo Ben-Haim, E. Briand, H. Chauveau, J. Hamon, O. Leruste, Ph. Ocariz, J. Perez, A. Prendki, J. Sitt, S. Gladney, L. Biasini, M. Manoni, E. Angelini, C. Batignani, G. Bettarini, S. Calderini, G. Carpinelli, M. Cervelli, A. Forti, F. Giorgi, M. A. Lusiani, A. Marchiori, G. Morganti, M. Neri, N. Paoloni, E. Rizzo, G. Walsh, J. J. Pegna, D. Lopes Lu, C. Olsen, J. Smith, A. J. S. Telnov, A. V. Anulli, F. Baracchini, E. Cavoto, G. Faccini, R. Ferrarotto, F. Ferroni, F. Gaspero, M. Jackson, P. D. Gioi, L. Li Mazzoni, M. A. Morganti, S. Piredda, G. Renga, F. Voena, C. Ebert, M. Hartmann, T. Schroeder, H. Waldi, R. Adye, T. Franek, B. Olaiya, E. O. Wilson, F. F. Emery, S. Esteve, L. de Monchenault, G. Hamel Kozanecki, W. Vasseur, G. Yeche, Ch. Zito, M. Chen, X. R. Liu, H. Park, W. Purohit, M. V. White, R. M. Wilson, J. R. Allen, M. T. Aston, D. Bartoldus, R. Benitez, J. F. Cenci, R. Coleman, J. P. Convery, M. R. Dingfelder, J. C. Dorfan, J. Dubois-Felsmann, G. P. Dunwoodie, W. Field, R. C. Gabareen, A. M. Graham, M. T. Grenier, P. Hast, C. Innes, W. R. Kaminski, J. Kelsey, M. H. Kim, H. Kim, P. Kocian, M. L. Leith, D. W. G. S. Li, S. Lindquist, B. Luitz, S. Luth, V. Lynch, H. L. MacFarlane, D. B. Marsiske, H. Messner, R. Muller, D. R. Neal, H. Nelson, S. O'Grady, C. P. Ofte, I. Perl, M. Ratcliff, B. N. Roodman, A. Salnikov, A. A. Schindler, R. H. Schwiening, J. Snyder, A. Su, D. Sullivan, M. K. Suzuki, K. Swain, S. K. Thompson, J. M. Va'vra, J. Wagner, A. P. Weaver, M. West, C. A. Wisniewski, W. J. Wittgen, M. Wright, D. H. Wulsin, H. W. Yarritu, A. K. Yi, K. Young, C. C. Ziegler, V. Burchat, P. R. Edwards, A. J. Miyashita, T. S. Ahmed, S. Alam, M. S. Ernst, J. A. Pan, B. Saeed, M. A. Zain, S. B. Spanier, S. M. Wogsland, B. J. Eckmann, R. Ritchie, J. L. Ruland, A. M. Schilling, C. J. Schwitters, R. F. Drummond, B. W. Izen, J. M. Lou, X. C. Bianchi, F. Gamba, D. Pelliccioni, M. Bomben, M. Bosisio, L. Cartaro, C. Della Ricca, G. Lanceri, L. Vitale, L. Azzolini, V. Lopez-March, N. Martinez-Vidal, F. Milanes, D. A. Oyanguren, A. Albert, J. Banerjee, Sw. Bhuyan, B. Choi, H. H. F. Hamano, K. King, G. J. Kowalewski, R. Lewczuk, M. J. Nugent, I. M. Roney, J. M. Sobie, R. J. Gershon, T. J. Harrison, P. F. Ilic, J. Latham, T. E. Mohanty, G. B. Puccio, E. M. T. Band, H. R. Chen, X. Dasu, S. Flood, K. T. Pan, Y. Prepost, R. Vuosalo, C. O. Wu, S. L. CA BABAR Collaboration TI Evidence for the eta(b)(1S) Meson in Radiative Y(2S) Decay SO PHYSICAL REVIEW LETTERS LA English DT Article ID ANNIHILATION; QUARKONIUM; PHYSICS; JETS; QCD AB We have performed a search for the eta(b)(1S) meson in the radiative decay of the Y(2S) resonance using a sample of 91.6 x 10(6) Y(2S) events recorded with the BABAR detector at the PEP-II B factory at the SLAC National Accelerator Laboratory. We observe a peak in the photon energy spectrum at E-gamma = 609.3(-4.5)(+4.6)(stat) +/- 1.9(syst) MeV, corresponding to an eta(b)(1S) mass of 9394.2(-4.9)(+4.8)(stat) +/- 2.0(syst) MeV/c(2). The branching fraction for the decay Y(2S) --> gamma eta(b)(1S) is determined to be 3.9 +/- 1.1(stat)(-0.9)(+1.1)(syst)] x 10(-4). We find the ratio of branching fractions B[Y(2S) --> gamma eta(b)(1S)]/B[Y(3S) --> gamma eta(b)(1S)] = 0.82 +/- 0.24(stat)(-0.19)(+0.20)(syst). C1 [Aubert, B.; Bona, M.; Karyotakis, Y.; Lees, J. P.; Poireau, V.; Prencipe, E.; Prudent, X.; Tisserand, V.] CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. [Aubert, B.; Bona, M.; Karyotakis, Y.; Lees, J. P.; Poireau, V.; Prencipe, E.; Prudent, X.; Tisserand, V.] Univ Savoie, F-74941 Annecy Le Vieux, France. [Garra Tico, J.; Grauges, E.] Univ Barcelona, Fac Fis, Dept Estructura & Constituents Mat, E-08028 Barcelona, Spain. [Lopez, L.; Palano, A.; Pappagallo, M.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Lopez, L.; Palano, A.; Pappagallo, M.] Univ Bari, Dipartmento Fis, I-70126 Bari, Italy. [Eigen, G.; Stugu, B.; Sun, L.] Univ Bergen, Inst Phys, N-5007 Bergen, Norway. [Battaglia, M.; Brown, D. N.; Kerth, L. T.; Kolomensky, Yu. G.; Lynch, G.; Osipenkov, I. L.; Tackmann, K.; Tanabe, T.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Hawkes, C. M.; Soni, N.; Watson, A. T.] Univ Birmingham, Birmingham B15 2TT, W Midlands, England. [Koch, H.; Schroeder, T.] Ruhr Univ Bochum, Inst Expt Phys, D-44780 Bochum, Germany. [Asgeirsson, D. J.; Fulsom, B. G.; Hearty, C.; Mattison, T. S.; McKenna, J. A.] Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. [Barrett, M.; Khan, A.; Randle-Conde, A.] Brunel Univ, Uxbridge UB8 3PH, Middx, England. [Blinov, V. E.; Bukin, A. D.; Buzykaev, A. R.; Druzhinin, V. P.; Golubev, V. B.; Onuchin, A. P.; Serednyakov, S. I.; Skovpen, Yu. I.; Solodov, E. P.; Todyshev, K. Yu.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Bondioli, M.; Curry, S.; Eschrich, I.; Kirkby, D.; Lankford, A. J.; Lund, P.; Mandelkern, M.; Martin, E. C.; Stoker, D. P.] Univ Calif Irvine, Irvine, CA 92697 USA. [Abachi, S.; Buchanan, C.] Univ Calif Los Angeles, Los Angeles, CA 90024 USA. [Atmacan, H.; Gary, J. 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E.; Mohanty, G. B.; Puccio, E. M. T.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Band, H. R.; Chen, X.; Dasu, S.; Flood, K. T.; Pan, Y.; Prepost, R.; Vuosalo, C. O.; Wu, S. L.] Univ Wisconsin, Madison, WI 53706 USA. [Carpinelli, M.] Univ Sassari, I-07100 Sassari, Italy. RP Aubert, B (reprint author), CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Calabrese, Roberto/G-4405-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Lusiani, Alberto/N-2976-2015; Morandin, Mauro/A-3308-2016; Lusiani, Alberto/A-3329-2016; Di Lodovico, Francesca/L-9109-2016; Pappagallo, Marco/R-3305-2016; Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016; Patrignani, Claudia/C-5223-2009; Monge, Maria Roberta/G-9127-2012; Oyanguren, Arantza/K-6454-2014; Luppi, Eleonora/A-4902-2015; White, Ryan/E-2979-2015; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012; de Sangro, Riccardo/J-2901-2012; Saeed, Mohammad Alam/J-7455-2012; Della Ricca, Giuseppe/B-6826-2013; Negrini, Matteo/C-8906-2014 OI Raven, Gerhard/0000-0002-2897-5323; Calabrese, Roberto/0000-0002-1354-5400; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Lusiani, Alberto/0000-0002-6876-3288; Di Lodovico, Francesca/0000-0003-3952-2175; Pappagallo, Marco/0000-0001-7601-5602; Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636; Patrignani, Claudia/0000-0002-5882-1747; Monge, Maria Roberta/0000-0003-1633-3195; Oyanguren, Arantza/0000-0002-8240-7300; Luppi, Eleonora/0000-0002-1072-5633; White, Ryan/0000-0003-3589-5900; Neri, Nicola/0000-0002-6106-3756; Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163; de Sangro, Riccardo/0000-0002-3808-5455; Saeed, Mohammad Alam/0000-0002-3529-9255; Della Ricca, Giuseppe/0000-0003-2831-6982; Negrini, Matteo/0000-0003-0101-6963 FU DOE; NSF (USA); NSERC (Canada); CEA; CNRS-IN2P3 (France); BMBF; DFG (Germany); INFN (Italy); FOM (The Netherlands); NFR (Norway); MES (Russia); MEC (Spain); STFC (United Kingdom); Marie Curie EIF (European Union); A. P. Sloan Foundation. FX We are grateful for the excellent luminosity and machine conditions provided by our PEP-II colleagues, and for the substantial dedicated effort from the computing organizations that support BABAR. The collaborating institutions wish to thank SLAC for its support and kind hospitality. This work is supported by DOE and NSF (USA), NSERC (Canada), CEA and CNRS-IN2P3 (France), BMBF and DFG (Germany), INFN (Italy), FOM (The Netherlands), NFR (Norway), MES (Russia), MEC (Spain), and STFC (United Kingdom). Individuals have received support from the Marie Curie EIF (European Union) and the A. P. Sloan Foundation. NR 23 TC 63 Z9 63 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 16 PY 2009 VL 103 IS 16 AR 161801 DI 10.1103/PhysRevLett.103.161801 PG 7 WC Physics, Multidisciplinary SC Physics GA 508AP UT WOS:000270899500017 ER PT J AU Mihajlovic, G Pearson, JE Garcia, MA Bader, SD Hoffmann, A AF Mihajlovic, G. Pearson, J. E. Garcia, M. A. Bader, S. D. Hoffmann, A. TI Negative Nonlocal Resistance in Mesoscopic Gold Hall Bars: Absence of the Giant Spin Hall Effect SO PHYSICAL REVIEW LETTERS LA English DT Article ID FERROMAGNET-SEMICONDUCTOR INTERFACE; ELECTRICAL DETECTION; INJECTION; FLUCTUATIONS; TRANSMISSION; DEVICES; WIRES AB We report the observation of negative nonlocal resistances in multiterminal mesoscopic gold Hall bar structures whose characteristic dimensions are larger than the electron mean-free path. Our results can only be partially explained by a classical diffusive model of the nonlocal transport, and are not consistent with a recently proposed model based on spin Hall effects. Instead, our analysis suggests that a quasiballistic transport mechanism is responsible for the observed negative nonlocal resistance. Based on the sensitivity of our measurements and the spin Hall effect model, we find an upper limit for the spin Hall angle in gold of 0.023 at 4.5 K. C1 [Mihajlovic, G.; Pearson, J. E.; Bader, S. D.; Hoffmann, A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Garcia, M. A.] Univ Complutense Madrid, Dpto Fis Mat, E-28040 Madrid, Spain. [Bader, S. D.; Hoffmann, A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Mihajlovic, G (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mihajlovic@anl.gov RI Bader, Samuel/A-2995-2013; Hoffmann, Axel/A-8152-2009; Garcia, Miguel Angel/N-3043-2016 OI Hoffmann, Axel/0000-0002-1808-2767; Garcia, Miguel Angel/0000-0001-9972-2182 FU DOE BES [DE-AC02-06CH11357] FX We thank Dimitrie Culcer, Roland Winkler, Oleksandr Mosendz, and Sadamichi Maekawa for useful discussions and comments. This work was supported by DOE BES under Contract No. DE-AC02-06CH11357. NR 26 TC 51 Z9 51 U1 6 U2 24 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 16 PY 2009 VL 103 IS 16 AR 166601 DI 10.1103/PhysRevLett.103.166601 PG 4 WC Physics, Multidisciplinary SC Physics GA 508AP UT WOS:000270899500041 PM 19905713 ER PT J AU Pierce, MS Chang, KC Hennessy, D Komanicky, V Sprung, M Sandy, A You, H AF Pierce, M. S. Chang, K. C. Hennessy, D. Komanicky, V. Sprung, M. Sandy, A. You, H. TI Surface X-Ray Speckles: Coherent Surface Diffraction from Au(001) SO PHYSICAL REVIEW LETTERS LA English DT Article ID RECONSTRUCTION; GOLD; SCATTERING; FLUCTUATIONS; REFLECTIVITY; MECHANISM; PHASES; DOMAIN AB We present coherent speckled x-ray diffraction patterns obtained from a monolayer of surface atoms. We measured both the specular anti-Bragg reflection and the off-specular hexagonal reconstruction peak for the Au(001) surface reconstruction. We observed fluctuations of the speckle patterns even when the integrated intensity appears static. By autocorrelating the speckle patterns, we were able to identify two qualitatively different surface dynamic behaviors of the hex reconstruction depending on the sample temperature. C1 [Pierce, M. S.; Chang, K. C.; Hennessy, D.; Komanicky, V.; You, H.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Komanicky, V.] Safarik Univ, Fac Sci, Kosice 04001, Slovakia. [Sprung, M.; Sandy, A.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Sprung, M.] DESY, HASYLAB, D-2000 Hamburg, Germany. RP Pierce, MS (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Hennessy, Daniel/A-6203-2011; Pierce, Michael/D-5570-2014; Chang, Kee-Chul/O-9938-2014; You, Hoydoo/A-6201-2011 OI Pierce, Michael/0000-0002-9209-8556; Chang, Kee-Chul/0000-0003-1775-2148; You, Hoydoo/0000-0003-2996-9483 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work and use of the Advanced Photon Source were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 28 TC 20 Z9 20 U1 1 U2 23 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 16 PY 2009 VL 103 IS 16 AR 165501 DI 10.1103/PhysRevLett.103.165501 PG 4 WC Physics, Multidisciplinary SC Physics GA 508AP UT WOS:000270899500035 PM 19905707 ER PT J AU Reichhardt, C Reichhardt, CJO AF Reichhardt, C. Reichhardt, C. J. Olson TI Random Organization and Plastic Depinning SO PHYSICAL REVIEW LETTERS LA English DT Article ID HYDRODYNAMIC INTERACTIONS; II SUPERCONDUCTORS; VORTEX DYNAMICS; RANDOM-MEDIA; FLUX-FLOW; LATTICE; TRANSPORT; THRESHOLD; NETWORKS; VORTICES AB We provide evidence that the general phenomenon of plastic depinning can be described as an absorbing phase transition, and shows the same features as the random organization which was recently studied in periodically driven particle systems [L. Corte et al., Nature Phys. 4, 420 (2008)]. In the plastic flow system, the pinned regime corresponds to the absorbing state and the moving state corresponds to the fluctuating state. When an external force is suddenly applied, the system eventually organizes into one of these two states with a time scale that diverges as a power law at a nonequilibrium transition. We propose a simple experiment to test for this transition in systems with random disorder. C1 [Reichhardt, C.; Reichhardt, C. J. Olson] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Reichhardt, C (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Reichhardt, Cynthia/0000-0002-3487-5089 FU NNSA; U.S. DoE at LANL [DE-AC52-06NA25396] FX This work was carried out under the auspices of the NNSA of the U.S. DoE at LANL under Contract No. DE-AC52-06NA25396. NR 37 TC 33 Z9 33 U1 0 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 16 PY 2009 VL 103 IS 16 AR 168301 DI 10.1103/PhysRevLett.103.168301 PG 4 WC Physics, Multidisciplinary SC Physics GA 508AP UT WOS:000270899500058 PM 19905729 ER PT J AU Sandberg, I Benkadda, S Garbet, X Ropokis, G Hizanidis, K del-Castillo-Negrete, D AF Sandberg, I. Benkadda, S. Garbet, X. Ropokis, G. Hizanidis, K. del-Castillo-Negrete, D. TI Universal Probability Distribution Function for Bursty Transport in Plasma Turbulence SO PHYSICAL REVIEW LETTERS LA English DT Article ID TOKAMAK EDGE TURBULENCE; DEVICES AB Bursty transport phenomena associated with convective motion present universal statistical characteristics among different physical systems. In this Letter, a stochastic univariate model and the associated probability distribution function for the description of bursty transport in plasma turbulence is presented. The proposed stochastic process recovers the universal distribution of density fluctuations observed in plasma edge of several magnetic confinement devices and the remarkable scaling between their skewness S and kurtosis K. Similar statistical characteristics of variabilities have been also observed in other physical systems that are characterized by convection such as the x-ray fluctuations emitted by the Cygnus X-1 accretion disc plasmas and the sea surface temperature fluctuations. C1 [Sandberg, I.; Hizanidis, K.] Natl Tech Univ Athens, Assoc Euratom Hellen Republ, GR-15773 Athens, Greece. [Sandberg, I.; Ropokis, G.] Inst Space Applicat & Remote Sensing, Natl Observ Athens, Penteli 15236, Greece. [Benkadda, S.] Univ Aix Marseille 1, CNRS, France Japan Magnet Fus Lab, LIA 336,UMR 6633, Marseille, France. [Garbet, X.] CEA Cadarache, IRFM, F-13108 St Paul Les Durance, France. [del-Castillo-Negrete, D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Sandberg, I (reprint author), Natl Tech Univ Athens, Assoc Euratom Hellen Republ, GR-15773 Athens, Greece. RI Sandberg, Ingmar/C-6053-2014; OI del-Castillo-Negrete, Diego/0000-0001-7183-801X FU Oak Ridge National Laboratory; European Atomic Energy Community and the Hellenic Republic [ERB 5005 CT 99 0100] FX I. S. acknowledges fruitful discussions with Yu. Khotyaintsev, F. Lepreti, and A. Anastasiadis. D.C.N. acknowledges support from the Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. This work was supported under the Contract of Association ERB 5005 CT 99 0100 between the European Atomic Energy Community and the Hellenic Republic. The content of the publication is the sole responsibility of its author (s) and it does not necessarily represent the views of the Commission or its services. NR 15 TC 19 Z9 19 U1 3 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 16 PY 2009 VL 103 IS 16 AR 165001 DI 10.1103/PhysRevLett.103.165001 PG 4 WC Physics, Multidisciplinary SC Physics GA 508AP UT WOS:000270899500029 PM 19905701 ER PT J AU Schmitz, O Evans, TE Fenstermacher, ME Unterberg, EA Austin, ME Bray, BD Brooks, NH Frerichs, H Groth, M Jakubowski, MW Lasnier, CJ Lehnen, M Leonard, AW Mordijck, S Moyer, RA Osborne, TH Reiter, D Samm, U Schaffer, MJ Unterberg, B West, WP AF Schmitz, O. Evans, T. E. Fenstermacher, M. E. Unterberg, E. A. Austin, M. E. Bray, B. D. Brooks, N. H. Frerichs, H. Groth, M. Jakubowski, M. W. Lasnier, C. J. Lehnen, M. Leonard, A. W. Mordijck, S. Moyer, R. A. Osborne, T. H. Reiter, D. Samm, U. Schaffer, M. J. Unterberg, B. West, W. P. CA DIII-D Res Team TEXTOR Res Team TI Resonant Pedestal Pressure Reduction Induced by a Thermal Transport Enhancement due to Stochastic Magnetic Boundary Layers in High Temperature Plasmas SO PHYSICAL REVIEW LETTERS LA English DT Article ID ERGODIC DIVERTOR; H-MODE; TOKAMAK; TEXTOR; STABILITY; EDGE AB Good alignment of the magnetic field line pitch angle with the mode structure of an external resonant magnetic perturbation (RMP) field is shown to induce modulation of the pedestal electron pressure p(e) in high confinement high rotation plasmas at the DIII-D tokamak with a shape similar to ITER, the next step tokamak experiment. This is caused by an edge safety factor q(95) resonant enhancement of the thermal transport, while in contrast, the RMP induced particle pump out does not show a significant resonance. The measured p(e) reduction correlates to an increase in the modeled stochastic layer width during pitch angle variations matching results from resistive low rotation plasmas at the TEXTOR tokamak. These findings suggest a field line pitch angle resonant formation of a stochastic magnetic edge layer as an explanation for the q(95) resonant character of type-I edge localized mode suppression by RMPs. C1 [Schmitz, O.; Frerichs, H.; Lehnen, M.; Reiter, D.; Samm, U.; Unterberg, B.] Forschungszentrum Julich, Plasma Phys IEF4, D-52428 Julich, Germany. [Evans, T. E.; Austin, M. E.; Bray, B. D.; Brooks, N. H.; Leonard, A. W.; Osborne, T. H.; Schaffer, M. J.; West, W. P.] Gen Atom Co, San Diego, CA 92186 USA. [Fenstermacher, M. E.; Groth, M.; Lasnier, C. J.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Unterberg, E. A.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Jakubowski, M. W.] Max Planck Inst Plasma Phys, Greifswald, Germany. [Mordijck, S.; Moyer, R. A.] Univ Calif San Diego, La Jolla, CA 92093 USA. RP Schmitz, O (reprint author), Forschungszentrum Julich, Plasma Phys IEF4, D-52428 Julich, Germany. RI Groth, Mathias/G-2227-2013; Unterberg, Ezekial/F-5240-2016; OI Unterberg, Ezekial/0000-0003-1353-8865; Unterberg, Bernhard/0000-0003-0866-957X FU U.S. Department of Energy [DE-FC02-04ER54698, DE-AC52-07NA27344, DE-AC05-06ER23100, DE-FG02-07ER54917] FX This work was supported in part by the U.S. Department of Energy under Grants No. DE-FC02-04ER54698, No. DE-AC52-07NA27344, No. DE-AC05-06ER23100, and No. DE-FG02-07ER54917. NR 30 TC 39 Z9 39 U1 0 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 16 PY 2009 VL 103 IS 16 AR 165005 DI 10.1103/PhysRevLett.103.165005 PG 4 WC Physics, Multidisciplinary SC Physics GA 508AP UT WOS:000270899500033 PM 19905705 ER PT J AU Sessi, P Guisinger, NP Guest, JR Bode, M AF Sessi, P. Guisinger, N. P. Guest, J. R. Bode, M. TI Temperature and Size Dependence of Antiferromagnetism in Mn Nanostructures SO PHYSICAL REVIEW LETTERS LA English DT Article ID VICINAL W(110) SURFACES; MAGNETISM; MICROSCOPY; FE(110); GROWTH; FE; CO AB We report on variable-temperature STM investigations of the spontaneous long-range magnetic order of Mn monolayer nanostructures epitaxially grown on stepped W(110). The measurements reveal that the onset of the antiferromagnetic order is closely related to the Mn nanostructure width along the [001] direction, with a decreasing Neel temperature as we move from a 2D toward a quasi-1D system. In contrast, lateral confinement along the [1 (1) over bar0] direction seems to play a less important role. The results are discussed in terms of anisotropic exchange coupling and of boundary effects, both potentially stabilizing long-range magnetic order in nanostructures confined in the [1 (1) over bar0] direction. C1 [Sessi, P.] Politecn Milan, CNISM, Dipartimento Fis, I-20133 Milan, Italy. [Guisinger, N. P.; Guest, J. R.; Bode, M.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Sessi, P (reprint author), Politecn Milan, CNISM, Dipartimento Fis, I-20133 Milan, Italy. RI Guest, Jeffrey/B-2715-2009; Sessi, Paolo/L-6186-2015; Bode, Matthias/S-3249-2016 OI Guest, Jeffrey/0000-0002-9756-8801; Sessi, Paolo/0000-0003-1261-0386; Bode, Matthias/0000-0001-7514-5560 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 24 TC 11 Z9 11 U1 0 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 16 PY 2009 VL 103 IS 16 AR 167201 DI 10.1103/PhysRevLett.103.167201 PG 4 WC Physics, Multidisciplinary SC Physics GA 508AP UT WOS:000270899500047 PM 19905719 ER PT J AU Sonier, JE Pacradouni, V Sabok-Sayr, SA Hardy, WN Bonn, DA Liang, R Mook, HA AF Sonier, J. E. Pacradouni, V. Sabok-Sayr, S. A. Hardy, W. N. Bonn, D. A. Liang, R. Mook, H. A. TI Detection of the Unusual Magnetic Orders in the Pseudogap Region of a High-Temperature Superconducting YBa2Cu3O6.6 Crystal by Muon-Spin Relaxation SO PHYSICAL REVIEW LETTERS LA English DT Article ID SINGLE-CRYSTALS; OXIDE AB We present muon-spin relaxation (mu SR) measurements on a large YBa2Cu3O6.6 single crystal in which two kinds of unusual magnetic order have been detected in the pseudogap region by neutron scattering. A comparison is made to measurements on smaller, higher quality YBa2Cu3Oy single crystals. One type of magnetic order is observed in all samples, but does not evolve significantly with hole doping. A second type of unusual magnetic order is observed only in the YBa2Cu3O6.6 single crystal. This magnetism has an ordered magnetic moment that is quantitatively consistent with the neutron experiments, but is confined to just a small volume of the sample (similar to 3%). Our findings do not support theories that ascribe the pseudogap to a state characterized by loop-current order, but instead indicate that dilute impurity phases are the source of the unusual magnetic orders in YBa2Cu3Oy. C1 [Sonier, J. E.; Pacradouni, V.; Sabok-Sayr, S. A.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Hardy, W. N.; Bonn, D. A.; Liang, R.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. [Mook, H. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Sonier, JE (reprint author), Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. FU Natural Sciences and Engineering Research Council of Canada; Canadian Institute for Advanced Research FX We thank G. A. Sawatzky for helpful discussions, and TRIUMF's Centre for Molecular and Materials Science for technical assistance. This work was supported by the Natural Sciences and Engineering Research Council of Canada and the Canadian Institute for Advanced Research. NR 31 TC 38 Z9 38 U1 0 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 16 PY 2009 VL 103 IS 16 AR 167002 DI 10.1103/PhysRevLett.103.167002 PG 4 WC Physics, Multidisciplinary SC Physics GA 508AP UT WOS:000270899500045 PM 19905717 ER PT J AU Thorn, DB Gu, MF Brown, GV Beiersdorfer, P Porter, FS Kilbourne, CA Kelley, RL AF Thorn, Daniel B. Gu, Ming F. Brown, Gregory V. Beiersdorfer, Peter Porter, F. Scott Kilbourne, Caroline A. Kelley, Richard L. TI Precision Measurement of the K-Shell Spectrum from Highly Charged Xenon with an Array of X-Ray Calorimeters SO PHYSICAL REVIEW LETTERS LA English DT Article ID HELIUM-LIKE IONS; CONFIGURATION-INTERACTION CALCULATIONS; LAMB SHIFT; GROUND-STATE; FE-XXV; HYDROGENLIKE; URANIUM; MICROCALORIMETER; TRANSITIONS; ENERGIES AB We present a measurement of the K-shell spectrum from highly charged xenon ions recorded with a high-energy x-ray calorimeter spectrometer array that can distinguish between various theories for the atomic structure of the two electron system. The array was designed to provide high resolution with high quantum efficiency in the 10-60 keV x-ray range which allows us to resolve blends that afflicted previous measurements. A precision of better than 2 eV was achieved in the measurement of the Xe(52+) and Xe(53+) K-shell transitions located near 31 keV, which is an order of magnitude better than previously reported. C1 [Thorn, Daniel B.; Gu, Ming F.; Brown, Gregory V.; Beiersdorfer, Peter] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Porter, F. Scott; Kilbourne, Caroline A.; Kelley, Richard L.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Thorn, DB (reprint author), Extreme Matter Inst, Darmstadt, Germany. EM dbthorn@gsi.de RI Porter, Frederick/D-3501-2012; Kelley, Richard/K-4474-2012 OI Porter, Frederick/0000-0002-6374-1119; FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; NASA Astronomy and Physics Research and Analysis Program (APRA); NASA/GSFC FX We gratefully acknowledge fruitful discussions with Mau Chen, as well as expert technical support on EBIT by Ed Magee, and thank John Gygax and Jonathan King for help in building and designing the ECS spectrometer. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344 and supported by NASA Astronomy and Physics Research and Analysis Program (APRA) grants to LLNL and NASA/GSFC. NR 30 TC 17 Z9 17 U1 0 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 16 PY 2009 VL 103 IS 16 AR 163001 DI 10.1103/PhysRevLett.103.163001 PG 4 WC Physics, Multidisciplinary SC Physics GA 508AP UT WOS:000270899500019 PM 19905691 ER PT J AU Ye, F Chi, SX Fernandez-Baca, JA Moreo, A Dagotto, E Lynn, JW Mathieu, R Kaneko, Y Tokura, Y Dai, PC AF Ye, F. Chi, Songxue Fernandez-Baca, J. A. Moreo, A. Dagotto, E. Lynn, J. W. Mathieu, R. Kaneko, Y. Tokura, Y. Dai, Pengcheng TI Electronic Self-Organization in the Single-Layer Manganite Pr1-xCa1+xMnO4 SO PHYSICAL REVIEW LETTERS LA English DT Article ID NEUTRON-DIFFRACTION; PHASE-SEPARATION; CHARGE; PR1-XCAXMNO3; PHYSICS AB We use neutron scattering to investigate the doping evolution of the magnetic correlations in the single-layer manganite Pr1-xCa1-xMnO4, away from the x = 0.5 composition where the CE-type commensurate antiferromagnetic (AF) structure is stable. We find that short-range incommensurate spin correlations develop as the system is electron doped (x < 0.5), which coexist with the CE-type AF order. This suggests that electron doping in this system induces an inhomogeneous electronic self-organization, where commensurate AF patches with x = 0.5 are separated by electron-rich domain walls with short-range magnetic correlations. This behavior is strikingly different than for the perovskite Pr1-xCaxMnO3, where the long-range CE-type commensurate AF structure is stable over a wide range of electron or hole doping around x = 0.5. C1 [Ye, F.; Fernandez-Baca, J. A.; Dai, Pengcheng] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Chi, Songxue; Fernandez-Baca, J. A.; Moreo, A.; Dagotto, E.; Dai, Pengcheng] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Moreo, A.; Dagotto, E.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Lynn, J. W.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Mathieu, R.; Kaneko, Y.; Tokura, Y.] JST, ERATO Spin Superstruct Project, Tokyo 1138656, Japan. [Tokura, Y.] RIKEN, Adv Sci Inst, Cross Correlated Mat Res Grp CMRG, Wako, Saitama 3510198, Japan. [Tokura, Y.] Univ Tokyo, Dept Appl Phys, Tokyo 1138656, Japan. [Mathieu, R.; Kaneko, Y.; Tokura, Y.] JST, Multiferro Project, Tokyo 1138656, Japan. RP Ye, F (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. EM yef1@ornl.gov RI Ye, Feng/B-3210-2010; Dai, Pengcheng /C-9171-2012; Tokura, Yoshinori/C-7352-2009; Kaneko, Yoshio/B-3274-2013; Fernandez-Baca, Jaime/C-3984-2014; Chi, Songxue/A-6713-2013; Kaneko, Yoshio/D-3905-2017; OI Ye, Feng/0000-0001-7477-4648; Dai, Pengcheng /0000-0002-6088-3170; Fernandez-Baca, Jaime/0000-0001-9080-5096; Chi, Songxue/0000-0002-3851-9153; Kaneko, Yoshio/0000-0001-5209-1379; Mathieu, Roland/0000-0002-5261-2047 FU Division of Scientific User Facilities of the Office of Basic Energy Sciences; U. S. Department of Energy; U. S. NSF [DMR-0756568, DE-FG02-05ER46202]; NSF [DMR-0706020]; Division of Materials Sciences and Engineering, U. S. DOE FX We are grateful to D. Khomskii, Y. Ren, and M. Braden for their helpful discussions. The experimental work was partially supported by the Division of Scientific User Facilities of the Office of Basic Energy Sciences, U. S. Department of Energy and by the U. S. NSF DMR-0756568 and DOE No. DE-FG02-05ER46202 grants. The theory effort was supported by the NSF grant No. DMR-0706020, and by the Division of Materials Sciences and Engineering, U. S. DOE under contract with UT-Battelle, LLC. NR 26 TC 7 Z9 7 U1 0 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 16 PY 2009 VL 103 IS 16 AR 167202 DI 10.1103/PhysRevLett.103.167202 PG 4 WC Physics, Multidisciplinary SC Physics GA 508AP UT WOS:000270899500048 PM 19905720 ER PT J AU Reichhardt, CJO Lopatina, LM AF Reichhardt, C. J. Olson Lopatina, L. M. TI A Ball-and-Chain Polymer Model SO SCIENCE LA English DT Editorial Material C1 [Reichhardt, C. J. Olson; Lopatina, L. M.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Lopatina, L. M.] Kent State Univ, Inst Liquid Crystal, Kent, OH 44242 USA. RP Reichhardt, CJO (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM cjrx@lanl.gov NR 7 TC 6 Z9 6 U1 2 U2 20 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD OCT 16 PY 2009 VL 326 IS 5951 BP 374 EP 375 DI 10.1126/science.1180973 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 506ZM UT WOS:000270818600032 PM 19833947 ER PT J AU Zhu, ZH Nachimuthu, P Lea, AS AF Zhu, Zihua Nachimuthu, Ponnusamy Lea, Alan S. TI Molecular Depth Profiling of Sucrose Films: A Comparative Study of C-60(n+) Ions and Traditional Cs+ and O-2(+) Ions SO ANALYTICAL CHEMISTRY LA English DT Article ID TOF-SIMS; MASS-SPECTROMETRY; GA BOMBARDMENT; MICROSCOPIC INSIGHTS; SPUTTERING YIELDS; SINGLE CELLS; BEAM; AG(111); TISSUE; BUCKMINSTERFULLERENE AB Depth profiling of sucrose thin films was investigated with time-of-flight secondary ion mass spectrometry (TOF-SIMS) using 10 keV C-60(+), 20 keV C-60(2+), and 30 keV C-60(3+), and 250, 500, and 1000 eV Cs+ and O-2(+) as sputtering ions. With C-60(n+) ions, the molecular ion signal initially decreases and reaches a steady state that is about 38-51% of its original intensity, depending on the energy of the C-60(n+) ions. In contrast, with Cs+ and O-2(+) sputtering, molecular ion signals decrease quickly to the noise level, even using very low-energy (250 eV) ions. In addition, the measured width of the sucrose/Si interface is much narrower Using C-60(+) ions than that using Cs+ or O-2(+) ions. To understand the mechanisms of sputtering-induced damage by these ions, X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM) were used to characterize the bottoms of these sputter craters. XPS data show very little chemical change in the C-60(+) sputter crater, while considerable amorphous carbon was found in the O-2(+) and Cs+ sputter craters, indicating extensive decomposition of the sucrose molecules. AFM images show a very flat bottom in the C-60(+) sputter crater, while the bottoms of the Cs+ and O-2(+) sputter craters are significantly rougher. We used the sputtering model developed by Wucher and co-workers to quantitatively analyze our C-60(1-3+) data. The results show that low energy C-60(+) ions generate a relatively thin damage layer with a high molecular ion signal, suggesting that low energy C-60(+) may be the optimal choice for molecular depth profiling of sucrose films. C1 [Zhu, Zihua; Nachimuthu, Ponnusamy; Lea, Alan S.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Zhu, ZH (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999, Richland, WA 99352 USA. EM zihua.zhu@pnl.gov RI Zhu, Zihua/K-7652-2012; OI Lea, Alan/0000-0002-4232-1553 FU Department of Energy's Office of Biological and Environmental Research FX The research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research which is located at Pacific Northwest National Laboratory. The authors would also like to acknowledge optical profilometer data frorn Mr. Warren Fogg and the writing suggestions frorn Dr. Anil Shukla in Pacific Northwest National Laboratory. NR 35 TC 13 Z9 13 U1 1 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD OCT 15 PY 2009 VL 81 IS 20 BP 8272 EP 8279 DI 10.1021/ac900553z PG 8 WC Chemistry, Analytical SC Chemistry GA 505DZ UT WOS:000270670600002 PM 19769372 ER PT J AU Kertesz, V Connelly, HM Erickson, BK Hettich, RL AF Kertesz, Vilmos Connelly, Heather M. Erickson, Brian K. Hettich, Robert L. TI PTMSearchPlus: Software Tool for Automated Protein Identification and Post-Translational Modification Characterization by Integrating Accurate Intact Protein Mass and Bottom-Up Mass Spectrometric Data Searches SO ANALYTICAL CHEMISTRY LA English DT Article ID MULTIPLY-CHARGED IONS; TOP-DOWN; RHODOPSEUDOMONAS-PALUSTRIS; PROTEOMIC ANALYSIS; SPECTRAL DATA; TANDEM; DISSOCIATION AB PTMSearchPlus is a software tool for the automated integration of accurate intact protein mass (AIPM) and bottom-up (BU) mass spectra searches/data in order to both confidently identify the intact proteins and to characterize their post-translational modifications (PTMs). The development of PTMSearchPlus was motivated by the desire to effectively integrate high-resolution intact protein molecular masses with bottom-up peptide MS/MS data. PTMSearchPlus requires as input both intact protein and proteolytic peptide mass spectra collected from the same protein mixture, a FASTA protein database, and a selection of possible PTMs, the types and ranges of which can be specified. The output of PTMSearchPlus is a list of intact and modified proteins matching the AIPM data concomitant with their respective peptides found by the BU search. This list also contains protein and peptide sequence coverage information, scores, etc. that can be used for further evaluation or refiltering of the results. Corresponding and annotated AIPM and BU mass spectra are also displayed for visual inspection when a listed protein or a peptide is selected. These and other controls ensure that the user can manually evaluate, modify (e.g., remove obvious false positives, low quality spectra etc.), and save the results of the automated search if necessary. Driven by die exponential growth in the number of possible peptide candidates in a BU search when multiple PTMs are probed, the advantages on search speed by limiting the total number of possible PTMs on a peptide in the BU search or by performing an "AIPM predicted" BU search are also discussed in addition to the integration approach. The features of PTMSearchPlus are demonstrated using both a protein standard mixture and a complex protein mixture from Escherichia coli. Experimental data revealed a unique advantage of coupling AIPM and the BU data sets that is mutually beneficial for both approaches. Namely, AIPM data can confirm that no PTM peptides were missed in a BU search, while the BU search determines the location of the PTM. This information is not available using an AIPM search alone. C1 [Kertesz, Vilmos; Connelly, Heather M.; Erickson, Brian K.; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN 37831 USA. [Connelly, Heather M.; Erickson, Brian K.] Univ Tennessee, Oak Ridge Natl Lab, Grad Sch Genome Sci & Technol, Oak Ridge, TN 37830 USA. RP Kertesz, V (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, POB 2008, Oak Ridge, TN 37831 USA. EM kerteszv@ornl.gov; hettichrl@ornl.gov RI Kertesz, Vilmos/M-8357-2016; Hettich, Robert/N-1458-2016 OI Kertesz, Vilmos/0000-0003-0186-5797; Hettich, Robert/0000-0001-7708-786X FU National Institutes of Health, General Medicine Program [NIH-R01-GM070754]; University of Tennessee-Battelle with the U.S. Department of Energy [DF AC05-000R22725] FX Co-first authors VX and H.M.C. contributed equally to this work. The authors thank David L. Tabb (Vanderbilt University, Nashville, TN) and Alan Rockwood (ARUP Laboratories, Salt Lake City, UT) for their help in integrating the MyriMatch scoring algorithm and the isotopic envelope calculator, respectively, into PTMSearchPlus. The authors thank Morgan Giddings (University of North Carolina, Chapel Hill, NC) for supplying the Escherichia coli ribosomal sample as part of another project. Research support was provided by the National Institutes of Health, General Medicine Program (Grant NIH-R01-GM070754). H.M.C. and BXE. wish to acknowledge the ORNL-UTK Genome Science and Technology Graduate School. Oak Ridge National Laboratory is managed and operated by the University of Tennessee-Battelle, LLC under Contract DF AC05-000R22725 with the U.S. Department of Energy. NR 28 TC 6 Z9 6 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD OCT 15 PY 2009 VL 81 IS 20 BP 8387 EP 8395 DI 10.1021/ac901163c PG 9 WC Chemistry, Analytical SC Chemistry GA 505DZ UT WOS:000270670600015 PM 19775152 ER PT J AU Holman, HYN Miles, R Hao, Z Wozei, E Anderson, LM Yang, H AF Holman, Hoi-Ying N. Miles, Robin Hao, Zhao Wozei, Eleanor Anderson, L. Meadow Yang, Haw TI Real-Time Chemical Imaging of Bacterial Activity in Biofilms Using Open-Channel Microfluidics and Synchrotron FTIR Spectromicroscopy SO ANALYTICAL CHEMISTRY LA English DT Article ID TRANSFORM INFRARED-SPECTROSCOPY; RAMAN MICROSCOPY; MITOMYCIN-C; SCATTER CORRECTION; IR SPECTROSCOPY; HUMAN-CELLS; DNA; ADDUCT; RESISTANCE; RADIATION AB Real-time chemical imaging of bacterial activities can facilitate a comprehensive understanding of the dynamics of biofilm structures and functions. Synchrotron-radiation-based Fourier transform infrared (SR-MR) spectromicroscopy can yield high spatial resolution and label-free vibrational signatures of chemical bonds in biomolecules, but the abundance of water in biofilms has hindered SR-FTIR's sensitivity in investigating bacterial activity. We developed a simple open-channel microfluidic system that can circumvent the water-absorption barrier for chemical imaging of the developmental dynamics of bacterial biofilms with a spatial resolution of several micrometers. This system maintains a 10 mu m thick laminar-flow-through biofilm system that minimizes both the imaging volume in liquid and the signal interference from geometry-induced fringing, Here we demonstrate the ability of the open-channel microfluidic platform to maintain the functionality of living cells while enabling high-quality SR-FTIR measurements. We include several applications that show how microbes in biofilms adapt to their immediate environments. The ability to directly monitor and map bacterial changes in biofilms can yield significant insight into a wide range of microbial systems, especially when coupled to more sophisticated microfluidic platforms. C1 [Holman, Hoi-Ying N.; Hao, Zhao; Wozei, Eleanor] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Miles, Robin] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Anderson, L. Meadow; Yang, Haw] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Holman, HYN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hyholman@lbl.gov RI Holman, Hoi-Ying/N-8451-2014; Hao, Zhao/G-2391-2015 OI Holman, Hoi-Ying/0000-0002-7534-2625; Hao, Zhao/0000-0003-0677-8529 FU U.S. Department of Energy Office of Biological and Environmental Research's Structural Biology Program [DE-AC02-05CH11231, KP1501021] FX This work was supported by the U.S. Department of Energy Office of Biological and Environmental Research's Structural Biology Program through Contracts DE-AC02-05CH11231 and KP1501021 with Lawrence Berkeley National Laboratory. Thanks to Dr. Tina Van Dyk of E. I. du Pont de Nemours and Co. for providing Escherichia coli DPD2794. NR 54 TC 52 Z9 53 U1 2 U2 52 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD OCT 15 PY 2009 VL 81 IS 20 BP 8564 EP 8570 DI 10.1021/ac9015424 PG 7 WC Chemistry, Analytical SC Chemistry GA 505DZ UT WOS:000270670600039 PM 19775125 ER PT J AU La Duc, MT Osman, S Vaishampayan, P Piceno, Y Andersen, G Spry, JA Venkateswaran, K AF La Duc, Myron T. Osman, Shariff Vaishampayan, Parag Piceno, Yvette Andersen, Gary Spry, J. A. Venkateswaran, Kasthuri TI Comprehensive Census of Bacteria in Clean Rooms by Using DNA Microarray and Cloning Methods SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID MICROBIAL DIVERSITY; SEQUENCE DATA; ENVIRONMENT; SPACECRAFT; ARB AB A census of clean room surface-associated bacterial populations was derived from the results of both the cloning and sequencing of 16S rRNA genes and DNA microarray (PhyloChip) analyses. Samples from the Lockheed Martin Aeronautics Multiple Testing Facility (LMA-MTF), the Kennedy Space Center Payload Hazard and Servicing Facility (KSC-PHSF), and the Jet Propulsion Laboratory Spacecraft Assembly Facility (JPL-SAF) clean rooms were collected during the various assembly phases of the Phoenix and Mars Science Laboratory (MSL) spacecraft. Clone library-derived analyses detected a larger bacterial diversity prior to the arrival of spacecraft hardware in these clean room facilities. PhyloChip results were in agreement with this trend but also unveiled the presence of anywhere from 9- to 70-fold more bacterial taxa than cloning approaches. Among the facilities sampled, the JPL-SAF (MSL mission) housed a significantly less diverse bacterial population than either the LMA-MTF or KSC-PHSF (Phoenix mission). Bacterial taxa known to thrive in arid conditions were frequently detected in MSL-associated JPL-SAF samples, whereas proteobacterial lineages dominated Phoenix-associated KSC-PHSF samples. Comprehensive bacterial censuses, such as that reported here, will help space-faring nations preemptively identify contaminant biomatter that may compromise extraterrestrial life detection experiments. The robust nature and high sensitivity of DNA microarray technologies should prove beneficial to a wide range of scientific, electronic, homeland security, medical, and pharmaceutical applications and to any other ventures with a vested interest in monitoring and controlling contamination in exceptionally clean environments. C1 [La Duc, Myron T.; Vaishampayan, Parag; Spry, J. A.; Venkateswaran, Kasthuri] CALTECH, Jet Prop Lab, NASA, Biotechnol & Planetary Protect Grp, Pasadena, CA 91109 USA. [Osman, Shariff; Piceno, Yvette; Andersen, Gary] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Venkateswaran, K (reprint author), CALTECH, Jet Prop Lab, NASA, Biotechnol & Planetary Protect Grp, Mail Stop 89,Oak Grove Dr, Pasadena, CA 91109 USA. EM kjvenkat@jpl.nasa.gov RI Piceno, Yvette/I-6738-2016; Andersen, Gary/G-2792-2015 OI Piceno, Yvette/0000-0002-7915-4699; Andersen, Gary/0000-0002-1618-9827 FU [DE-AC02-05CH11231] FX We thank K. Buxbaum and C. Conley for valuable advice and encouragement. We also thank Todd DeSantis for his input and support using the Greengenes suite of tools (www.greengenes.lbl.gov). NR 36 TC 49 Z9 49 U1 0 U2 11 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD OCT 15 PY 2009 VL 75 IS 20 BP 6559 EP 6567 DI 10.1128/AEM.01073-09 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 503QD UT WOS:000270552500018 PM 19700540 ER PT J AU Wilkins, MJ VerBerkmoes, NC Williams, KH Callister, SJ Mouser, PJ Elifantz, H N'Guessan, AL Thomas, BC Nicora, CD Shah, MB Abraham, P Lipton, MS Lovley, DR Hettich, RL Long, PE Banfield, JF AF Wilkins, Michael J. VerBerkmoes, Nathan C. Williams, Kenneth H. Callister, Stephen J. Mouser, Paula J. Elifantz, Hila N'Guessan, A. Lucie Thomas, Brian C. Nicora, Carrie D. Shah, Manesh B. Abraham, Paul Lipton, Mary S. Lovley, Derek R. Hettich, Robert L. Long, Philip E. Banfield, Jillian F. TI Proteogenomic Monitoring of Geobacter Physiology during Stimulated Uranium Bioremediation SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID BACTERIAL COMMUNITY STRUCTURE; PROTEIN IDENTIFICATIONS; MASS-SPECTROMETRY; CITRATE SYNTHASE; RIBOSOMAL-RNA; ACCURATE MASS; EXPRESSION; PROTEOMICS; SULFURREDUCENS; REDUCTION AB Implementation of uranium bioremediation requires methods for monitoring the membership and activities of the subsurface microbial communities that are responsible for reduction of soluble U(VI) to insoluble U(IV). Here, we report a proteomics-based approach for simultaneously documenting the strain membership and microbial physiology of the dominant Geobacter community members during in situ acetate amendment of the U-contaminated Rifle, CO, aquifer. Three planktonic Geobacter-dominated samples were obtained from two wells down-gradient of acetate addition. Over 2,500 proteins from each of these samples were identified by matching liquid chromatography-tandem mass spectrometry spectra to peptides predicted from seven isolate Geobacter genomes. Genome-specific peptides indicate early proliferation of multiple M21 and Geobacter bemidjiensis-like strains and later possible emergence of M21 and G. bemidjiensis-like strains more closely related to Geobacter lovleyi. Throughout biostimulation, the proteome is dominated by enzymes that convert acetate to acetyl-coenzyme A and pyruvate for central metabolism, while abundant peptides matching tricarboxylic acid cycle proteins and ATP synthase subunits were also detected, indicating the importance of energy generation during the period of rapid growth following the start of biostimulation. Evolving Geobacter strain composition may be linked to changes in protein abundance over the course of biostimulation and may reflect changes in metabolic functioning. Thus, metagenomics-independent community proteogenomics can be used to diagnose the status of the subsurface consortia upon which remediation biotechnology relies. C1 [Wilkins, Michael J.; Thomas, Brian C.; Banfield, Jillian F.] Univ Calif Berkeley, Dept Earth & Planetary Sci & Environm Sci Policy, Berkeley, CA 94720 USA. [VerBerkmoes, Nathan C.; Shah, Manesh B.; Abraham, Paul; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [VerBerkmoes, Nathan C.; Shah, Manesh B.; Abraham, Paul; Hettich, Robert L.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Williams, Kenneth H.; Banfield, Jillian F.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Callister, Stephen J.; Nicora, Carrie D.; Lipton, Mary S.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99353 USA. [Mouser, Paula J.; Elifantz, Hila; N'Guessan, A. Lucie; Lovley, Derek R.] Univ Massachusetts, Dept Microbiol, Amherst, MA 01002 USA. [Abraham, Paul] Univ Tennessee, Grad Sch Genome Sci & Technol, Knoxville, TN 37830 USA. [Long, Philip E.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99353 USA. RP Banfield, JF (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci & Environm Sci Policy, Hilgard Hall, Berkeley, CA 94720 USA. EM jbanfield@berkeley.edu RI Wilkins, Michael/A-9358-2013; Long, Philip/F-5728-2013; Williams, Kenneth/O-5181-2014; Abraham, Paul/K-5599-2015; Hettich, Robert/N-1458-2016 OI Long, Philip/0000-0003-4152-5682; Williams, Kenneth/0000-0002-3568-1155; Hettich, Robert/0000-0001-7708-786X FU DOE [DOE-AC05-00OR22725, DE-AC05-76RL01830]; Environmental and Remediation Sciences Program, Biological and Environmental Research, Office of Science, U.S. DOE FX This research was sponsored by the Environmental and Remediation Sciences Program, Biological and Environmental Research, Office of Science, U.S. DOE. NR 36 TC 81 Z9 84 U1 3 U2 36 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD OCT 15 PY 2009 VL 75 IS 20 BP 6591 EP 6599 DI 10.1128/AEM.01064-09 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 503QD UT WOS:000270552500021 PM 19717633 ER PT J AU Kristiansson, E Hugenholtz, P Dalevi, D AF Kristiansson, Erik Hugenholtz, Philip Dalevi, Daniel TI ShotgunFunctionalizeR: an R-package for functional comparison of metagenomes SO BIOINFORMATICS LA English DT Article ID DATABASE AB Microorganisms are ubiquitous in nature and constitute intrinsic parts of almost every ecosystem. A culture-independent and powerful way to study microbial communities is metagenomics. In such studies, functional analysis is performed on fragmented genetic material from multiple species in the community. The recent advances in high-throughput sequencing have greatly increased the amount of data in metagenomic projects. At present, there is an urgent need for efficient statistical tools to analyse these data. We have created ShotgunFunctionalizeR, an R-package for functional comparison of metagenomes. The package contains tools for importing, annotating and visualizing metagenomic data produced by shotgun high-throughput sequencing. ShotgunFunctionalizeR contains several statistical procedures for assessing functional differences between samples, both for individual genes and for entire pathways. In addition to standard and previously published methods, we have developed and implemented a novel approach based on a Poisson model. This procedure is highly flexible and thus applicable to a wide range of different experimental designs. We demonstrate the potential of ShotgunFunctionalizeR by performing a regression analysis on metagenomes sampled at multiple depths in the Pacific Ocean. C1 [Kristiansson, Erik] Univ Gothenburg, Dept Zool, Gothenburg, Sweden. [Kristiansson, Erik] Univ Gothenburg, Sahlgrenska Acad, Dept Neurosci & Physiol, Gothenburg, Sweden. [Hugenholtz, Philip] DOE Joint Genome Inst, Microbial Ecol Program, Walnut Creek, CA USA. [Dalevi, Daniel] Chalmers, Dept Comp Sci & Engn, S-41296 Gothenburg, Sweden. RP Kristiansson, E (reprint author), Univ Gothenburg, Dept Zool, Gothenburg, Sweden. EM erik.kristiansson@zool.gu.se; dalevi@chalmers.se RI Hugenholtz, Philip/G-9608-2011 FU Swedish Research Council Formas; Svenska Sallskapet for Medicinsk Forskning (SSMF) FX This work was funded by the Swedish Research Council Formas and Svenska Sallskapet for Medicinsk Forskning (SSMF). NR 15 TC 72 Z9 74 U1 2 U2 18 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 EI 1460-2059 J9 BIOINFORMATICS JI Bioinformatics PD OCT 15 PY 2009 VL 25 IS 20 BP 2737 EP 2738 DI 10.1093/bioinformatics/btp508 PG 2 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 505ID UT WOS:000270685200018 PM 19696045 ER PT J AU Maiorella, BL Blanch, HW Wilke, CR AF Maiorella, B. L. Blanch, H. W. Wilke, C. R. TI Economic Evaluation of Alternative Ethanol Fermentation Processes SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article ID SACCHAROMYCES-CEREVISIAE; ALCOHOL FERMENTATION; PRODUCT; INHIBITION; DESIGN; OPTIMIZATION; KINETICS; RECYCLE AB Eleven alternative fermentation schemes for ethanol production are compared. Conventional batch, continuous, cell recycle, and immobilized cell processes, as well as membrane, extraction, and vacuum processes which remove ethanol from the broth selectively as it is produced, are considered. The processes are compared on identical bases using a consistent model for the yeast metabolism. Both molasses and cellulose hydrolyzate are considered as feeds. Optimized ethanol plants, including feed preparation, fermentation, and product recovery sections are designed and total costs are projected. C1 [Maiorella, B. L.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Maiorella, BL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 48 TC 2 Z9 3 U1 2 U2 5 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD OCT 15 PY 2009 VL 104 IS 3 BP 421 EP 443 PG 23 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 522TQ UT WOS:000272022200002 ER PT J AU Wang, DJ Jang, DJ AF Wang, Daojing Jang, Deok-Jin TI Protein Kinase CK2 Regulates Cytoskeletal Reorganization during Ionizing Radiation-Induced Senescence of Human Mesenchymal Stem Cells SO CANCER RESEARCH LA English DT Article ID MYOSIN HEAVY-CHAIN; CELLULAR SENESCENCE; TUMOR-SUPPRESSOR; CATALYTIC-SUBUNIT; ONCOGENIC RAS; PHOSPHORYLATION; CANCER; EXPRESSION; MOTILITY; GENE AB Human mesenchymal stem cells (hMSC) are critical for tissue regeneration. How hMSC respond to genotoxic stresses and potentially contribute to aging and cancer remain underexplored. We showed that ionizing radiation induced cellular senescence of hMSC over a period of 10 days, showing a critical transition between days 3 and 6. This was confirmed by senescence-associated beta-galactosidase staining, protein expression profiles of key cell cycle regulators (retinoblastoma protein, p53, p21(waf1/Cip1), and p16(INK4A)), and senescence-associated secretory phenotypes (interleukin-8, interleukin-12, GRO, and MDC). We observed dramatic cytoskeletal reorganization of hMSC through reduction of myosin-10, redistribution of myosin-9, and secretion of profilin-1. Using a SILAC-based phosphoproteomics method, we detected significant reduction of myosin-9 phosphorylation at Ser(1943), coinciding with its redistribution. Importantly, through treatment with cell-permeable inhibitors (4,5,6,7-tetrabromo-1H-benzotriazole and 2-dimethylamino-4,5,6,7-tetrabromo-1H-benzimidazole) and gene knockdown using RNA interference, we identified CK2, a kinase responsible for myosin-9 phosphorylation at Ser(1943), as a key factor contributing to the radiation-induced senescence of hMSC. We showed that individual knockdown of CK2 catalytic subunits CK2 alpha and CK2 alpha' induced hMSC senescence. However, only knockdown of CK2 alpha resulted in morphologic phenotypes resembling those of radiation-induced senescence. These results suggest that CK2 alpha and CK2 alpha' play differential roles in hMSC senescence progression, and their relative expression might represent a novel regulatory mechanism for CK2 activity. [Cancer Res 2009;69(20):8200-7] C1 [Wang, Daojing; Jang, Deok-Jin] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Wang, DJ (reprint author), Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd,MS 977-250, Berkeley, CA 94720 USA. EM djwang@lbl.gov FU U.S. Department of Energy and the National Aeronautics and Space Administration; NIH [R21GM077870]; University of California/Lawrence Berkeley National Laboratory [AC02-05CH11231] FX Grant support: Low Dose Radiation Research Program jointly funded by the U.S. Department of Energy and the National Aeronautics and Space Administration and by NIH grant R21GM077870. This work was done under the auspices of the U.S. Department of Energy at the University of California/Lawrence Berkeley National Laboratory under contract. no. DE-AC02-05CH11231. NR 50 TC 35 Z9 40 U1 1 U2 5 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 J9 CANCER RES JI Cancer Res. PD OCT 15 PY 2009 VL 69 IS 20 BP 8200 EP 8207 DI 10.1158/0008-5472.CAN-09-1976 PG 8 WC Oncology SC Oncology GA 508MM UT WOS:000270935500039 PM 19826041 ER PT J AU Bazarov, AV Hines, WC Mukhopadhyay, R Beliveau, A Melodyev, S Zaslavsky, Y Yaswen, P AF Bazarov, Alexey V. Hines, William C. Mukhopadhyay, Rituparna Beliveau, Alain Melodyev, Sonya Zaslavsky, Yuri Yaswen, Paul TI Telomerase activation by c-Myc in human mammary epithelial cells requires additional genomic changes SO CELL CYCLE LA English DT Article DE breast cancer; comparative genomic hybridization; hTERT; immortalization; senescence ID HTERT GENE; BREAST-CANCER; IN-SITU; REVERSE-TRANSCRIPTASE; EXPRESSION; IMMORTALIZATION; SENESCENCE; TERT; TRANSFORMATION; TARGET AB A central question in breast cancer biology is how cancer cells acquire telomerase activity required for unlimited proliferation. According to one model, proliferation of telomerase(-) pre-malignant cells leads to telomere dysfunction and increased genomic instability. Such instability leads in rare cases to reactivation of telomerase and immortalization. The mechanism of telomerase reactivation remains unknown. We have studied immortalization of cultured human mammary epithelial cells by c-Myc, a positive transcriptional regulator of the hTERT gene encoding the catalytic subunit of telomerase. Retrovirally introduced c-Myc cDNA resulted in immortalization of human mammary epithelial cells in which the cyclin dependent kinase inhibitor, p16(INK4A), was inactivated by an shRNA-encoding retrovirus. However, while c-Myc introduction immediately resulted in increased activity of transiently transfected hTERT promoter reporter constructs, endogenous hTERT mRNA levels did not change until about 60 population doublings after c-Myc introduction. Increased endogenous hTERT transcripts and stabilization of telomeric DNA in cells expressing exogenous c-Myc coincided with telomere dysfunction-associated senescence in control cultures. Genome copy number analyses of immortalized cells indicated amplifications of some or all of chromosome 5, where hTERT genes are located. hTERT gene copy number, however, was not increased in one case. The results are consistent with the hypothesis that changes in chromosome 5, while not necessarily increasing hTERT gene copy number, resulted in removal of repressive chromatin structures around hTERT loci, allowing induction of hTERT transcription. These in vitro results model one possible sequence of events leading to immortalization of breast epithelial cells during cancer progression. C1 [Hines, William C.; Mukhopadhyay, Rituparna; Beliveau, Alain; Melodyev, Sonya; Yaswen, Paul] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Bazarov, Alexey V.; Zaslavsky, Yuri] Univ Calif San Francisco, Dept Lab Med, San Francisco, CA 94143 USA. RP Yaswen, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. EM P_Yaswen@lbl.gov FU Flight Attendant Medical Research Institute [032122]; Cure Research Grant [BCTR0707231]; US Department of Energy [DE-AC03-76SF00098]; Komen Foundation [PDF0707408] FX We thank Drs. Scott Lowe and Tae Kook Kim for providing reagents, Dr. Alfred Au and the UCSF Comprehensive Cancer Center Tissue Core for reduction mammaplasty samples, and Dr. Greg Hamilton and the UCSF Array Core for performing aCGH. This work was supported by a Flight Attendant Medical Research Institute Young Clinical Investigator Award No. 032122 (A.V.B.), a Komen for the Cure Research Grant No. BCTR0707231 (A.V.B.), and the Office of Energy Research, Office of Health and Biological Research, US Department of Energy (P.Y.) under Contract No. DE-AC03-76SF00098 (P.Y.). W.C.H. was supported by postdoctoral fellowship PDF0707408 from the Komen Foundation. NR 25 TC 16 Z9 20 U1 0 U2 2 PU LANDES BIOSCIENCE PI AUSTIN PA 1806 RIO GRANDE ST, AUSTIN, TX 78702 USA SN 1538-4101 J9 CELL CYCLE JI Cell Cycle PD OCT 15 PY 2009 VL 8 IS 20 BP 3373 EP 3378 PG 6 WC Cell Biology SC Cell Biology GA 514DK UT WOS:000271374300027 PM 19806010 ER PT J AU Bland, PA Jackson, MD Coker, RF Cohen, BA Webber, JBW Lee, MR Duffy, CM Chater, RJ Ardakani, MG McPhail, DS McComb, DW Benedix, GK AF Bland, Philip A. Jackson, Matthew D. Coker, Robert F. Cohen, Barbara A. Webber, J. Beau W. Lee, Martin R. Duffy, Christina M. Chater, Richard J. Ardakani, Mahmoud G. McPhail, David S. McComb, David W. Benedix, Gretchen K. TI Why aqueous alteration in asteroids was isochemical: High porosity not equal high permeability SO EARTH AND PLANETARY SCIENCE LETTERS LA English DT Article DE meteorite; carbonaceous chondrite; asteroidal alteration; permeability; isochemical alteration; fluid flow; closed/open system ID CHONDRITE PARENT BODIES; EARLY SOLAR-SYSTEM; OXYGEN ISOTOPIC COMPOSITION; X-RAY-DIFFRACTION; CARBONACEOUS CHONDRITES; MODAL MINERALOGY; CM2 CHONDRITES; CI CHONDRITES; METEORITES; CHONDRULES AB Carbonaceous chondrite meteorites are the most compositionally primitive rocks in the solar system, but the most chemically pristine (Cl1 and CM2 chondrites) have experienced pervasive aqueous alteration, apparently within asteroid parent bodies. Unfractionated soluble elements suggest very limited flow of liquid water, indicting a closed-system at scales large than 100's mu m, consistent with data from oxygen isotopes, and meteorite petrography. However, numerical studies persistently predict large-scale (10's km) water transport in model asteroids, either in convecting cells, or via 'exhalation' flow - an open-system at scales up to 10's km. These models have tended to use permeabilites in the range 10(-13) to 10(-11) m(2). we show that the permeability of plausible chondritic starting materials lies in the range 10(-19) to 10(-17) m(2) (0.1-10 mu D): around six orders-of-magnitude lower than previously assumed. This low permeability is largely a result of the extreme fine grain-size of primitive chondritic materials. Applying these permeability estimates in numerical models, we predict very limited liquid water flow (distances of 100's mu m at most), even in a high porosity, water-saturated asteroid, with a high thermal gradient, over millions of years. Isochemical alteration, with flow over minimal lengthscales, is not a special circumstance. It is inevitable, once we consider the fundamental material properties of these rocks. To achieve large-scale flow it would require average matrix grain sizes in primitive materials of 10's-100's mu m - orders of magnitude larger than observed. Finally, in addition to reconciling numerical modelling with meteorite data, our work explains several other features of these enigmatic rocks, most particularly, why the most chemically primitive meteorites are also the most altered. (C) 2009 Elsevier B.V. All rights reserved. C1 [Bland, Philip A.; Jackson, Matthew D.; Duffy, Christina M.] Univ London Imperial Coll Sci Technol & Med, IARC, Dept Earth Sci & Engn, London SW7 2AZ, England. [Bland, Philip A.; Benedix, Gretchen K.] Nat Hist Museum, Dept Mineral, IARC, London SW7 5BD, England. [Coker, Robert F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Cohen, Barbara A.] NASA, George C Marshall Space Flight Ctr, Huntsville, AL 35812 USA. [Webber, J. Beau W.] Univ Kent, Sch Phys Sci, Canterbury CT2 7NR, Kent, England. [Webber, J. Beau W.] Inst Petr Engn, Edinburgh EH14 4AS, Midlothian, Scotland. [Lee, Martin R.] Univ Glasgow, Dept Geog & Earth Sci, Glasgow G12 8QQ, Lanark, Scotland. [Chater, Richard J.; Ardakani, Mahmoud G.; McPhail, David S.; McComb, David W.] Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2AZ, England. RP Bland, PA (reprint author), Univ London Imperial Coll Sci Technol & Med, IARC, Dept Earth Sci & Engn, S Kensington Campus, London SW7 2AZ, England. EM p.a.bland@imperial.ac.uk RI Lee, Martin/D-9169-2011; Jackson, Matthew/N-5121-2014; Webber, J B W/C-4317-2008; McComb, David/A-7808-2010; OI Lee, Martin/0000-0002-6004-3622; Webber, J B W/0000-0002-8967-4671; Benedix, Gretchen/0000-0003-0990-8878 FU Royal Society; Science & Technology Facilities Council (STFC) [PPA/G/S/2003/00071] FX We acknowledge the financial support from the Royal Society, and the Science & Technology Facilities Council (STFC) under grant number PPA/G/S/2003/00071: PAB thanks Ed Young and Richard Ash for the numerous useful discussions on this topic. The final draft of the paper benefited from comments by two anonymous reviewers. NR 66 TC 45 Z9 45 U1 2 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0012-821X J9 EARTH PLANET SC LETT JI Earth Planet. Sci. Lett. PD OCT 15 PY 2009 VL 287 IS 3-4 BP 559 EP 568 DI 10.1016/j.epsl.2009.09.004 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 522PQ UT WOS:000272010800029 ER PT J AU Bai, J Liu, CX Ball, WP AF Bai, Jing Liu, Chongxuan Ball, William P. TI Study of Sorption-Retarded U(VI) Diffusion in Hanford Silt/Clay Material SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID URANIUM(VI) SORPTION; SUBSURFACE SEDIMENTS; ADSORPTION; TRANSPORT; SITE; MODEL; DESORPTION; COMPLEXES; GRANITE; IBARAKI AB A diffusion cell method was applied to measure the effective pore diffusion coefficient (D(p)) for U(VI) under strictly controlled chemical conditions in a silt/clay sediment from the U.S. Department of Energy Hanford site, WA. "Inward-flux" diffusion studies were conducted in which [U(VI)] in both aqueous and solid phases was measured as a function of distance in the diffusion cell under conditions of constant concentration at the cell boundaries. A sequential extraction method was developed to measure sorbed contaminant U(VI) in the solid phase containing extractable background U(VI). The effect of sorption kinetics on U(VI) interparticle diffusion was evaluated by comparing sorption-retarded diffusion models with sorption described either as equilibrium or intraparticle diffusion-limited processes. Both experimental and modeling results indicated that(1)a single pore diffusion coefficient can simulate the diffusion of total aqueous U(VI), and (2) the local equilibrium assumption (LEA) is appropriate for modeling sorption-retraded diffusion under the given experimental conditions, D(p) of 1.6-1.7 x 10(-6) cm(2)/s was estimated in aqueous solution at pH 8.0 and saturated with respect to calcite, as relevant to some subsurface regions of the Hanford site. C1 [Bai, Jing; Ball, William P.] Johns Hopkins Univ, Dept Geog & Environm Engn, Baltimore, MD 21218 USA. [Liu, Chongxuan] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Bai, J (reprint author), Johns Hopkins Univ, Dept Geog & Environm Engn, 3400 N Charles St, Baltimore, MD 21218 USA. EM jbai@jhu.edu RI Liu, Chongxuan/C-5580-2009; Ball, William/A-3285-2010 OI Ball, William/0000-0001-5217-8108 FU Environmental Remediation Science Program of the office of Science; U.S. Department of Energy [DE-FG07-02ER63498] FX The research described in this manuscript was supported in large part by the Environmental Remediation Science Program of the office of Science, U.S. Department of Energy under contract DE-FG07-02ER63498. NR 33 TC 14 Z9 14 U1 2 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD OCT 15 PY 2009 VL 43 IS 20 BP 7706 EP 7711 DI 10.1021/es901306c PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 504DR UT WOS:000270594900022 PM 19921882 ER PT J AU Yoon, H Oostrom, M Werth, CJ AF Yoon, Hongkyu Oostrom, Mart Werth, Charles J. TI Estimation of Interfacial Tension between Organic Liquid Mixtures and Water SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID MOLAR VOLUME; SYSTEMS; PREDICTION; BINARY; DNAPL; MODEL AB Knowledge of IFT values for chemical mixtures helps guide the design and analysis of various processes, including NAPL remediation with surfactants or alcohol flushing, enhanced oil recovery, and chemical separation technologies, yet available literature values are sparse. A comprehensive comparison of thermodynamic and empirical models for estimating interfacial tension (IFT) of organic chemical mixtures with water is conducted, mainly focusing on chlorinated organic compounds for 14 ternary, three quaternary, and one quinary systems. Emphasis is placed on novel results for systems with three and four organic chemical compounds, and for systems with composite organic compounds like lard oil and mineral oil, Seven models are evaluated: the ideal and nonideal monolayer models (MLID and MLNID), the ideal and nonideal mutual solubility models (MSID and MSNID.), an empirical model for ternary systems (EM), a linear mixing model based on mole fractions (LMMM), and a newly developed linear mixing model based on volume fractions of organic mixtures (LMMV) for higher order systems. The two ideal models (MLID and MSID) fit ternary systems of chlorinated organic compounds without surface active compounds relatively well. However, both ideal models did not perform well for the mixtures containing p surface active compound. However, for these systems, both the MLNID and MSNID models matched the IFT data well. It is shown that the MLNID model with a surface coverage value (0.00341 mmol/m(2)) obtained in this study can practically be. used for chlorinated organic compounds. The LMMM results in poorer estimates of the IFT as the difference in IFT values of individual organic compounds in a mixture increases. The EM, with two fitting parameters, provided accurate results for all 14 ternary systems including composite organic compounds. The new LMMV method for quaternary and higher component systems was successfully tested. This study shows that the LMMV may be able to be used. for higher component systems and it can be easily incorporated into compositional multiphase flow models using only parameters from ternary systems. C1 [Yoon, Hongkyu; Werth, Charles J.] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. [Oostrom, Mart] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. RP Werth, CJ (reprint author), Univ Illinois, Dept Civil & Environm Engn, 205 N Mathews Ave, Urbana, IL 61801 USA. EM werth@illinois.edu FU Office of Science (BER); U.S. Department of Energy (DOF)-Environmental Remodiation Sciences Program (ERSP) [DE-FG02-06ER64207]; U,S. DOE's Office of Biological and Environmental Research; U.S. DOE [DE-AC06-76RLO 1830] FX This work was supported by the Office of Science (BER), U.S. Department of Energy (DOF)-Environmental Remodiation Sciences Program (ERSP), Grant No. DE-FG02-06ER64207. We thank Scott Nellis for measuring IFTs of the CT-DBBP-TBP-LO system. Part of the work was conducted in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the U,S. DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL), PNNL is operated by Battelle Memorial Institute for the U.S. DOE under Contract DE-AC06-76RLO 1830. NR 25 TC 12 Z9 13 U1 6 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD OCT 15 PY 2009 VL 43 IS 20 BP 7754 EP 7761 DI 10.1021/es901061k PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 504DR UT WOS:000270594900030 PM 19921890 ER PT J AU Lumetta, GJ McNamara, BK Buck, EC Fiskum, SK Snow, LA AF Lumetta, Gregg J. McNamara, Bruce K. Buck, Edgar C. Fiskum, Sandra K. Snow, Lanee A. TI Characterization of High Phosphate Radioactive Tank Waste and Simulant Development SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID CHROMIUM AB A sample of high-level radioactive tank waste was characterized to provide a basis for developing a waste simulant. The simulant is required for pilot-scale testing of pretreatment processes in a nonradiological facility. The waste material examined was derived from the bismuth phosphate process, which was the first industrial process implemented to separate plutonium from Irradiated nuclear fuel, The bismuth phosphate process sludge is a complex mixture rich in bismuth, iron, sodium, phosphorus, silicon, and uranium, The form of phosphorus in this particular tank waste material is of specific importance because that is the primary component (other than water-soluble sodium salts) that must be removed from the high-level waste solids by pretreatment. This work shows unequivocally that the phosphorus in this waste material is not present as bismuth phosphate. Rather, the phosphorus appears to be incorporated mostly into an amorphous iron(III) phosphate phase. The bismuth in the sludge solids is best described as BiFeO(3). The behavior of phosphorus during caustic leaching of the bismuth phosphate process sledge solids is also discussed. C1 [Lumetta, Gregg J.; McNamara, Bruce K.; Buck, Edgar C.; Fiskum, Sandra K.; Snow, Lanee A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lumetta, GJ (reprint author), Pacific NW Natl Lab, POB 999,MSIN P7-25, Richland, WA 99352 USA. EM gregg.lumetta@pnl.gov RI Buck, Edgar/D-4288-2009; Buck, Edgar/N-7820-2013 OI Buck, Edgar/0000-0001-5101-9084 FU U.S. Department of Energy by Battelle [DE-C05-76RL01830]; Bechtel National, Inc. FX Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by Battelle under Contract DE-C05-76RL01830. This work was funded by the U.S. Department of Energy through the Office of Environmental Management and under the guidance of Bechtel National, Inc. NR 18 TC 7 Z9 7 U1 1 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD OCT 15 PY 2009 VL 43 IS 20 BP 7843 EP 7848 DI 10.1021/es9013746 PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 504DR UT WOS:000270594900043 PM 19921903 ER PT J AU Duncan, KE Gieg, LM Parisi, VA Tanner, RS Tringe, SG Bristow, J Suflita, JM AF Duncan, Kathleen E. Gieg, Lisa M. Parisi, Victoria A. Tanner, Ralph S. Tringe, Susannah Green Bristow, Jim Suflita, Joseph M. TI Biocorrosive Thermophilic Microbial Communities in Alaskan Worth Slope Oil Facilities SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SP NOV.; GEN. NOV.; PETROLEUM RESERVOIR; ANAEROBIC OXIDATION; PRODUCTION WATER; NORTH-SEA; BACTERIUM; ARCHAEA; SEQUENCES; SEDIMENTS AB Corrosion of metallic oilfield pipelines by microorganisms is a costly but poorly understood phenomenon, with standard treatment methods targeting mesophilic sulfate-reducing bacteria. In assessing biocorrosion potential at an Alaskan North Slope oil field, we identified thermophilic hydrogen-using methanogens, syntrophic bacteria, peptide- and amino acid-fermenting bacteria, iron reducers, sulfur/thiosulfate-reducing bacteria, and sulfate-reducing archaea. These microbes can stimulate metal corrosion through production of organic acids, CO(2), sulfur species, and via hydrogen oxidation and iron reduction, implicating many more types of organisms than are currently targeted. Micromolar quantities of putative anaerobic metabolites of C(1)-C(4) n-alkanes in pipeline fluids were detected, implying that these low molecular weight hydrocarbons, routinely reinjected into reservoirs for oil recovery purposes, are biodegraded and can provide biocorrosive microbial communities with an important source of nutrients. C1 [Duncan, Kathleen E.; Gieg, Lisa M.; Parisi, Victoria A.; Tanner, Ralph S.; Suflita, Joseph M.] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Duncan, Kathleen E.; Gieg, Lisa M.; Parisi, Victoria A.; Tanner, Ralph S.; Suflita, Joseph M.] Univ Oklahoma, Inst Energy & Environm, Norman, OK 73019 USA. [Tringe, Susannah Green; Bristow, Jim] DOE Joint Genome Inst, Walnut Creek, CA USA. RP Suflita, JM (reprint author), Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. EM jsuflita@ou.edu FU National Science Foundation [0647712]; ConocoPhillips FX Support from the National Science Foundation (Award No. 0647712) and ConocoPhillips is gratefully acknowledged. We particularly appreciate the assistance of Dr. Gary Jenneman and the Alaska Business Unit personnel or ConocoPhillips for organizing, collecting and shipping samples as well as for the use of ANS laboratory facilities. The conclusions expressed in this paper are those of the authors and not necessarily shared by ConocoPhillips. NR 46 TC 71 Z9 74 U1 1 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD OCT 15 PY 2009 VL 43 IS 20 BP 7977 EP 7984 DI 10.1021/es9013932 PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 504DR UT WOS:000270594900063 PM 19921923 ER PT J AU Fang, YL Yabusaki, SB Morrison, SJ Amonette, JP Long, PE AF Fang, Yilin Yabusaki, Steven B. Morrison, Stan J. Amonette, James P. Long, Philip E. TI Multicomponent reactive transport modeling of uranium bioremediation field experiments SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID DISSIMILATORY METAL REDUCTION; MICROBIAL REDUCTION; BIOGEOCHEMICAL PROCESSES; CONTAMINATED AQUIFER; MINERAL ASSEMBLAGES; U(VI) REDUCTION; FE(III) OXIDES; SEDIMENTS; IRON; ADSORPTION AB A reaction network integrating abiotic and microbially mediated reactions has been developed to simulate biostimulation field experiments at a former Uranium Mill Tailings Remedial Action (UMTRA) site in Rifle, Colorado. The reaction network was calibrated using data from the 2002 field experiment, after which it was applied without additional calibration to field experiments performed in 2003 and 2007. The robustness of the model specification is significant in that (1) the 2003 biostimulation field experiment was performed with 3 times higher acetate concentrations than the previous biostimulation in the same field plot (i.e., the 2002 experiment), and (2) the 2007 field experiment was performed in a new unperturbed plot on the same site. The biogeochemical reactive transport simulations accounted for four terminal electron-accepting processes (TEAPs), two distinct functional microbial populations, two pools of bioavailable Fe(III) minerals (iron oxides and phyllosilicate iron), uranium aqueous and surface complexation, mineral precipitation and dissolution. The conceptual model for bioavailable iron reflects recent laboratory studies with sediments from the UMTRA site that demonstrated that the bulk (similar to 90%) of initial Fe(III) bioreduction is associated with phyllosilicate rather than oxide forms of iron. The uranium reaction network includes a U(VI) surface complexation model based on laboratory studies with Rifle site sediments and aqueous complexation reactions that include ternary complexes (e. g., calcium-uranyl-carbonate). The bioreduced U(IV), Fe(II), and sulfide components produced during the experiments are strongly associated with the solid phases and may play an important role in long-term uranium immobilization. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Fang, Yilin; Yabusaki, Steven B.; Amonette, James P.; Long, Philip E.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Morrison, Stan J.] SM Stoller Corp, Grand Junction, CO 81503 USA. RP Fang, YL (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM yilin.fang@pnl.gov RI Long, Philip/F-5728-2013; Fang, Yilin/J-5137-2015 OI Long, Philip/0000-0003-4152-5682; FU Office of Science, U. S. Department of Energy FX This research was funded by the Environmental Remediation Science Program, Biological and Environmental Research, Office of Science, U. S. Department of Energy. Pacific Northwest National Laboratory is operated by Battelle for the U. S. Department of Energy under Contract DE-AC05-76RL01830. This manuscript benefited significantly from the anonymous reviewers and Dr. Jon Chorover and we thank them for their helpful comments and suggestions. NR 65 TC 51 Z9 51 U1 1 U2 30 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD OCT 15 PY 2009 VL 73 IS 20 BP 6029 EP 6051 DI 10.1016/j.gca.2009.07.019 PG 23 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 541LF UT WOS:000273416500006 ER PT J AU Ku, TL Luo, S Goldstein, SJ Murrell, MT Chu, WL Dobson, PF AF Ku, T. L. Luo, S. Goldstein, S. J. Murrell, M. T. Chu, W. L. Dobson, P. F. TI Modeling non-steady state radioisotope transport in the vadose zone - A case study using uranium isotopes at Pena Blanca, Mexico SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID I NATURAL ANALOG; MASS-SPECTROMETRY; YUCCA MOUNTAIN; CHIHUAHUA; WATERS; SERIES AB Current models using U-and Th-series disequilibria to study radioisotope transport in groundwater systems mostly consider a steady-state situation. These models have limited applicability to the vadose zone (UZ) where the concentration and migratory behavior of radioisotopes in fluid are often transitory. We present here, as a first attempt of its kind, a model simulating the non-steady state, intermittent fluid transport in vadose layers. It provides quantitative constraints on in-situ migration of dissolved and colloidal radioisotopes in terms of retardation factor and rock-water interaction (or water transit) time. For uranium, the simulation predicts that intermittent flushing in the UZ leads to a linear relationship between reciprocal U concentration and (234)U/(238)U ratio in percolating waters, with the intercept and slope bearing information on the rates of dissolution and alpha-recoil of U isotopes, respectively. The general validity of the model appears to be borne out by the measurement of uranium isotopes in UZ waters collected at various times over a period during 1995-2006 from a site in the Pena Blanca mining district, Mexico, where the Nopal I uranium deposit is located. Enhanced (234)U/(238)U ratios in vadose-zone waters resulting from lengthened non-flushing time as prescribed by the model provide an interpretative basis for using (234)U/(238)U in cave calcites to reconstruct the regional changes in hydrology and climate. We also provide a theoretical account of the model's potential applications using radium isotopes. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Ku, T. L.] Univ So Calif, Dept Earth Sci, Los Angeles, CA 90089 USA. [Ku, T. L.; Luo, S.; Chu, W. L.] Natl Cheng Kung Univ, Dept Earth Sci, Tainan 701, Taiwan. [Goldstein, S. J.; Murrell, M. T.] Los Alamos Natl Lab, Nucl & Radiochem Grp, Los Alamos, NM 87545 USA. [Dobson, P. F.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Ku, TL (reprint author), Univ So Calif, Dept Earth Sci, Los Angeles, CA 90089 USA. EM rku@usc.edu RI Dobson, Patrick/D-8771-2015 OI Dobson, Patrick/0000-0001-5031-8592 NR 27 TC 10 Z9 10 U1 3 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD OCT 15 PY 2009 VL 73 IS 20 BP 6052 EP 6064 DI 10.1016/j.gca.2009.07.011 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 541LF UT WOS:000273416500007 ER PT J AU Ulrich, KU Ilton, ES Veeramani, H Sharp, JO Bernier-Latmani, R Schofield, EJ Bargar, JR Giammar, DE AF Ulrich, Kai-Uwe Ilton, Eugene S. Veeramani, Harish Sharp, Jonathan O. Bernier-Latmani, Rizlan Schofield, Eleanor J. Bargar, John R. Giammar, Daniel E. TI Comparative dissolution kinetics of biogenic and chemogenic uraninite under oxidizing conditions in the presence of carbonate SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID RAY PHOTOELECTRON-SPECTROSCOPY; SOLUTION SATURATION STATE; OXIDATIVE DISSOLUTION; REDUCING CONDITIONS; UNIRRADIATED UO2; PENTAVALENT URANIUM; CHARGE-DISTRIBUTION; DISPOSAL CONDITIONS; HYDROGEN-PEROXIDE; DISSOLVED-OXYGEN AB The long-term stability of biogenic uraninite with respect to oxidative dissolution is pivotal to the success of in situ bioreduction strategies for the subsurface remediation of uranium legacies. Batch and flow-through dissolution experiments were conducted along with spectroscopic analyses to compare biogenic uraninite nanoparticles obtained from Shewanella oneidensis MR-1 and chemogenic UO(2.00) with respect to their equilibrium solubility, dissolution mechanisms, and dissolution kinetics in water of varied oxygen and carbonate concentrations. Both materials exhibited a similar intrinsic solubility of similar to 10(-8) M under reducing conditions. The two materials had comparable dissolution rates under anoxic as well as oxidizing conditions, consistent with structural bulk homology of biogenic and stoichiometric uraninite. Carbonate reversibly promoted uraninite dissolution under both moderately oxidizing and reducing conditions, and the biogenic material yielded higher surface area-normalized dissolution rates than the chemogenic. This difference is in accordance with the higher proportion of U(V) detected on the biogenic uraninite surface by means of X-ray photoelectron spectroscopy. Reasonable sources of a stable U(V)-bearing intermediate phase are discussed. The observed increase of the dissolution rates can be explained by carbonate complexation of U(V) facilitating the detachment of U(V) from the uraninite surface. The fraction of surface-associated U(VI) increased with dissolved oxygen concentration. Simultaneously, X-ray absorption spectra showed conversion of the bulk from UO(2.0) to UO(2+x). In equilibrium with air, combined spectroscopic results support the formation of a near-surface layer of approximate composition UO(2.25) (U(4)O(9)) coated by an outer layer of U(VI). This result is in accordance with flow-through dissolution experiments that indicate control of the dissolution rate of surface-oxidized uraninite by the solubility of metaschoepite under the tested conditions. Although U(V) has been observed in electrochemical studies on the dissolution of spent nuclear fuel, this is the first investigation that demonstrates the formation of a stable U(V) intermediate phase on the surface of submicron-sized uraninite particles suspended in aqueous solutions. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Ulrich, Kai-Uwe; Giammar, Daniel E.] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA. [Ilton, Eugene S.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Veeramani, Harish; Sharp, Jonathan O.; Bernier-Latmani, Rizlan] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Schofield, Eleanor J.; Bargar, John R.] Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. RP Ulrich, KU (reprint author), BGD Soil & Groundwater Lab GmbH, Tiergartenstr 48, D-01219 Dresden, Germany. EM kulrich@bgd-gmbh.de RI Bernier-Latmani, Rizlan/E-4398-2011; Sharp, Jonathan/A-4893-2013; Veeramani, Harish/N-2783-2015 OI Bernier-Latmani, Rizlan/0000-0001-6547-722X; Sharp, Jonathan/0000-0002-2942-1066; Veeramani, Harish/0000-0002-7623-209X FU U. S. Department of Energy, Office of Basic Energy Sciences [DE-FG02-06ER64227, 1027869, 1027833, 1027834]; NIH; NSF [20021-113784] FX We thank Dan Schwarz and David Clark for providing synthetic UO2.00 material and Satya Chinni for running samples on the KPA. We are grateful to Sabine Ulrich, Edgar Leslie, and Scott Dixon for their assistance in the laboratory. We appreciate helpful discussions with Steven Conradson. We thank the Associate Editor, Dr. Zhu, and two anonymous reviewers who helped improve an earlier draft of this manuscript. Funding was provided by the U. S. Department of Energy, Office of Basic Energy Sciences grant # DE-FG02-06ER64227, through the linked Grants 1027869 (SSRL), 1027833 (EPFL), and 1027834 (WU). Part of this research was carried out at the Stanford Synchrotron Radiation Light-source, a national user facility operated by Stanford University on behalf of the U. S. DOE-OBER. Portions of this project were supported by the DOE-BER-funded SSRL Environmental Remediation Science Program and the DOE-BER and NIH-NCRR-funded SSRL Structural Molecular Biology Program. Work carried out at EPFL was funded in part by the Swiss NSF Grant # 20021-113784. NR 68 TC 49 Z9 49 U1 3 U2 48 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD OCT 15 PY 2009 VL 73 IS 20 BP 6065 EP 6083 DI 10.1016/j.gca.2009.07.012 PG 19 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 541LF UT WOS:000273416500008 ER PT J AU Knight, KB Kita, NT Mendybaev, RA Richter, FM Davis, AM Valley, JW AF Knight, Kim B. Kita, Noriko T. Mendybaev, Ruslan A. Richter, Frank M. Davis, Andrew M. Valley, John W. TI Silicon isotopic fractionation of CAI-like vacuum evaporation residues SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID AL-RICH INCLUSIONS; REFRACTORY INCLUSIONS; CRYSTALLIZATION SEQUENCES; FORSTERITE; ALLENDE; CONDENSATION; DIFFUSION; MAGNESIUM; KINETICS; ELEMENTS AB Calcium-, aluminum-rich inclusions (CAIs) are often enriched in the heavy isotopes of magnesium and silicon relative to bulk solar system materials. It is likely that these isotopic enrichments resulted from evaporative mass loss of magnesium and silicon from early solar system condensates while they were molten during one or more high-temperature reheating events. Quantitative interpretation of these enrichments requires laboratory determinations of the evaporation kinetics and associated isotopic fractionation effects for these elements. The experimental data for the kinetics of evaporation of magnesium and silicon and the evaporative isotopic fractionation of magnesium is reasonably complete for Type B CAI liquids (Richter F. M., Davis A. M., Ebel D. S., and Hashimoto A. (2002) Elemental and isotopic fractionation of Type B CAIs: experiments, theoretical considerations, and constraints on their thermal evolution. Geochim. Cosmochim. Acta 66, 521-540; Richter F. M., Janney P. E., Mendybaev R. A., Davis A. M., and Wadhwa M. (2007a) Elemental and isotopic fractionation of Type B CAI-like liquids by evaporation. Geochim. Cosmochim. Acta 71, 5544-5564.). However, the isotopic fractionation factor for silicon evaporating from such liquids has not been as extensively studied. Here we report new ion microprobe silicon isotopic measurements of residual glass from partial evaporation of Type B CAI liquids into vacuum. The silicon isotopic fractionation is reported as a kinetic fractionation factor, alpha(Si), corresponding to the ratio of the silicon isotopic composition of the evaporation flux to that of the residual silicate liquid. For CAI-like melts, we find that alpha(Si) = 0.98985 +/- 0.00044 (2 sigma) for (29)Si/(28)Si with no resolvable variation with temperature over the temperature range of the experiments, 1600-1900 degrees C. This value is different from what has been reported for evaporation of liquid Mg(2)SiO(4) (Davis A. M., Hashimoto A., Clayton R. N., and Mayeda T. K. (1990) Isotope mass fractionation during evaporation of Mg(2)SiO(4). Nature 347, 655-658.) and of a melt with CI chondritic proportions of the major elements (Wang J., Davis A. M., Clayton R. N., Mayeda T. K., and Hashimoto A. (2001) Chemical and isotopic fractionation during the evaporation of the FeO-MgO-SiO(2)-CaO-Al(2)O(3)-TiO(2)-REE melt system. Geochim. Cosmochim. Acta 65, 479-494.). There appears to be some compositional control on alpha(Si), whereas no compositional effects have been reported for alpha(Mg). We use the values of alpha(Si) and alpha(Mg), to calculate the chemical compositions of the unevaporated precursors of a number of isotopically fractionated CAIs from CV chondrites whose chemical compositions and magnesium and silicon isotopic compositions have been previously measured. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Knight, Kim B.; Mendybaev, Ruslan A.; Richter, Frank M.; Davis, Andrew M.] Univ Chicago, Chicago Ctr Cosmochem, Chicago, IL 60637 USA. [Knight, Kim B.; Mendybaev, Ruslan A.; Richter, Frank M.; Davis, Andrew M.] Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. [Davis, Andrew M.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Kita, Noriko T.; Valley, John W.] Univ Wisconsin, Dept Geol & Geophys, WiscSIMS, Madison, WI 53706 USA. RP Knight, KB (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM knight29@llnl.gov RI Valley, John/B-3466-2011; Kita, Noriko/H-8035-2016; OI Valley, John/0000-0003-3530-2722; Kita, Noriko/0000-0002-0204-0765; Davis, Andrew/0000-0001-7955-6236 FU NASA [NNG06GF19G, NNG06GE85G]; NSF [EAR03-19230, EAR07-44079] FX This work was supported by the NASA Cosmochemistry Program through grants NNG06GF19G (AMD, KBK) and NNG06GE85G (RAM, FMR). The WiscSIMS ion microprobe facility is partially supported by NSF grants EAR03-19230 and EAR07-44079 (JWV, NTK). T. Ushikubo is thanked for his optimism and assistance with the isotopic measurements done at the University of Wisconsin, D. Heinz is thanked for the use of his tools for sample preparation, K. Ludwig is thanked for his freely distributed Isoplot program. Constructive reviews by S. Tachibana and an anonymous reviewer are gratefully acknowledged. NR 28 TC 22 Z9 22 U1 7 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD OCT 15 PY 2009 VL 73 IS 20 BP 6390 EP 6401 DI 10.1016/j.gca.2009.07.008 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 541LF UT WOS:000273416500027 ER PT J AU Moucha, R Forte, AM Rowley, DB Mitrovica, JX Simmons, NA Grand, SP AF Moucha, Robert Forte, Alessandro M. Rowley, David B. Mitrovica, Jerry X. Simmons, Nathan A. Grand, Stephen P. TI Deep mantle forces and the uplift of the Colorado Plateau SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID WESTERN UNITED-STATES; RIO-GRANDE RIFT; NORTH-AMERICA; LITHOSPHERE; CONVECTION; SUBDUCTION; EVOLUTION; RIDGE; CONSTRAINTS; CALIFORNIA AB We introduce a quantitative model of global mantle convection that reconstructs the detailed motion of a warm mantle upwelling over the last 30 Ma towards the interior of the southwestern USA from observed present-day mantle heterogeneity. The onset and evolution of uplift in the central Basin and Range province and Colorado Plateau during this time is determined by tracking the topographic swell due to this mantle upwelling. We show that: (1) the extension and basaltic volcanism (post 25 Ma) in the central Basin and Range coincides with the arrival and eastward progression of this upwelling, and (2) dynamic uplift of the southern Colorado Plateau, totaling about 1 km, transpired in the last 20 Ma. Since 10 Ma, the center of uplift continued northeastward from the southwestern rim of the plateau consistent with a young Grand Canyon model and eastward sweep of magmatism in the western Colorado Plateau. Citation: Moucha, R., A. M. Forte, D. B. Rowley, J. X. Mitrovica, N. A. Simmons, and S. P. Grand (2009), Deep mantle forces and the uplift of the Colorado Plateau, Geophys. Res. Lett., 36, L19310, doi: 10.1029/2009GL039778. C1 [Moucha, Robert; Forte, Alessandro M.] Univ Quebec, Geotop, Montreal, PQ H3C 3P8, Canada. [Rowley, David B.] Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. [Mitrovica, Jerry X.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. [Simmons, Nathan A.] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA 94550 USA. [Grand, Stephen P.] Univ Texas Austin, Jackson Sch Geol Sci, Austin, TX 78712 USA. RP Moucha, R (reprint author), Univ Quebec, Geotop, Montreal, PQ H3C 3P8, Canada. EM moucha@sca.uqam.ca RI Grand, Stephen/B-4238-2011; Simmons, Nathan/J-9022-2014; OI Rowley, David/0000-0001-9767-9029 FU Canada Research Chair program; Natural Sciences and Engineering Research Council of Canada; US DOE [DE-AC52-07NA27344.LLNL-JRNL-414161]; NSF [EAR0309189] FX We thank R. Flowers and K. Karlstrom, for their comments which helped to clarify the arguments and results presented in this paper. Support for RM was provided by the Earth System Evolution Program of the Canadian Institute for Advanced Research (CIFAR) in the form of a postdoctoral fellowship. AMF, DBR and JXM acknowledge funding provided by CIFAR. AMF also acknowledges the Canada Research Chair program and the Natural Sciences and Engineering Research Council of Canada. NAS work performed under the auspice of the US DOE by LLNL under contract DE-AC52-07NA27344.LLNL-JRNL-414161. SPG acknowledges NSF grant EAR0309189. This is GEOTOP-UQAM-McGill contribution 2009-0011. NR 32 TC 56 Z9 56 U1 1 U2 27 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD OCT 15 PY 2009 VL 36 AR L19310 DI 10.1029/2009GL039778 PG 6 WC Geosciences, Multidisciplinary SC Geology GA 508OO UT WOS:000270942900003 ER PT J AU Tolmachev, AV Robinson, EW Wu, S Pasa-Tolic, L Smith, RD AF Tolmachev, Aleksey V. Robinson, Errol W. Wu, Si Pasa-Tolic, Ljiljana Smith, Richard D. TI FT-ICR MS optimization for the analysis of intact proteins SO INTERNATIONAL JOURNAL OF MASS SPECTROMETRY LA English DT Article DE FT-ICR; Top-down proteomics; Dynamic range; Resolution; Mass accuracy ID ION-CYCLOTRON RESONANCE; FTICR MASS-SPECTROMETRY; CELL; IDENTIFICATION; DISSOCIATION; PROTEOMICS; RESOLUTION; EJECTION; DESIGN; TRAPS AB Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) remains the technique of choice for the analysis of intact proteins from complex biological systems, i.e., top-down proteomics. Recently, we have implemented a compensated open cylindrical ion trapping cell into a 12 T Fr-ICR mass spectrometer. This new cell has previously demonstrated improved sensitivity, dynamic range, and mass measurement accuracy for the analysis of relatively small tryptic peptides. These improvements are due to the modified trapping potential of the cell which closely approximates the ideal harmonic trapping potential. Here, we report the instrument optimization for the analysis of large macro-molecular ions, such as proteins. Single transient mass spectra of multiply charged bovine ubiquitin ions with sub-ppm mass measurement accuracy, improved signal intensity, and increased dynamic range were obtained using this new cell with increased post-excitation cyclotron radii. The increased cyclotron radii correspond to increased ion kinetic energy and collisions between neutrals and ions with sufficient kinetic energy can exceed a threshold of single collision ion fragmentation. A transition then occurs from relatively long signal lifetimes at low excitation radii to potentially shorter lifetimes, defined by the average ion-neutral collision time. The proposed high energy ion loss mechanism is evaluated and compared with experimental results for bovine ubiquitin and serum albumin. We find that the analysis of large macromolecules can be significantly improved by the further reduction of pressure in the ion trapping cell. This reduces the high energy ion losses and can enable increased sensitivity and mass measurement accuracy to be realized without compromising resolution. Further, these results appear to be generally applicable to FTMS, and it is expected that the high energy ion loss mechanism also applies to Orbitrap mass analyzers. (C) 2008 Elsevier B.V. All rights reserved. C1 [Tolmachev, Aleksey V.; Robinson, Errol W.; Wu, Si; Pasa-Tolic, Ljiljana; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Pasa-Tolic, L (reprint author), Pacific NW Natl Lab, Div Biol Sci, POB 999, Richland, WA 99352 USA. EM ljiljana.pasatolic@pnl.gov RI Robinson, Errol/I-3148-2012; Smith, Richard/J-3664-2012 OI Robinson, Errol/0000-0003-0696-6239; Smith, Richard/0000-0002-2381-2349 FU National Center for Research Resources [RR 018522]; National Institute of Allergy and Infectious Diseases NIH/DHHS [Y1-AI-4894-01]; National Institute of General Medical Sciences NIGMS [R01 GM063883]; U.S. Department of Energy (DOE) Office of Biological and Environmental Research; DOE [DE-AC05-76RLO 1830] FX The authors gratefully acknowledge Dr. J. Laskin for helpful discussions. Portions of this work were supported by the National Center for Research Resources (RR 018522), the National Institute of Allergy and Infectious Diseases (NIH/DHHS through interagency agreement Y1-AI-4894-01), the National Institute of General Medical Sciences (NIGMS, R01 GM063883), and the U.S. Department of Energy (DOE) Office of Biological and Environmental Research. Work was performed in the Environmental Molecular Science Laboratory, a DOE national scientific user facility located on the campus of Pacific Northwest National Laboratory (PNNL) in Richland, Washington. PNNL is a multi-program national laboratory operated by Battelle for the DOE under Contract DE-AC05-76RLO 1830. NR 29 TC 24 Z9 24 U1 3 U2 29 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-3806 J9 INT J MASS SPECTROM JI Int. J. Mass Spectrom. PD OCT 15 PY 2009 VL 287 IS 1-3 BP 32 EP 38 DI 10.1016/j.ijms.2008.10.010 PG 7 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 514ZK UT WOS:000271435500006 ER PT J AU Eliseev, EA Morozovska, AN Kalinin, SV Li, YL Shen, J Glinchuk, MD Chen, LQ Gopalan, V AF Eliseev, Eugene A. Morozovska, Anna N. Kalinin, Sergei V. Li, Yulan Shen, Jie Glinchuk, Maya D. Chen, Long-Qing Gopalan, Venkatraman TI Surface effect on domain wall width in ferroelectrics SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FILMS; DEPOLARIZATION AB We study the effect of the depolarization field on a domain wall structure near the surface of a ferroelectric. Since in real situation bound and screening charges form an electric double layer, the breaking of this layer by the domain wall induces stray depolarization field, which in turn changes the domain wall structure. Power law decay of the stray field results in the power law of polarization saturation near the surface, as compared to exponential saturation in the bulk. Obtained results predict that the surface broadening of ferroelectric domain walls appeared near Curie temperature as well as describe domain wall depth profile in weak ferroelectrics. We qualitatively describe extra-broad domain walls near LiNbO3 and LiTaO3 surfaces observed experimentally at room temperature, which probably originate at high temperatures but did not fully relax their width with temperature decrease allowing for lattice pinning and defect centers. Thus results have broad implication for fundamental issues such as maximal information storage density in ferroelectric data storage, domain wall pinning mechanisms at surfaces and interfaces, and nucleation dynamics. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3236644] C1 [Eliseev, Eugene A.; Morozovska, Anna N.; Glinchuk, Maya D.] Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03142 Kiev, Ukraine. [Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Kalinin, Sergei V.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Li, Yulan; Chen, Long-Qing; Gopalan, Venkatraman] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Shen, Jie] Purdue Univ, Dept Math, W Lafayette, IN 47907 USA. [Morozovska, Anna N.] Natl Acad Sci Ukraine, Inst Semicond Phys, UA-03028 Kiev, Ukraine. RP Eliseev, EA (reprint author), Natl Acad Sci Ukraine, Inst Problems Mat Sci, 3 Krjijanovskogo, UA-03142 Kiev, Ukraine. EM eliseev@i.com.ua; morozo@i.com.ua RI Kalinin, Sergei/I-9096-2012; Chen, LongQing/I-7536-2012; Shen, Jie/B-4956-2014; Shen, Jie/P-4151-2016 OI Kalinin, Sergei/0000-0001-5354-6152; Chen, LongQing/0000-0003-3359-3781; Shen, Jie/0000-0002-4885-5732; Shen, Jie/0000-0002-4885-5732 FU Science and Technology Center in Ukraine [3306]; National Science Foundation [DMR-0602986, 0512165, 0507146, 0213623, MR-0908718]; CNMS; DOE [DE-FG02-07ER46417]; Ministry of Science and Education of Ukrainian [UU30/004] FX Research was partially (E.A.E. and M.D.G.) supported by the Science and Technology Center in Ukraine, Project No. 3306. The research is supported in part (S.V.K.) by the Division of Scientific User Facilities, DOE BES. V. G. wishes to gratefully acknowledge financial support from the National Science Foundation Grant Nos. DMR-0602986, 0512165, 0507146, and 0213623, and CNMS at Oak Ridge National Laboratory. L. Q. and Y. L. are supported by DOE under Grant No. DE-FG02-07ER46417 and Los Alamos National Laboratory. Research also sponsored by Ministry of Science and Education of Ukrainian (Grant No. UU30/004) and National Science Foundation (Materials World Network, MR-0908718). NR 19 TC 13 Z9 14 U1 1 U2 21 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 15 PY 2009 VL 106 IS 8 AR 084102 DI 10.1063/1.3236644 PG 6 WC Physics, Applied SC Physics GA 513XS UT WOS:000271358100069 ER PT J AU Hagmann, CA Hall, JM Johnson, MS McNabb, DP Kelley, JH Huibregtse, C Kwan, E Rusev, G Tonchev, AP AF Hagmann, C. A. Hall, J. M. Johnson, M. S. McNabb, D. P. Kelley, J. H. Huibregtse, C. Kwan, E. Rusev, G. Tonchev, A. P. TI Transmission-based detection of nuclides with nuclear resonance fluorescence using a quasimonoenergetic photon source SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SCATTERING; URANIUM; ATOMS AB We provide a detailed experimental validation of the concept of transmission-based isotope detection. The dominant background processes in this class of systems were measured by studying the detection of (238)U with a quasimonochromatic (Delta E/E similar to 3%) photon beam. A notch develops in the spectrum transmitted through our test objects due to the preferential attenuation of photons with an energy that resonantly excites a bound nuclear state in (238)U near 2 MeV. The notch was measured downstream of our test objects by means of resonant photon scattering from a secondary (238)U target. The dominant backgrounds measured in the notch detector due to radioactive decay and elastic scattering of the transmitted beam are presented. Processes that refill the notch with off-resonance photons will obscure the signal and result in a higher probability of false negatives. A measurement of the refill process produced a null result, and we report an upper limit on the magnitude of the notch fill factor. (C) 2009 American Institute of Physics. [doi:10.1063/1.3238328] C1 [Hagmann, C. A.; Hall, J. M.; Johnson, M. S.; McNabb, D. P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Kelley, J. H.; Huibregtse, C.] N Carolina State Univ, Raleigh, NC 27695 USA. [Kwan, E.; Rusev, G.; Tonchev, A. P.] Duke Univ, Durham, NC 27708 USA. RP Hagmann, CA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM hagmann1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. We thank C. Angell, S. Hammond, H. J. Karwowski, J. R. Tompkins, and W. Tornow for useful discussions and help with the data taking. NR 19 TC 19 Z9 19 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 15 PY 2009 VL 106 IS 8 AR 084901 DI 10.1063/1.3238328 PG 7 WC Physics, Applied SC Physics GA 513XS UT WOS:000271358100110 ER PT J AU Hale, LM Zhou, XW Zimmerman, JA Moody, NR Ballarini, R Gerberich, WW AF Hale, L. M. Zhou, X. W. Zimmerman, J. A. Moody, N. R. Ballarini, R. Gerberich, W. W. TI Molecular dynamics simulation of delamination of a stiff, body-centeredcubic crystalline film from a compliant Si substrate SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID INTERATOMIC POTENTIALS; THIN-FILMS; SILICON; STRESS; ENERGY; FE AB Compliant substrate technology offers an effective approach to grow high-quality multilayered films, of importance to microelectronics and microelectromechanical systems devices. By using a thin, soft substrate to relieve the mismatch strain of an epitaxial film, the critical thickness of misfit dislocation formation in the overlayer is effectively increased. Experiments have indicated that stiff films deposited onto Si substrates can delaminate at the interface. However, the atomic mechanisms of the deformation and the fracture of the films have not been well studied. Here, we have applied molecular dynamics simulations to study the delamination of a stiff body-centered-cubic crystalline film from a compliant Si substrate due to tensile loading. The observed mechanical behavior is shown to be relatively independent of small changes in temperature, loading rate, and system size. Fracture occurs at the interface between the two materials resulting in nearly atomically clean surfaces. Dislocations are seen to nucleate in the body-centered-cubic film prior to delamination. At higher strains, a phase change to a face centered cubic is observed within the body-centered-cubic film, facilitating extensive dislocation growth and interaction. The various defects that form prior to fracture are discussed and related to the mechanical properties of the system. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3238521] C1 [Hale, L. M.; Gerberich, W. W.] Univ Minnesota, Dept Mat Sci, Minneapolis, MN 55455 USA. [Zhou, X. W.; Zimmerman, J. A.] Sandia Natl Labs, Dept Mech Mat, Livermore, CA 94550 USA. [Moody, N. R.] Sandia Natl Labs, Dept Analyt Mat Sci, Livermore, CA 94550 USA. [Ballarini, R.] Univ Minnesota, Dept Civil Engn, Minneapolis, MN 55455 USA. RP Hale, LM (reprint author), Univ Minnesota, Dept Mat Sci, Minneapolis, MN 55455 USA. EM lhale@cems.umn.edu RI Zimmerman, Jonathan/A-8019-2012 FU National Science Foundation [NSF_CMMI 0800896]; Air Force through program [AOARD-08-4131]; Abu Dhabi-Minnesota Institute for Research Excellence (ADMIRE); Sandia Corporation; Lockheed Martin Co.; U. S. Department of Energy's National Nuclear Security Administration [DEAC04-94AL85000] FX This work was partially supported by the National Science Foundation Grant No. NSF_CMMI 0800896. One of us (W.W.G.) would like to acknowledge the support of the Air Force through program Grant No. AOARD-08-4131 dedicated to understanding plasticity and fracture in hard materials and the Abu Dhabi-Minnesota Institute for Research Excellence (ADMIRE), a partnership between the Petroleum Institute (PI) of Abu Dhabi and the Department of Chemical Engineering and Materials Science of the University of Minnesota. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the U. S. Department of Energy's National Nuclear Security Administration under Contract No. DEAC04-94AL85000. NR 25 TC 3 Z9 3 U1 0 U2 14 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 15 PY 2009 VL 106 IS 8 AR 083503 DI 10.1063/1.3238521 PG 7 WC Physics, Applied SC Physics GA 513XS UT WOS:000271358100025 ER PT J AU Jiang, XW Deng, HX Li, SS Luo, JW Wang, LW AF Jiang, Xiang-Wei Deng, Hui-Xiong Li, Shu-Shen Luo, Jun-Wei Wang, Lin-Wang TI Quantum mechanical simulation of nanosized metal-oxide-semiconductor field-effect transistor using empirical pseudopotentials: A comparison for charge density occupation methods SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ELECTRONIC-STRUCTURE; SILICON DEVICES; TRANSPORT; MOSFETS; NANOTRANSISTORS; APPROXIMATION; EQUATIONS; DESIGN; MODELS; LIMIT AB The atomistic pseudopotential quantum mechanical calculations are used to study the transport in million atom nanosized metal-oxide-semiconductor field-effect transistors. In the charge self-consistent calculation, the quantum mechanical eigenstates of closed systems instead of scattering states of open systems are calculated. The question of how to use these eigenstates to simulate a nonequilibrium system, and how to calculate the electric currents, is addressed. Two methods to occupy the electron eigenstates to yield the charge density in a nonequilibrium condition are tested and compared. One is a partition method and another is a quasi-Fermi level method. Two methods are also used to evaluate the current: one uses the ballistic and tunneling current approximation, another uses the drift-diffusion method. (C) 2009 American Institute of Physics. [doi:10.1063/1.3248262] C1 [Jiang, Xiang-Wei; Deng, Hui-Xiong; Li, Shu-Shen] Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China. [Luo, Jun-Wei] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Wang, Lin-Wang] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Jiang, XW (reprint author), Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, POB 912, Beijing 100083, Peoples R China. EM xwjiang@semi.ac.cn RI LUO, JUN-WEI/A-8491-2010; LUO, JUNWEI/B-6545-2013 FU National Basic Research Program of China [G2009CB929300]; National Natural Science Foundation of China [60821061, 60776061]; U.S. Department of Energy BES, Office of Science [DE-AC02-05CH11231] FX This work was supported by the National Basic Research Program of China (973 Program) Grant No. G2009CB929300 and the National Natural Science Foundation of China under Grant Nos. 60821061 and 60776061. L. W. W. is funded by the U.S. Department of Energy BES, Office of Science, under Contract No. DE-AC02-05CH11231. NR 40 TC 3 Z9 3 U1 2 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 15 PY 2009 VL 106 IS 8 AR 084510 DI 10.1063/1.3248262 PG 9 WC Physics, Applied SC Physics GA 513XS UT WOS:000271358100107 ER PT J AU Martin, JE Gulley, G AF Martin, James E. Gulley, G. TI Field-structured composites for efficient, directed heat transfer SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID THERMAL-CONDUCTIVITY AB Thermally conductive composites are needed for a variety of applications, especially as thermal interface materials. Unfortunately, the addition of even highly conductive particles to a polymer raises its conductivity only slightly and incurs a commensurate increase in the viscosity of the prepolymer resin. Meaningful increases in the thermal conductivity of the final composite require a filled resin that has the rheology of a typical paste. In this paper, we report on the use of uniaxial, biaxial, and triaxial ac magnetic fields to organize thermally conductive magnetic particles into structures that conduct heat more efficiently. Experimental results are compared to an extension of the Maxwell-Eucken theory that takes into account spatial correlations between particles. Both theory and experiment show that the thermal conductivity of field-structured composites increases essentially linearly with particle loading, and that the enhancement is significantly greater than that of unstructured composites. The measured conductivity enhancements are found to be comparable to the enhancements in magnetic permeability of these composites and are far less than the enhancements in the electrical conductivity. These results indicate the value of field structuring in enhancing the performance of a thermal interface material and show that particle percolation is not a critical factor in achieving high performance. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3245322] C1 [Martin, James E.; Gulley, G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Martin, JE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jmartin@sandia.gov FU U. S. Department of Energy [DE-AC0494AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U. S. Department of Energy under Contract No. DE-AC0494AL85000. This work was supported by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U. S. Department of Energy (DOE). NR 17 TC 13 Z9 14 U1 1 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 15 PY 2009 VL 106 IS 8 AR 084301 DI 10.1063/1.3245322 PG 7 WC Physics, Applied SC Physics GA 513XS UT WOS:000271358100076 ER PT J AU Noh, JH Hong, HB Lee, JK Cho, CM Kim, JY Lee, S Cho, IS Jung, HS Hong, KS AF Noh, Jun Hong Hong, Hee Beom Lee, Jung-Kun Cho, Chin Moo Kim, Jin Young Lee, Sangwook Cho, In-Sun Jung, Hyun Suk Hong, Kug Sun TI Structure and dielectric properties of cubic Bi-2(Zn1/3Ta2/3)(2)O-7 thin films SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PYROCHLORE; CERAMICS; RELAXATION; GROWTH AB Pyrochlore Bi-2(Zn1/3Ta2/3)(2)O-7 (BZT) films were prepared by pulsed laser deposition on Pt/TiO2/SiO2/Si substrates. In contrast to bulk monoclinic BZT ceramics, the BZT films have a cubic structure mediated by an interfacial layer. The dielectric properties of the cubic BZT films [epsilon similar to 177, temperature coefficient of capacitance (TCC) similar to- 170 ppm/degrees C] are much different from those of monoclinic BZT ceramics (epsilon similar to 61, TCC similar to+60 ppm/degrees C). Increasing the thickness of the BZT films returns the crystal structure to the monoclinic phase, which allows the dielectric properties of the BZT films to be tuned without changing their chemical composition. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3246807] C1 [Lee, Jung-Kun] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15260 USA. [Noh, Jun Hong; Hong, Hee Beom; Cho, Chin Moo; Hong, Kug Sun] Seoul Natl Univ, Dept Mat Sci & Engn, Seoul 151742, South Korea. [Lee, Sangwook; Cho, In-Sun; Hong, Kug Sun] Seoul Natl Univ, Res Inst Adv Mat, Seoul 151742, South Korea. [Kim, Jin Young] Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO 80401 USA. [Jung, Hyun Suk] Kookmin Univ, Sch Adv Mat Engn, Seoul 136702, South Korea. RP Lee, JK (reprint author), Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15260 USA. EM jul37@pitt.edu RI Kim, Jin Young/B-7077-2012; Cho, In Sun/H-6557-2011; Lee, Sangwook/O-9166-2015; Jung, Hyun Suk/H-3659-2015; OI Kim, Jin Young/0000-0001-7728-3182; Lee, Sangwook/0000-0002-3535-0241; Jung, Hyun Suk/0000-0002-7803-6930 NR 19 TC 0 Z9 0 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 15 PY 2009 VL 106 IS 8 AR 084103 DI 10.1063/1.3246807 PG 4 WC Physics, Applied SC Physics GA 513XS UT WOS:000271358100070 ER PT J AU Wang, ZG Gao, F Li, JB Zu, XT Weber, WJ AF Wang, Zhiguo Gao, Fei Li, Jingbo Zu, Xiaotao Weber, William J. TI Stone-Wales defects created by low energy recoils in single-walled silicon carbide nanotubes SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID BETA-SIC NANORODS; CARBON NANOTUBES; DISPLACEMENT; NANOWIRES AB The defect creation at low energy events was studied using density functional theory molecular dynamics simulations in silicon carbide nanotubes, and the displacement threshold energies determined exhibit a dependence on sizes, which decrease with decreasing diameter of the nanotubes. The Stone-Wales (SW) defect, which is a common defect configurations induced through irradiation in nanotubes, has also been investigated, and the formation energies of the SW defects increase with increasing diameter of the nanotubes. The mean threshold energies were found to be 23 and 18 eV for Si and C in armchair (5,5) nanotubes. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3238307] C1 [Wang, Zhiguo; Zu, Xiaotao] Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. [Wang, Zhiguo; Li, Jingbo] Chinese Acad Sci, State Key Lab Superlattices & Microstruct, Inst Semicond, Beijing 100083, Peoples R China. [Gao, Fei; Weber, William J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wang, ZG (reprint author), Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. EM zgwang@uestc.edu.cn; fei.gao@pnl.gov; jbli@semi.ac.cn RI Weber, William/A-4177-2008; Gao, Fei/H-3045-2012; Wang, Zhiguo/B-7132-2009 OI Weber, William/0000-0002-9017-7365; FU National Natural Science Foundation of China [10704014]; Sichuan Young Scientists Foundation [09ZQ026029]; PhD Funding Support Program of Education Ministry of China [20090450052]; "One-Hundred Talents Plan" of the Chinese Academy of Sciences; U. S. Department of Energy [DE-AC0576RL01830] FX Z. Wang was financially supported by the National Natural Science Foundation of China (Grant No. 10704014), the Sichuan Young Scientists Foundation (Grant No. 09ZQ026029), and the PhD Funding Support Program of Education Ministry of China (Grant No. 20090450052). J. Li gratefully acknowledges financial support from the "One-Hundred Talents Plan" of the Chinese Academy of Sciences. F. Gao and W. J. Weber were supported by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U. S. Department of Energy under Contract No. DE-AC0576RL01830. NR 28 TC 17 Z9 17 U1 0 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 15 PY 2009 VL 106 IS 8 AR 084305 DI 10.1063/1.3238307 PG 4 WC Physics, Applied SC Physics GA 513XS UT WOS:000271358100080 ER PT J AU Bhatnagar, A Choi, Y Yoon, Y Shin, Y Jeon, BH Kang, JW AF Bhatnagar, Amit Choi, YangHun Yoon, YeoJoon Shin, Yongsoon Jeon, Byong-Hun Kang, Joon-Wun TI Bromate removal from water by granular ferric hydroxide (GFH) SO JOURNAL OF HAZARDOUS MATERIALS LA English DT Article DE Bromate removal; Granular ferric hydroxide (GFH); Sorption isotherms; Equilibrium and kinetic modeling; Adsorption mechanism ID ION-EXCHANGE-RESIN; ACTIVATED CARBON; AQUEOUS-SOLUTIONS; DRINKING-WATER; ADSORPTION; EQUILIBRIUM; IRRADIATION; DIFFUSION; REDUCTION; KINETICS AB The feasibility of granular ferric hydroxide (GFH) for bromate removal from water has been studied. Batch experiments were performed to study the influence of various experimental parameters such as effect of contact time, initial bromate concentration, temperature, pH and effect of competing anions on bromate removal by GFH. The adsorption kinetics indicates that uptake rate of bromate was rapid at the beginning and 75% adsorption was completed in 5 min and equilibrium was achieved within 20 min. The sorption process was well described by pseudo-second-order kinetics. The maximum adsorption potential of GFH for bromate removal was 16.5 mg g(-1) at 25 degrees C. The adsorption data fitted well to the Langmuir model. The increase in OH peak and absence of Br-O bonding in MR spectra indicate that ion-exchange was the main mechanism during bromate sorption on GFH. The effects of competing anions and solution pHs (3-9) were negligible. Results of the present study suggest that GFH can be effectively utilized for bromate removal from drinking water. (C) 2009 Elsevier B.V. All rights reserved. C1 [Bhatnagar, Amit; Choi, YangHun; Yoon, YeoJoon; Jeon, Byong-Hun; Kang, Joon-Wun] Yonsei Univ, Dept Environm Engn, YIEST, Wonju 220710, Gangwon Do, South Korea. [Shin, Yongsoon] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Kang, JW (reprint author), Yonsei Univ, Dept Environm Engn, YIEST, Wonju 220710, Gangwon Do, South Korea. EM jwk@yonsei.ac.kr RI BHATNAGAR, AMIT/A-8838-2008; OI BHATNAGAR, AMIT/0000-0002-3565-9943; Jeon, Byong-Hun/0000-0002-5478-765X FU Basic Science Programs funded by the Ministry of Science & Technology (MOST) of Korea [R01-2006-000-10250-0]; Brain Korea-21 (BK-21) of Ministry of Education & Human Resource Development FX This work was supported by grant No.(R01-2006-000-10250-0) from the Basic Science Programs funded by the Ministry of Science & Technology (MOST) of Korea, 21 st Frontier research project (Sustainable Water Resources Research Center 3-4-3) and by Brain Korea-21 (BK-21) of Ministry of Education & Human Resource Development. NR 36 TC 56 Z9 61 U1 1 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3894 J9 J HAZARD MATER JI J. Hazard. Mater. PD OCT 15 PY 2009 VL 170 IS 1 BP 134 EP 140 DI 10.1016/j.jhazmat.2009.04.123 PG 7 WC Engineering, Environmental; Engineering, Civil; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 485YJ UT WOS:000269162000019 PM 19481866 ER PT J AU Tang, GP Mayes, MA Parker, JC Yin, XPL Watson, DB Jardine, PM AF Tang, Guoping Mayes, Melanie A. Parker, Jack C. Yin, Xiangping L. Watson, David B. Jardine, Philip M. TI Improving parameter estimation for column experiments by multi-model evaluation and comparison SO JOURNAL OF HYDROLOGY LA English DT Article DE Sensitivity/uncertainty analysis; Nonlinear least squares; Equilibrium/non-equilibrium convective; dispersion equation; Monte Carlo analysis ID NONEQUILIBRIUM SOLUTE TRANSPORT; UNSATURATED POROUS-MEDIA; SOIL COLUMNS; AGGREGATED OXISOL; PREFERENTIAL FLOW; IMMOBILE WATER; SATURATED SOIL; DISCRIMINATION; LYSIMETER; DESIGN AB The equilibrium convection dispersion equation model is often unable to accurately simulate breakthrough curves from column experiments. While the non-equilibrium convection dispersion equation model may match the data well, uncertainty in parameter estimates is often large. In this work we investigate approaches to improve match for the equilibrium model and reduce parameter estimate uncertainty for the non-equilibrium model. Four column experiment data sets are selected from the literature for the illustration. For the equilibrium convection dispersion equation model, we show that measurement error, presence of immobile water, and other mechanisms can cause mismatch between model predictions and observations because the model is sensitive to water content. The mismatch may be overcome by calibrating the effective water content. For the non-equilibrium convection dispersion equation model, simultaneous fitting of multiple tracers with reduced number of calibration parameters (e.g., assuming the dispersivity and mobile water fraction to be identical for different tracers, the mass transfer coefficient to be proportional to tracer molecular diffusion coefficient) can reduce the uncertainty in parameter estimate and better identify/quantify the non-equilibrium processes. By evaluating and comparing the multiple estimates obtained with different choices of calibration parameters (e.g., fixing or estimating water content), parameterizations and models (e.g., equilibrium or non-equilibrium), the reliability of the data interpretation can be improved by quantifying uncertainty in the experiment, considering alternative transport processes, and following the principle of parsimony. Published by Elsevier B.V. C1 [Tang, Guoping; Mayes, Melanie A.; Yin, Xiangping L.; Watson, David B.; Jardine, Philip M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Parker, Jack C.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. RP Tang, GP (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008,MS 6038, Oak Ridge, TN 37831 USA. EM tangg@ornl.gov RI Tang, Guoping/A-5141-2010 OI Tang, Guoping/0000-0003-1090-3564 FU Environmental Remediation Sciences Program; US DOE [DEAC05-00OR22725] FX We acknowledge the DOE Office of Biological and Environmental Research for support of this research through the Environmental Remediation Sciences Program. We acknowledge Frederick M. Mann of the Tank Farm Vadose Zone Group and CH2 M Hill Hanford Group, Inc. for providing support for the IDF work under contract with the US DOE. Oak Ridge National Laboratory is managed by the University of Tennessee-Battelle, LLC, under contract DEAC05-00OR22725 with the US DOE. NR 40 TC 14 Z9 14 U1 2 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-1694 J9 J HYDROL JI J. Hydrol. PD OCT 15 PY 2009 VL 376 IS 3-4 BP 567 EP 578 DI 10.1016/j.jhydrol.2009.07.063 PG 12 WC Engineering, Civil; Geosciences, Multidisciplinary; Water Resources SC Engineering; Geology; Water Resources GA 511LD UT WOS:000271165600020 ER PT J AU Kim, DS Il Cho, H Kim, DH Lee, BS Lee, BS Yoon, SW Kim, YS Moon, GY Byun, H Rhim, JW AF Kim, Dae Sik Il Cho, Hyun Kim, Dae Hoon Lee, Byung Seong Lee, Bo Sung Yoon, Suk Won Kim, Yu Seung Moon, Go Young Byun, Hongsik Rhim, Ji Won TI Surface fluorinated poly(vinyl alcohol)/poly(styrene sulfonic acid-co-maleic acid) membrane for polymer electrolyte membrane fuel cells SO JOURNAL OF MEMBRANE SCIENCE LA English DT Article DE Proton conductivity; Methanol permeability; Crosslinked poly(vinyl alcohol) membranes; Poly(styrene sulfonic acid-co-maleic acid); Direct fluorination ID PROTON CONDUCTIVITY; HYBRID MEMBRANES; ALCOHOL); POLYSULFONE; PERFORMANCE; PROPERTY; BEHAVIOR AB Surface fluorination effectively reduced the water absorption of crosslinked polyvinyl alcohol (PVA)/poly(styrene sulfonic acid-co-maleic acid) (PSSA_MA) membranes. The crosslinked PVA membranes were prepared using PSSA_MA as a crosslinking agent as well as a donor of the hydrophilic group (-SO(3)H and/or -COOH). Surface treatment by gaseous fluorine treatment disrupted the C-OH bonds and generated C-F and C-F(2) groups at the membrane surface where atomic percent of fluorine increased up to 5.4%. The membranes with highly hydrophobic fluorinated surface exhibited improved proton conductivity and methanol permeability at a relatively low water uptake. (c) 2009 Elsevier B.V. All rights reserved. C1 [Il Cho, Hyun; Kim, Dae Hoon; Lee, Byung Seong; Lee, Bo Sung; Yoon, Suk Won; Rhim, Ji Won] Hannam Univ, Dept Chem Engn, Taejon 305811, South Korea. [Kim, Dae Sik; Kim, Yu Seung] Los Alamos Natl Lab, Mat Phys & Applicat Sensors & Electrochem Devices, Los Alamos, NM 87545 USA. [Moon, Go Young] LS Ind Syst Co Ltd, Adv Sci & Tech Div, Anyang 431080, South Korea. [Byun, Hongsik] Keimyung Univ, Dept Chem Syst Engn, Taegu 704701, South Korea. RP Rhim, JW (reprint author), Hannam Univ, Dept Chem Engn, 461-6 Jeonmin Dong, Taejon 305811, South Korea. EM jwrhim@hnu.kr FU Korea Institute of Energy Technology Evaluation and Planning (KETEP) FX This study was supported by the R & D Fund of Renewable Energy, Korea Institute of Energy Technology Evaluation and Planning (KETEP). NR 25 TC 26 Z9 26 U1 1 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0376-7388 J9 J MEMBRANE SCI JI J. Membr. Sci. PD OCT 15 PY 2009 VL 342 IS 1-2 BP 138 EP 144 DI 10.1016/j.memsci.2009.06.034 PG 7 WC Engineering, Chemical; Polymer Science SC Engineering; Polymer Science GA 492RZ UT WOS:000269678400017 ER PT J AU Jensen, L Govind, N AF Jensen, Lasse Govind, Niranjan TI Reply to "Comment on 'Excited States of DNA Base Pairs Using Long-Range Corrected Time-Dependent Density Functional Theory'" SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Editorial Material C1 [Jensen, Lasse] Penn State Univ, Dept Chem, University Pk, PA 16802 USA. [Govind, Niranjan] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Jensen, L (reprint author), Penn State Univ, Dept Chem, 104 Chem Bldg, University Pk, PA 16802 USA. EM jensen@chem.psu.edu; niri.govind@pnl.gov RI Govind, Niranjan/D-1368-2011; Jensen, Lasse/B-5132-2008 NR 0 TC 2 Z9 2 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD OCT 15 PY 2009 VL 113 IS 41 BP 11095 EP 11095 DI 10.1021/jp908490z PG 1 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 503MO UT WOS:000270538800029 ER PT J AU Lloyd, MT Lee, YJ Davis, RJ Fang, E Fleming, RM Hsu, JWP Kline, RJ Toney, MF AF Lloyd, Matthew T. Lee, Yun-Ju Davis, Robert J. Fang, Erica Fleming, Robert M. Hsu, Julia W. P. Kline, R. Joseph Toney, Michael F. TI Improved Efficiency in Poly(3-hexylthiophene)/Zinc Oxide Solar Cells via Lithium Incorporation SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID HYBRID PHOTOVOLTAIC DEVICES; LI-DOPED ZNO; POLYTHIOPHENE; NANOPARTICLES; POLYMER; FILM AB The efficiency of poly(3-hexylthiophene)/zinc oxide planar heterojunction solar cells is on average raised by a factor of 2.9 by incorporating lithium during the sol-gel processing of the metal oxide layer. Studies performed on over 300 diodes show systematic increases in both open-circuit voltage (V,,,) and short-circuit current (J(sc)) up to an optimum Li concentration between 15 and 20 atom %. Compared to pure ZnO devices, the incorporation of lithium improves the V(oc) and J(sc) by an average of 42 and 90%, respectively. For the best device, the efficiency increases by a factor of 7.5, yielding a power conversion efficiency of 0.44%, which is approaching the efficiency of the state-of-the-art nanostructured hybrid solar cells. Enhancements in V(oc) are attributed to a larger donor-acceptor energy band edge offset due to a rigid shift of Zn(1-x)Li(x)O energy levels toward to the vacuum level with Li incorporation. J(sc), improvements arise from a higher surface roughness with lithium incorporation and from better P3HT ordering at the heterojunction interface. C1 [Lloyd, Matthew T.; Lee, Yun-Ju; Davis, Robert J.; Fang, Erica; Fleming, Robert M.; Hsu, Julia W. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Kline, R. Joseph] Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. [Toney, Michael F.] Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Lloyd, MT (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM matthew.lloyd@nrel.gov RI Kline, Regis/B-8557-2008; Fleming, Robert/B-1248-2008 FU Sandia LDRD program; Division of Material Sciences and Engineering; U.S. Department of Energy [DE-AC04-94AL85000] FX The authors gratefully acknowledge J. A. Ohlhausen for collection of the TOF-SIMS profiles, M. Rodriguez for pointing out the lithium carbonate phase, J. Huang for SAED and TEM imaging, and M. T. Brurnbach for fruitful discussion. Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource, a national user facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. This work was supported by Sandia LDRD program and by the Division of Material Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy under Contract DE-AC04-94AL85000. NR 24 TC 19 Z9 21 U1 1 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 15 PY 2009 VL 113 IS 41 BP 17608 EP 17612 DI 10.1021/jp907758s PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 502LA UT WOS:000270459900006 ER PT J AU Yim, WL Johnson, JK AF Yim, Wai-Leung Johnson, J. Karl TI Ozone Oxidation of Single Walled Carbon Nanotubes from Density Functional Theory SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID INITIO MOLECULAR-DYNAMICS; VIBRATIONAL FREQUENCIES; PHYSICAL ADSORPTION; POTENTIAL-ENERGY; DEFECT SITE; GAS-PHASE; OZONOLYSIS; SURFACE; HYDROGEN; CO2 AB Ozone is known to react with single-walled nanotubes (SWNTs) to form oxide species on the nanotubes and, upon annealing, to etch the SWNTs. However, the mechanism of ozone attack is not known. We use gradient-corrected density functional theory to compute the potential energy surfaces for O(3) dissociation on the side-wall of a pristine (8,8) SWNT. Two decomposition pathways were considered; the first involves the formation of a Criegee intermediate, with a barrier of 17 kcal/mol, followed by transformations leading to lactone, quinone, and carbonyl functional groups. The activation barriers for these transformations are below 23 kcal/mol. The cleavage of the lactone group, evolving CO and CO(2), have barrier heights of 39.4 and 49.3 kcal/mol, respectively. This agrees well with experimental findings that the evolution of CO(2) and CO occur at 600 K. The second decomposition pathway involves the direct cleavage of the ozonide, forming a singlet O(2) and an ether or epoxide group on the SWNT. This pathway competes with the Criegee mechanism; the barrier for forming singlet O(2)is 7.9 kcal/mol, which is 9.1 kcal/mol lower than the barrier to formation of the Criegee intermediate, indicating that formation of ether or epoxide groups is kinetically favored. However, formation of ester and carbonyl groups could proceed by subsequent addition of O(3) on newly generated defect sites. Vibrational frequency calculations were carried out on cluster models in order to predict infrared absorption signals of local structures. The calculated results for C=O stretching frequencies agree well with experiments. Analysis of the calculated frequencies indicates that the unassigned experimental band at 1380 cm(-1) is due to ester and ether groups, while the unassigned band at 925 cm(-1) is due to epoxide groups. The vibrational frequency of the O(+)-O(-) stretch in the Criegee intermediate is in the range 1055-1096 cm(-1). C1 [Yim, Wai-Leung; Johnson, J. Karl] Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15261 USA. [Yim, Wai-Leung] Univ Pittsburgh, Ctr Surface Sci, Dept Chem, Pittsburgh, PA 15260 USA. [Johnson, J. Karl] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Johnson, JK (reprint author), Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15261 USA. EM karlj@pitt.edu RI Yim, Wai-Leung/B-6629-2013; Johnson, Karl/E-9733-2013 OI Johnson, Karl/0000-0002-3608-8003 FU Army Research Office FX We gratefully acknowledge the Army Research Office for the support of this work. Computations were performed at the Center for Molecular and Material Simulations at the University of Pittsburgh and at the U.S. Army Research Laboratory Ma jor Shared Resource Center through a Department of Defense High Performance Computing challenge grant. We acknowledge Professor K. D. Jordon for many helpful discussions. NR 84 TC 30 Z9 30 U1 5 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 15 PY 2009 VL 113 IS 41 BP 17636 EP 17642 DI 10.1021/jp908089c PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 502LA UT WOS:000270459900010 ER PT J AU Gaufin, T Pattison, M Gautam, R Stoulig, C Dufour, J MacFarland, J Mandell, D Tatum, C Marx, MH Ribeiro, RM Montefiori, D Apetrei, C Pandrea, I AF Gaufin, Thaidra Pattison, Melissa Gautam, Rajeev Stoulig, Crystal Dufour, Jason MacFarland, Jeanne Mandell, Daniel Tatum, Coty Marx, Matthew H. Ribeiro, Ruy M. Montefiori, David Apetrei, Cristian Pandrea, Ivona TI Effect of B-Cell Depletion on Viral Replication and Clinical Outcome of Simian Immunodeficiency Virus Infection in a Natural Host SO JOURNAL OF VIROLOGY LA English DT Article ID AFRICAN-GREEN MONKEYS; NEUTRALIZING ANTIBODY-RESPONSES; ANTI-CD20 MONOCLONAL-ANTIBODY; SYSTEMIC-LUPUS-ERYTHEMATOSUS; HUMORAL IMMUNE-RESPONSES; CD4(+) T-CELLS; SOOTY MANGABEYS; SIV INFECTION; HIV-1 INFECTION; LYMPHOCYTE DYSFUNCTIONS AB Simian immunodeficiency virus (SIV)-infected African nonhuman primates do not progress to AIDS in spite of high and persistent viral loads (VLs). Some authors consider the high viral replication observed in chronic natural SIV infections to be due to lower anti-SIV antibody titers than those in rhesus macaques, suggesting a role of antibodies in controlling viral replication. We therefore investigated the impact of antibody responses on the outcome of acute and chronic SIVagm replication in African green monkeys (AGMs). Nine AGMs were infected with SIVagm. sab. Four AGMs were infused with 50 mg/kg of body weight anti-CD20 (rituximab; a gift from Genentech) every 21 days, starting from day -7 postinfection up to 184 days. The remaining AGMs were used as controls and received SIVagm only. Rituximab-treated AGMs were successfully depleted of CD20 cells in peripheral blood, lymph nodes (LNs), and intestine, as shown by the dynamics of CD20(+) and CD79a(+) cells. There was no significant difference in VLs between CD20-depleted AGMs and control monkeys: peak VLs ranged from 10(7) to 10(8) copies/ml; set-point values were 10(4) to 10(5) SIV RNA copies/ml. Levels of acute mucosal CD4(+) T-cell depletion were similar for treated and nontreated animals. SIVagm seroconversion was delayed for the CD20-depleted AGMs compared to results for the controls. There was a significant difference in both the timing and magnitude of neutralizing antibody responses for CD20-depleted AGMs compared to results for controls. CD20 depletion significantly altered the histological structure of the germinal centers in the LNs and Peyer's patches. Our results, although obtained with a limited number of animals, suggest that humoral immune responses play only a minor role in the control of SIV viral replication during acute and chronic SIV infection in natural hosts. C1 [Apetrei, Cristian; Pandrea, Ivona] Univ Pittsburgh, Ctr Vaccine Res, Pittsburgh, PA 15261 USA. [Gaufin, Thaidra; Pattison, Melissa; Gautam, Rajeev; MacFarland, Jeanne; Mandell, Daniel; Tatum, Coty; Apetrei, Cristian] Tulane Natl Primate Res Ctr, Div Microbiol, Covington, LA 70433 USA. [Stoulig, Crystal; Marx, Matthew H.; Pandrea, Ivona] Tulane Natl Primate Res Ctr, Div Comparat Pathol, Covington, LA 70433 USA. [Dufour, Jason] Tulane Natl Primate Res Ctr, Div Vet Med, Covington, LA 70433 USA. [Ribeiro, Ruy M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Montefiori, David] Duke Univ, Dept Surg, Durham, NC 27710 USA. [Apetrei, Cristian] Tulane Univ, Sch Publ Hlth, Dept Trop Med, New Orleans, LA 70112 USA. [Pandrea, Ivona] Tulane Univ, Sch Med, Dept Pathol, New Orleans, LA 70112 USA. RP Pandrea, I (reprint author), Univ Pittsburgh, Ctr Vaccine Res, 9045 Biomedial Sci Tower 3,3501 5th Ave, Pittsburgh, PA 15261 USA. EM pandrea@pitt.edu OI Ribeiro, Ruy/0000-0002-3988-8241 FU National Institute of Allergy and Infectious Diseases [R01 AI064066, R21 AI069935, R01 AI065325, P20 RR020159, P51 RR000164] FX We thank James Binley, Preston A. Marx, Christopher J. Miller, Louis Picker, and James Robinson for helpful discussions; the Division of Veterinary Medicine of the TNPRC for animal care; Mary Barnes for reading the manuscript; and Robin Rodriguez for help in preparing figures.; This work was supported by grants R01 AI064066 and R21 AI069935 (IP), R01 AI065325 and P20 RR020159 (CA), and P51 RR000164 (TNPRC) from the National Institute of Allergy and Infectious Diseases (http://www3. niaid. nih. gov/) and from the National Center for Research Resources (http://www.ncrr.nih.gov/).; The funders had no role in the study design, data collection and analysis, the decision to publish, or the preparation of the manuscript. NR 76 TC 32 Z9 32 U1 0 U2 1 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X J9 J VIROL JI J. Virol. PD OCT 15 PY 2009 VL 83 IS 20 BP 10347 EP 10357 DI 10.1128/JVI.00880-09 PG 11 WC Virology SC Virology GA 498FC UT WOS:000270121600003 PM 19656874 ER PT J AU Whitney, JB Luedemann, C Hraber, P Rao, SS Mascola, JR Nabel, GJ Letvin, NL AF Whitney, James B. Luedemann, Corinne Hraber, Peter Rao, Srinivas S. Mascola, John R. Nabel, Gary J. Letvin, Norman L. TI T-Cell Vaccination Reduces Simian Immunodeficiency Virus Levels in Semen SO JOURNAL OF VIROLOGY LA English DT Article ID SEXUAL TRANSMISSION; HETEROSEXUAL TRANSMISSION; HIV-INFECTION; VIRAL LOAD; URETHRITIS; VACCINES; IMPACT; MODEL AB Recent findings suggest that most sexual transmission of human immunodeficiency virus type 1 (HIV-1) occurs during the acute phase of infection when viral replication is most intense. Here, we show that vaccine-elicited cellular immune responses can significantly reduce simian immunodeficiency virus levels in the semen during the period of primary infection in monkeys. A vaccine that decreases the quantity of HIV-1 in the semen of males during primary infection might decrease HIV-1 transmission in human populations and therefore affect the spread of AIDS. C1 [Whitney, James B.; Luedemann, Corinne; Letvin, Norman L.] Harvard Univ, Beth Israel Deaconess Med Ctr, Sch Med, Div Viral Pathogenesis,Dept Med, Boston, MA 02215 USA. [Hraber, Peter] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Rao, Srinivas S.; Mascola, John R.; Nabel, Gary J.; Letvin, Norman L.] NIAID, Vaccine Res Ctr, Bethesda, MD 20892 USA. RP Letvin, NL (reprint author), Harvard Univ, Beth Israel Deaconess Med Ctr, Sch Med, Div Viral Pathogenesis,Dept Med, CLS 1043,3 Blackfan Circle, Boston, MA 02215 USA. EM nletvin@bidmc.harvard.edu OI Hraber, Peter/0000-0002-2920-4897 FU Intramural Research Program of the Vaccine Research Center, NIAID FX This work was supported by the Intramural Research Program of the Vaccine Research Center, NIAID. NR 22 TC 13 Z9 13 U1 0 U2 0 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X J9 J VIROL JI J. Virol. PD OCT 15 PY 2009 VL 83 IS 20 BP 10840 EP 10843 DI 10.1128/JVI.01202-09 PG 4 WC Virology SC Virology GA 498FC UT WOS:000270121600050 PM 19640980 ER PT J AU Li, HQ Misra, A Zhu, YT Horita, Z Koch, CC Holesinger, TG AF Li, Hongqi Misra, Amit Zhu, Yuntian Horita, Zenji Koch, Carl C. Holesinger, Terry G. TI Processing and characterization of nanostructured Cu-carbon nanotube composites SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Nanostructures; Metal-matrix composite; Carbon nanotubes; Strength ID MATRIX NANOCOMPOSITES; THERMAL-STABILITY; ALUMINUM; STRENGTH; BEHAVIOR; MICROHARDNESS; EVOLUTION; HARDNESS; MODULUS AB Carbon nanotube (CNT) reinforced nanostructured Cu matrix composite with a grain size less than 25 nm has been successfully fabricated via a combination of ball milling and high-pressure torsion. CNTs were found to be homogeneously dispersed into the metal matrix, leading to grain refinement with a narrow grain size distribution and significant increase in hardness. (C) 2009 Elsevier B.V. All rights reserved. C1 [Li, Hongqi; Misra, Amit] Los Alamos Natl Lab, Ctr Integrated Nonotechnol, Los Alamos, NM 87545 USA. [Zhu, Yuntian; Koch, Carl C.] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. [Horita, Zenji] Kyushu Univ, Dept Mat Sci & Engn, Fukuoka 8190395, Japan. [Holesinger, Terry G.] Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. RP Li, HQ (reprint author), Los Alamos Natl Lab, Ctr Integrated Nonotechnol, POB 1663, Los Alamos, NM 87545 USA. EM hongqi2007@gmail.com RI Zhu, Yuntian/B-3021-2008; Li, Hongqi/B-6993-2008; Choi, Yoon Jeong/C-6798-2008; Misra, Amit/H-1087-2012; Koch, Carl/B-9101-2008; U-ID, Kyushu/C-5291-2016 OI Zhu, Yuntian/0000-0002-5961-7422; NR 27 TC 45 Z9 46 U1 3 U2 19 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD OCT 15 PY 2009 VL 523 IS 1-2 BP 60 EP 64 DI 10.1016/j.msea.2009.05.031 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 504QT UT WOS:000270632900010 ER PT J AU Talapin, DV Shevchenko, EV Bodnarchuk, MI Ye, XC Chen, J Murray, CB AF Talapin, Dmitri V. Shevchenko, Elena V. Bodnarchuk, Maryna I. Ye, Xingchen Chen, Jun Murray, Christopher B. TI Quasicrystalline order in self-assembled binary nanoparticle superlattices SO NATURE LA English DT Article ID MONODISPERSE NANOCRYSTALS; MODEL; PARTICLES; TILINGS; PHASE AB The discovery of quasicrystals in 1984 changed our view of ordered solids as periodic structures(1,2) and introduced new long-range-ordered phases lacking any translational symmetry(3-5). Quasi-crystals permit symmetry operations forbidden in classical crystallography, for example five-, eight-, ten-and 12-fold rotations, yet have sharp diffraction peaks. Intermetallic compounds have been observed to form both metastable and energetically stabilized quasicrystals(1,3,5); quasicrystalline order has also been reported for the tantalum telluride phase with an approximate Ta(1.6)Te composition(6). Later, quasicrystals were discovered in soft matter, namely supramolecular structures of organic dendrimers(7) and tri-block copolymers(8), and micrometre-sized colloidal spheres have been arranged into quasicrystalline arrays by using intense laser beams that create quasi-periodic optical standing-wave patterns(9). Here we show that colloidal inorganic nanoparticles can self-assemble into binary aperiodic superlattices. We observe formation of assemblies with dodecagonal quasicrystalline order in different binary nanoparticle systems: 13.4-nm Fe(2)O(3) and 5-nm Au nanocrystals, 12.6-nm Fe(3)O(4) and 4.7-nm Au nanocrystals, and 9-nm PbS and 3-nm Pd nanocrystals. Such compositional flexibility indicates that the formation of quasicrystalline nanoparticle assemblies does not require a unique combination of interparticle interactions, but is a general sphere-packing phenomenon governed by the entropy and simple interparticle potentials. We also find that dodecagonal quasicrystalline superlattices can form low-defect interfaces with ordinary crystalline binary superlattices, using fragments of (3(3).4(2)) Archimedean tiling as the 'wetting layer' between the periodic and aperiodic phases. C1 [Talapin, Dmitri V.; Bodnarchuk, Maryna I.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Talapin, Dmitri V.; Shevchenko, Elena V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Ye, Xingchen; Murray, Christopher B.] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA. [Chen, Jun; Murray, Christopher B.] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. RP Talapin, DV (reprint author), Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM dvtalapin@uchicago.edu; eshevchenko@anl.gov RI Chen, Jun/F-7103-2014; Ye, Xingchen/D-3202-2017 OI Ye, Xingchen/0000-0001-6851-2721 FU US National Science Foundation (NSF) [DMR-0847535, DMR-0213745]; Austrian Nanoinitiative; Center for Nanoscale Materials; Argonne National Laboratory; US Department of Energy [DE-AC02-06CH11357] FX We thank S. O'Brien, W. Heiss, A. P. Alivisatos, T. Witten, W. Green and J. Urban for discussions and V. Altoe for help with analytical TEM studies. D. V. T. acknowledges support from the US National Science Foundation (NSF) CAREER Program under award number DMR-0847535 and the NSF MRSEC Program under award number DMR-0213745. M. I. B. acknowledges financial support from the Austrian Nanoinitiative. The work at the Center for Nanoscale Materials, Argonne National Laboratory, was supported by the US Department of Energy under contract number DE-AC02-06CH11357. NR 30 TC 270 Z9 271 U1 21 U2 297 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD OCT 15 PY 2009 VL 461 IS 7266 BP 964 EP 967 DI 10.1038/nature08439 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 506ZF UT WOS:000270817700043 PM 19829378 ER PT J AU Moreira, PAFP Devanathan, R Yu, JG Weber, WJ AF Moreira, Pedro A. F. P. Devanathan, Ram Yu, Jianguo Weber, William J. TI Molecular-dynamics simulation of threshold displacement energies in zircon SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Zircon; Molecular dynamics; Radiation effects; Displacement energy ID WASTE FORMS; ACTINIDES; SILICATE; CRYSTALS; ZRSIO4; DAMAGE; PHASE AB Molecular-dynamics simulations were used to examine the displacement threshold energy (E(d)) surface for Zr, Si and O in zircon using two different interatomic potentials. For each sublattice, the simulation was repeated from different initial conditions to estimate the uncertainty in the calculated value of E(d). The displacement threshold energies vary considerably with crystallographic direction and sublattice. Based on the present simulations and previous experimental studies, this work recommends E(d) values of 75, 75 and 60 eV for Zr, Si and O, respectively. to be used in Monte Carlo simulations of irradiation damage profile in zircon. (C) 2009 Elsevier B.V. All rights reserved C1 [Moreira, Pedro A. F. P.; Devanathan, Ram; Yu, Jianguo; Weber, William J.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Moreira, Pedro A. F. P.] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083970 Campinas, SP, Brazil. RP Devanathan, R (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RI Weber, William/A-4177-2008; Yu, Jianguo/C-3424-2013; Devanathan, Ram/C-7247-2008; Moreira, Pedro /D-1750-2013; Inst. of Physics, Gleb Wataghin/A-9780-2017; Moreira, Pedro/E-1086-2012 OI Weber, William/0000-0002-9017-7365; Yu, Jianguo/0000-0001-5604-8132; Devanathan, Ram/0000-0001-8125-4237; Moreira, Pedro /0000-0003-0975-6034; Moreira, Pedro/0000-0003-2843-775X FU Materials Sciences and Engineering Division, Office of Basic Energy Sciences (BES); US Department of Energy (DOE) [DE-AC05-76RL01830]; CNPq (Conselho Nacional de Desenvolvimento Cientifico e Tecnologico), Brazil FX This work was funded by the Materials Sciences and Engineering Division, Office of Basic Energy Sciences (BES), US Department of Energy (DOE) under Contract No. DE-AC05-76RL01830. The computations were performed using resources of the EMSL, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory. P. A. F. P. M. acknowledges CNPq (Conselho Nacional de Desenvolvimento Cientifico e Tecnologico), Brazil, for a fellowship. JY was partly supported by a DOE BES Computational Materials Science Network Cooperative Research Team grant. NR 25 TC 14 Z9 15 U1 2 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD OCT 15 PY 2009 VL 267 IS 20 BP 3431 EP 3436 DI 10.1016/j.nimb.2009.07.023 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 512MA UT WOS:000271252300007 ER PT J AU Wilcox, R Byrd, JM Doolittle, L Huang, G Staples, JW AF Wilcox, Russell Byrd, J. M. Doolittle, Lawrence Huang, Gang Staples, J. W. TI Stable transmission of radio frequency signals on fiber links using interferometric delay sensing SO OPTICS LETTERS LA English DT Article ID OPTICAL FREQUENCY; DIODE-LASER; STABILITY; SYNCHRONIZATION AB We demonstrate distribution of a 2850 MHz rf signal over stabilized optical fiber links. For a 2.2 km link we measure an rms drift of 19.4 fs over 60 h, and for a 200 m link an rms drift of 8.4 fs over 20 h. The rf signals are transmitted as amplitude modulation on a continuous optical carrier. Variations in the delay length are sensed using heterodyne interferometry and used to correct the rf phase. The system uses standard fiber telecommunications components. (C) 2009 Optical Society of America C1 [Wilcox, Russell; Byrd, J. M.; Doolittle, Lawrence; Huang, Gang; Staples, J. W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Byrd, JM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM JMByrd@lbl.gov RI Huang, Gang/I-7772-2013 FU U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy under contract DE-AC02-05CH11231. NR 11 TC 38 Z9 39 U1 0 U2 4 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD OCT 15 PY 2009 VL 34 IS 20 BP 3050 EP 3052 PG 3 WC Optics SC Optics GA 514DM UT WOS:000271374500002 PM 19838222 ER PT J AU Li, JS Han, S Zhang, S Bartal, G Zhang, X AF Li, Jensen Han, Seunghoon Zhang, Shuang Bartal, Guy Zhang, Xiang TI Designing the Fourier space with transformation optics SO OPTICS LETTERS LA English DT Article ID HYPERLENS; LIGHT; FIELD AB We show that transformation optics can be applied to extend the functionalities of conventional optical devices. In particular, geometrically compressing the input facet of any conventional optical elements can extend the input spatial frequency bandwidth. As an example, we design a Fourier lens that can transform the image to its reciprocal space and operate for incident light of subwavelength profile. An explicit design employing metal-dielectric layers is given for realization. (C) 2009 Optical Society of America C1 [Li, Jensen; Han, Seunghoon; Zhang, Shuang; Bartal, Guy; Zhang, Xiang] Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, Berkeley, CA 94720 USA. [Zhang, Xiang] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zhang, X (reprint author), Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, 3112 Etcheverry Hall, Berkeley, CA 94720 USA. EM xiang@berkeley.edu RI Zhang, Xiang/F-6905-2011; OI Li, Jensen/0000-0002-2099-8942 FU U.S. Army Research Office (ARO) MURI program [50432PH-MUR]; National Science Foundation Nano-scale Science and Engineering Center (NSFNSEC) [CMMI-0751621] FX We acknowledge financial support from the U.S. Army Research Office (ARO) MURI program 50432PH-MUR and the National Science Foundation Nano-scale Science and Engineering Center (NSFNSEC) under award CMMI-0751621. NR 19 TC 11 Z9 11 U1 2 U2 7 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 EI 1539-4794 J9 OPT LETT JI Opt. Lett. PD OCT 15 PY 2009 VL 34 IS 20 BP 3128 EP 3130 PG 3 WC Optics SC Optics GA 514DM UT WOS:000271374500028 PM 19838248 ER PT J AU Farahi, RH Passian, A Jones, YK Tetard, L Lereu, AL Thundat, TG AF Farahi, R. H. Passian, A. Jones, Y. K. Tetard, L. Lereu, A. L. Thundat, T. G. TI Laser reflectometry of submegahertz liquid meniscus ringing SO OPTICS LETTERS LA English DT Article ID MARANGONI FORCES AB Optical techniques that permit nondestructive probing of interfacial dynamics of various media are of key importance in numerous applications such as ellipsometry, mirage effect, and all-optical switching. Characterization of the various phases of microjet droplet formation yields important information for volume control, uniformity, velocity, and rate. The ringing of the meniscus and the associated relaxation time that occurs after droplet breakoff affect subsequent drop formation and is an indicator of the physical properties of the fluid. Using laser reflectometry, we present an analysis of the meniscus oscillations in an orifice of a piezoelectric microjet. (C) 2009 Optical Society of America C1 [Farahi, R. H.; Passian, A.; Tetard, L.; Lereu, A. L.; Thundat, T. G.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Farahi, R. H.; Passian, A.; Tetard, L.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. [Jones, Y. K.] Alcorn State Univ, Alcorn, MS 39096 USA. RP Farahi, RH (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM farahirh@ornl.gov RI Lereu, Aude/P-6414-2016 OI Lereu, Aude/0000-0001-7390-7832 FU Department of Energy's of Oak Ridge National Laboratory (ORNL); Oak Ridge National Laboratory, Oak Ridge, Tennessee [37831-6123]; UT-Battelle, LLC for the Department of Energy [DEAC05-0096OR22725] FX This research was supported by the Department of Homeland Security-sponsored Southeast Region Research Initiative (SERRI) at the Department of Energy's Oak Ridge National Laboratory (ORNL). Oak Ridge National Laboratory, Oak Ridge, Tennessee, 37831-6123, is managed by UT-Battelle, LLC for the Department of Energy under contract number DEAC05-0096OR22725. NR 7 TC 3 Z9 3 U1 0 U2 3 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD OCT 15 PY 2009 VL 34 IS 20 BP 3148 EP 3150 PG 3 WC Optics SC Optics GA 514DM UT WOS:000271374500035 PM 19838255 ER PT J AU Maple, MB Baumbach, RE Hamlin, JJ Zocco, DA Taylor, BJ Butch, NP Jeffries, JR Weir, ST Sales, BC Mandrus, D McGuire, MA Sefat, AS Jin, R Vohra, YK Chu, JH Fisher, IR AF Maple, M. B. Baumbach, R. E. Hamlin, J. J. Zocco, D. A. Taylor, B. J. Butch, N. P. Jeffries, J. R. Weir, S. T. Sales, B. C. Mandrus, D. McGuire, M. A. Sefat, A. S. Jin, R. Vohra, Y. K. Chu, J. -H. Fisher, I. R. TI New correlated electron physics from new materials SO PHYSICA B-CONDENSED MATTER LA English DT Article ID LAYERED QUATERNARY COMPOUND; ZRCUSIAS TYPE-STRUCTURE; FERMI-LIQUID BEHAVIOR; SUPERCONDUCTIVITY; FERROMAGNETISM; COEXISTENCE; URU2SI2; SYSTEM; URHGE; UGE2 AB Many important advances in the physics of strongly correlated electron systems have been driven by the development of new materials: for instance the filled skutterudites MT(4)X(12) (M = alkali metal, alkaline earth, lanthanide, or actinide; T = Fe, Ru, or Os; X = P, As. or Sb), certain lanthanide and actinide intermetallic compounds such as URu(2-x)Re(x)Si(2) and CeTIn(5) (T = Co, Rh, or Ir), and layered oxypnictides and related materials. These types of complex multinary d- and f-electron compounds have proven to be a vast reservoir of novel strongly correlated electron ground states and phenomena. In these materials, the occurrence of such a wide range of ground states and phenomena arises from a delicate interplay between competing interactions that can be tuned by partial or complete substitution of one element for another, as well as the application of pressure, and magnetic fields, resulting in rich and complex electronic phase diagrams in the hyperspace of temperature, chemical composition, pressure and magnetic field. It seems clear that this type of "materials driven physics" will continue to play a central role in the development of the field of strongly correlated electron systems in the future, through the discovery of new materials that exhibit unexpected phenomena and experiments on known materials in an effort to optimize their physical properties and test relevant theories. (C) 2009 Elsevier B.V. All rights reserved. C1 [Maple, M. B.; Baumbach, R. E.; Hamlin, J. J.; Zocco, D. A.; Taylor, B. J.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Butch, N. P.] Univ Maryland, Ctr Nanophys & Adv Mat, College Pk, MD 20742 USA. [Maple, M. B.; Baumbach, R. E.; Hamlin, J. J.; Zocco, D. A.; Taylor, B. J.] Univ Calif San Diego, Inst Pure & Appl Phys Sci, La Jolla, CA 92093 USA. [Jeffries, J. R.; Weir, S. T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Sales, B. C.; Mandrus, D.; McGuire, M. A.; Sefat, A. S.; Jin, R.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Vohra, Y. K.] Univ Alabama, Dept Phys, Birmingham, AL 35294 USA. [Chu, J. -H.; Fisher, I. R.] Stanford Univ, Dept Appl Phys, Geballe Lab Adv Mat, Stanford, CA 94305 USA. RP Maple, MB (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. EM mbmaple@ucsd.edu RI McGuire, Michael/B-5453-2009; Baumbach, Ryan/C-5528-2012; Weir, Samuel/H-5046-2012; Mandrus, David/H-3090-2014; Zocco, Diego/O-3440-2014; Sefat, Athena/R-5457-2016 OI McGuire, Michael/0000-0003-1762-9406; Sefat, Athena/0000-0002-5596-3504 FU US Department of Energy (DOE) [DE FG02-04ER46105, DE-AC02-76SF00515]; National Science Foundation (NSF) [0802478] FX At UCSD, crystal growth work was supported by the US Department of Energy (DOE) under research Grant DE FG02-04ER46105 and low temperature measurements were funded by the National Science Foundation (NSF) under Grant 0802478. Work at Stanford University was supported by the Department of Energy, Office of Basic Energy Sciences under contract DE-AC02-76SF00515. NR 51 TC 15 Z9 15 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD OCT 15 PY 2009 VL 404 IS 19 BP 2924 EP 2929 DI 10.1016/j.physb.2009.07.141 PG 6 WC Physics, Condensed Matter SC Physics GA 513XL UT WOS:000271357300011 ER PT J AU Holanda, LM Duque, JGS Bittar, EM Adriano, C Pagliuso, PG Rettori, C Hu, RW Petrovic, C Maquilon, S Fisk, Z Huber, DL Oseroff, SB AF Holanda, L. M. Duque, J. G. S. Bittar, E. M. Adriano, C. Pagliuso, P. G. Rettori, C. Hu, R. W. Petrovic, C. Maquilon, S. Fisk, Z. Huber, D. L. Oseroff, S. B. TI Field-dependent collective ESR mode in YbRh2Si2 SO PHYSICA B-CONDENSED MATTER LA English DT Article DE Heavy fermions; YbRh2Si2; Electron spin resonance (ESR) ID ELECTRON-SPIN-RESONANCE; EXCHANGE-COUPLED SYSTEMS; QUANTUM CRITICAL-POINT; INTERMETALLIC COMPOUNDS; PARAMAGNETIC-RESONANCE; UNLIKE SPINS; METALS; ABSORPTION AB Electron spin resonance (ESR) experiments in YbRh2Si2 Kondo lattice (T-K similar or equal to 25 K) at different field/frequencies (4.1 <= v <= 34.4 GHz) and H-perpendicular to c revealed: (i) a strong field dependent Yb3+ spin-lattice relaxation, (ii) a weak field and T-dependent effective g-value, (iii) a suppression of the ESR intensity beyond 15% of Lu-doping, and (iv) a strong sample and Lu-doping (<= 15%) dependence of the ESR data. These results suggest that the ESR signal in YbRh2Si2 may be due to a coupled Yb3+-conduction electron resonant collective mode with a subtle field-dependent spins dynamic. (C) 2009 Elsevier B.V. All rights reserved. C1 [Holanda, L. M.; Duque, J. G. S.; Bittar, E. M.; Adriano, C.; Pagliuso, P. G.; Rettori, C.] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083970 Campinas, SP, Brazil. [Hu, R. W.; Petrovic, C.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Maquilon, S.] Univ Calif Davis, Dept Phys, Davis, CA 95617 USA. [Huber, D. L.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Fisk, Z.] Univ Calif Irvine, Irvine, CA 92697 USA. [Oseroff, S. B.] San Diego State Univ, San Diego, CA 92182 USA. RP Rettori, C (reprint author), Univ Estadual Campinas, Inst Fis Gleb Wataghin, CP 6165, BR-13083970 Campinas, SP, Brazil. EM rettori@ifi.unicamp.br RI Rettori, Carlos/C-3966-2012; Pagliuso, Pascoal/C-9169-2012; Hu, Rongwei/E-7128-2012; Bittar, Eduardo/B-6266-2008; Petrovic, Cedomir/A-8789-2009; Inst. of Physics, Gleb Wataghin/A-9780-2017 OI Rettori, Carlos/0000-0001-6692-7915; Bittar, Eduardo/0000-0002-2762-1312; Petrovic, Cedomir/0000-0001-6063-1881; FU FAPESP; CNPq (Brazil); NSF (USA) FX We thank FAPESP and CNPq (Brazil) and NSF (USA) for financial support; and P. Coleman, E. Miranda, D.J. Garcia and M. Continentino for fruitful discussions. NR 44 TC 4 Z9 4 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 EI 1873-2135 J9 PHYSICA B JI Physica B PD OCT 15 PY 2009 VL 404 IS 19 BP 2964 EP 2968 DI 10.1016/j.physb.2009.07.024 PG 5 WC Physics, Condensed Matter SC Physics GA 513XL UT WOS:000271357300020 ER PT J AU Sondezi-Mhlungu, BM Adroja, DT Strydom, AM Paschen, S Goremychkin, EA AF Sondezi-Mhlungu, B. M. Adroja, D. T. Strydom, A. M. Paschen, S. Goremychkin, E. A. TI Crystal electric field excitations in ferromagnetic CeTX compounds SO PHYSICA B-CONDENSED MATTER LA English DT Article DE Strongly correlated electrons; Crystal field excitations; Specific heat; Inelastic neutron scattering ID MAGNETIC-PROPERTIES; CECUSI; CEAUGE AB A ferromagnetic ground state was identified for the compounds CeCuGe (T(C) = 10 K), CeCuSi (T(C) = 15 K) [F. Yang, et al., J. Appl. Phys. 69 (1991) 4705] and CeAuGe (T(C) = 10 K) [R. Pottgen, J. Magn. Magn. Mater. 152 (1996) 196]. The observed saturation magnetic moment values at low temperatures for all three compounds are considerably less than the theoretically expected value g(j)J = 2.14 mu(B) for the free Ce(3+) ion involving the entire six-fold J = 5/2 multiplet, and thus provide a first indication of partial lifting of the f-electron level degeneracy in these compounds. Specific heat data yield crystal electric field (CEF) excitation energies (Delta(Sch)) equivalent to 140 K for CeCuGe, 110 K for CeCuSi and 280 K for CeAuCe. To confirm the presence of CEF excitations directly, we have carried out inelastic neutron scattering (INS) measurements on all three compounds, using the HET spectrometer at ISIS Facility. Here, we present a detailed analysis of the INS spectra of CeCuSi on the basis of a CEF model and the detailed analysis of the INS of the other two compounds will be reported elsewhere. (C) 2009 Published by Elsevier B.V. C1 [Sondezi-Mhlungu, B. M.; Strydom, A. M.] Univ Johannesburg, Dept Phys, ZA-2006 Auckland Pk, South Africa. [Adroja, D. T.; Goremychkin, E. A.] STFC Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England. [Paschen, S.] TU Wien, IFP, A-1040 Vienna, Austria. [Goremychkin, E. A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Sondezi-Mhlungu, BM (reprint author), Univ Johannesburg, Dept Phys, POB 524, ZA-2006 Auckland Pk, South Africa. EM bmhlungu@uj.ac.za RI Paschen, Silke/C-3841-2014 OI Paschen, Silke/0000-0002-3796-0713 FU University of Johannesburg Research Committee; SA National Research Foundation [2072956] FX A.M. Strydom thanks the University of Johannesburg Research Committee and the SA National Research Foundation, Grant no. 2072956, for financial support. NR 9 TC 8 Z9 8 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD OCT 15 PY 2009 VL 404 IS 19 BP 3032 EP 3034 DI 10.1016/j.physb.2009.07.014 PG 3 WC Physics, Condensed Matter SC Physics GA 513XL UT WOS:000271357300040 ER PT J AU Vargas, JM Garcia, FA Rettori, C Garcia, DJ Sales, B Schlottmann, P Oseroff, SB AF Vargas, J. M. Garcia, F. A. Rettori, C. Garcia, D. J. Sales, B. Schlottmann, P. Oseroff, S. B. TI The g-value of Er3+ doped unfilled skutterudite CoSb3 (T-h) reveals the existence of an additional sixth order term in the crystal field Hamiltonian SO PHYSICA B-CONDENSED MATTER LA English DT Article DE Filled skutterudite; Antimonides; CoSb3; Rare-earth metal ID ELECTRIC-FIELDS AB Electron spin resonance (ESR) experiments have been carried out in single crystals of the unfilled skutterudite CoSb3 doped with Er ions. The X- (9.5 GHz) and Q- (34.4 GHz) band spectra obtained at low temperature (4-20 K) shown a temperature independent g-value of 6.21(5). This g-value can only be explained with the addition of a second sixth order B-6(1)(O-6(2) - O-6(6)) term to the usual cubic crystal field Hamiltonian. The ESR of Er3+ show the typical temperature dependence of the line-shape and line-width expected for insulating host. (C) 2009 Elsevier B.V. All rights reserved. C1 [Vargas, J. M.; Garcia, F. A.; Rettori, C.] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083970 Campinas, SP, Brazil. [Garcia, D. J.] Consejo Nacl Invest Cient & Tecn, San Carlos De Bariloche, RN, Argentina. [Garcia, D. J.] Ctr Atom Bariloche, San Carlos De Bariloche, RN, Argentina. [Sales, B.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Schlottmann, P.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [Oseroff, S. B.] San Diego State Univ, San Diego, CA 92182 USA. RP Rettori, C (reprint author), Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083970 Campinas, SP, Brazil. EM rettori@ifi.unicamp.br RI Rettori, Carlos/C-3966-2012; Garcia, Fernando/B-3800-2013; Schlottmann, Pedro/G-1579-2013; Inst. of Physics, Gleb Wataghin/A-9780-2017; OI Rettori, Carlos/0000-0001-6692-7915; Garcia, Fernando/0000-0001-5694-640X; Garcia, Daniel Julio/0000-0001-6777-9184 FU FAPESP; CNPq, Brazil; Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy FX The work at UNICAMP was supported by FAPESP and CNPq, Brazil. Research at ORNL sponsored by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy. NR 12 TC 1 Z9 1 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD OCT 15 PY 2009 VL 404 IS 19 BP 3035 EP 3037 DI 10.1016/j.physb.2009.07.012 PG 3 WC Physics, Condensed Matter SC Physics GA 513XL UT WOS:000271357300041 ER PT J AU Thorsmolle, VK Averitt, RD Demsar, J Smith, DL Tretiak, S Martin, RL Chi, X Crone, BK Ramirez, AP Taylor, AJ AF Thorsmolle, V. K. Averitt, R. D. Demsar, J. Smith, D. L. Tretiak, S. Martin, R. L. Chi, X. Crone, B. K. Ramirez, A. P. Taylor, A. J. TI Photoexcited carrier relaxation dynamics in pentacene probed by ultrafast optical spectroscopy: Influence of morphology on relaxation processes SO PHYSICA B-CONDENSED MATTER LA English DT Article DE Ultrafast spectroscopy; Organic semiconductors; Sample morphology ID EXCITON DYNAMICS; CHARGE-TRANSFER; LOW-COST; POLYMERS; FILMS; CELLS AB We present a comparative study of ultrafast photoexcited state relaxation in pentacene single crystals and in pure and C(60)-doped pentacene films using optical pump-probe spectroscopy. The photoinduced absorption spectra in pentacene crystals is consistent with a dominant singlet-triplet fission decay channel for above-gap excitation. This decay channel is suppressed in thin films and even further suppressed by electron trapping in C60-doped films. Thus we show that suppression of triplet state production, which is necessary for free carrier formation and thus photovoltaic and photodiode performance, is controllable via sample morphology. (C) 2009 Elsevier B.V. All rights reserved. C1 [Thorsmolle, V. K.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Thorsmolle, V. K.; Averitt, R. D.; Demsar, J.; Smith, D. L.; Tretiak, S.; Martin, R. L.; Chi, X.; Crone, B. K.; Ramirez, A. P.; Taylor, A. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Averitt, R. D.] Boston Univ, Boston, MA 02215 USA. [Demsar, J.] Univ Konstanz, Dept Phys, D-78457 Constance, Germany. [Demsar, J.] Univ Konstanz, Ctr Appl Photon, D-78457 Constance, Germany. [Demsar, J.] Jozef Stefan Inst, Dept Complex Matter, Ljubljana, Slovenia. [Chi, X.] Texas A&M Univ Kingsville, Kingsville, TX 78363 USA. [Ramirez, A. P.] Bell Labs, Alcatel Lucent, Murray Hill, NJ 07974 USA. RP Thorsmolle, VK (reprint author), Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. EM verner.thorsmolle@epfl.ch RI Tretiak, Sergei/B-5556-2009; Thorsmolle, Verner/M-1095-2015; Demsar, Jure/B-5578-2008; Demsar, Jure/F-7243-2016 OI Tretiak, Sergei/0000-0001-5547-3647; Thorsmolle, Verner/0000-0002-5890-4403; Demsar, Jure/0000-0003-4551-7444; FU Laboratory Directed Research and Development program at Los Alamos National Laboratory, the Department of Energy (DOE) Center for Integrated Nanotechnologies; DOE [DE-FG02-04ER46118] FX This work was supported by the Laboratory Directed Research and Development program at Los Alamos National Laboratory, the Department of Energy (DOE) Center for Integrated Nanotechnologies, and DOE Grant no. DE-FG02-04ER46118. We are grateful to Michael Grdtzel, Majed Chergui, Christoph Gadermaier, Thomas Dekorsy and Alfred Leitenstorfer for valuable comments. NR 30 TC 14 Z9 14 U1 2 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD OCT 15 PY 2009 VL 404 IS 19 BP 3127 EP 3130 DI 10.1016/j.physb.2009.07.063 PG 4 WC Physics, Condensed Matter SC Physics GA 513XL UT WOS:000271357300065 ER PT J AU Szabo, P Pribulova, Z Pristas, G Bud'ko, SL Canfield, PC Samuely, P AF Szabo, P. Pribulova, Z. Pristas, G. Bud'ko, S. L. Canfield, P. C. Samuely, P. TI Two gap superconductivity in Ba0.55K0.45Fe2As2 single crystals studied by the directional point-contact Andreev reflection spectroscopy SO PHYSICA B-CONDENSED MATTER LA English DT Article AB First directional point-contact Andreev reflection spectroscopy on the Ba0.55K0.45Fe2As2 single crystals is presented. The spectra show significant differences when measured in the ab plane in comparison with those measured in the c direction. In the latter case no traces of superconducting energy gap could be found, just a reduced point-contact conductance persisting up to about 100 K and indicating reduced density of states. On the other hand within the ab plane two nodeless superconducting energy gaps Delta(s) approximate to 2-5 meV and Delta(L) approximate to 9-11 meV are detected. (C) 2009 Elsevier B.V. All rights reserved. C1 [Szabo, P.; Pribulova, Z.; Samuely, P.] IEP Slovak Acad Sci, Ctr Low Temp Phys, SK-04001 Kosice, Slovakia. [Szabo, P.; Pribulova, Z.; Samuely, P.] Safarik Univ, SK-04001 Kosice, Slovakia. [Pristas, G.; Bud'ko, S. L.; Canfield, P. C.] Ames Lab, Ames, IA 50011 USA. [Pristas, G.; Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, Ames, IA 50011 USA. RP Samuely, P (reprint author), IEP Slovak Acad Sci, Ctr Low Temp Phys, Watsonova 47, SK-04001 Kosice, Slovakia. EM samuely@saske.sk RI Canfield, Paul/H-2698-2014 FU Slovak Research and Development Agency [VVCE-0058-07, APVV-0346-07, LPP-0101-06]; EC [MTKD-CT-2005-030002]; Department of Energy-Basic Energy Sciences [DE-AC02-07CH11358] FX This work has been supported by the Slovak Research and Development Agency under the Contract nos. VVCE-0058-07, APVV-0346-07 and LPP-0101-06 and by the EC Framework Programme MTKD-CT-2005-030002. Centre of Low Temperature Physics is operated as the Centre of Excellence of the Slovak Academy of Sciences. The liquid nitrogen for the experiment has been sponsored by the U.S. Steel Kosice, s.r.o. Work at the Ames Laboratory was supported by the Department of Energy-Basic Energy Sciences under Contract no. DE-AC02-07CH11358. NR 22 TC 1 Z9 1 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD OCT 15 PY 2009 VL 404 IS 19 BP 3220 EP 3222 DI 10.1016/j.physb.2009.07.108 PG 3 WC Physics, Condensed Matter SC Physics GA 513XL UT WOS:000271357300088 ER PT J AU Torikachvili, MS Bud'ko, SL Ni, N Canfield, PC AF Torikachvili, M. S. Bud'ko, S. L. Ni, Ni Canfield, P. C. TI Hydrostatic pressure study of the structural phase transitions and superconductivity in single crystals of (Ba1-xKx)Fe2As2 (x=0 and 0.45) and CaFe2As2 SO PHYSICA B-CONDENSED MATTER LA English DT Article DE Arsenides; Superconductivity; H-c2; Pressure effects ID 43 K AB We studied the effect of hydrostatic pressure (P) on the structural phase transitions and superconductivity in the ternary and pseudo-ternary iron arsenides CaFe2As2, BaFe2As2, and (Ba0.55K0.45)Fe2As2, by means of measurements of electrical resistivity (rho) in the 1.8-300 K temperature (T) range, pressures up to 20 kbar, and magnetic fields up to 9 T. CaFe2As2 and BaFe2As2 (lightly doped with Sn) display structural phase transitions near 170 and 85 K, respectively, and do not exhibit superconductivity in ambient pressure, while K-doped (Ba0.55K0.45)Fe2As2 is superconducting for T<30 K. The effect of pressure on BaFe2As2 is to shift the onset of the crystallographic transformation down in temperature at the rate of similar to-1.04 K/kbar, while shifting the whole rho(T) curves downward, whereas its effect on superconducting (Ba0.55K0.45)Fe2As2 is to shift the onset of superconductivity to lower temperatures at the rate of similar to-0.21 K/kbar. The effect of pressure on CaFe2As2 is first to suppress the crystallographic transformation and induce superconductivity with onset near 12 K very rapidly, i.e., for P<5kbar. However, higher pressures bring about another phase transformation characterized by reduced-resistivity, and the suppression of superconductivity, confining superconductivity to a narrow pressure dome centered near 5 kbar. Upper critical field (H-c2) data in (Ba0.55K0.45)Fe2As2 and CaFe2As2 are discussed. (C) 2009 Elsevier B.V. All rights reserved. C1 [Torikachvili, M. S.] San Diego State Univ, Dept Phys, San Diego, CA 92182 USA. [Bud'ko, S. L.; Ni, Ni; Canfield, P. C.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Bud'ko, S. L.; Ni, Ni; Canfield, P. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Torikachvili, MS (reprint author), San Diego State Univ, Dept Phys, San Diego, CA 92182 USA. EM milton@sciences.sdsu.edu RI Canfield, Paul/H-2698-2014 FU National Science Foundation [DMR-0306165, DMR0805335]; US Department of Energy-Basic Energy Sciences [DE-AC02-07CH11358] FX MST gratefully acknowledges support from the National Science Foundation under Grants no. DMR-0306165 and DMR0805335. Work at the Ames Laboratory was supported by the US Department of Energy-Basic Energy Sciences under Contract no. DE-AC02-07CH11358. NR 19 TC 1 Z9 1 U1 1 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD OCT 15 PY 2009 VL 404 IS 19 BP 3223 EP 3226 DI 10.1016/j.physb.2009.07.117 PG 4 WC Physics, Condensed Matter SC Physics GA 513XL UT WOS:000271357300089 ER PT J AU Walker, HC Ewings, RA Fabrizi, F Mannix, D Mazzoli, C Wilkins, SB Paolasini, L Prabhakaran, D Boothroyd, AT McMorrow, DF AF Walker, H. C. Ewings, R. A. Fabrizi, F. Mannix, D. Mazzoli, C. Wilkins, S. B. Paolasini, L. Prabhakaran, D. Boothroyd, A. T. McMorrow, D. F. TI X-ray resonant scattering study of the magnetic phase diagram of multiferroic TbMnO3 SO PHYSICA B-CONDENSED MATTER LA English DT Article DE TbMnO3; X-ray resonant scattering; Magnetoelectric multiferroics AB We present the magnetic phase diagram of multiferroic TbMnO3 for H parallel to b determined using X-ray resonant scattering at the Tb L-3-edge. Investigations of two different magnetic domains, C-type and F-type, demonstrate very similar behaviour in high applied magnetic fields, with a low temperature incommensurate to commensurate transition at H similar or equal to 4.5T, concurrent with the polarisation flop observed in bulk magnetoelectric measurements. (C) 2009 Elsevier B.V. All rights reserved. C1 [Walker, H. C.; McMorrow, D. F.] UCL, London Ctr Nanotechnol, London WC1E 6BT, England. [Walker, H. C.; McMorrow, D. F.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Ewings, R. A.; Prabhakaran, D.; Boothroyd, A. T.] Univ Oxford, Dept Phys, Oxford OX1 3PU, England. [Mannix, D.] European Synchrotron Radiat Facil, XMaS CRG Beamline, F-38043 Grenoble 9, France. [Wilkins, S. B.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Walker, HC (reprint author), European Synchrotron Radiat Facil, XMaS CRG Beamline, Boite Postale 220, F-38043 Grenoble 9, France. EM helen.walker@esrf.fr RI McMorrow, Desmond/C-2655-2008; Walker, Helen/C-4201-2011; Mazzoli, Claudio/J-4360-2012; OI McMorrow, Desmond/0000-0002-4947-7788; Walker, Helen/0000-0002-7859-5388; Mannix, Danny/0000-0002-7346-6894 NR 18 TC 3 Z9 3 U1 0 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD OCT 15 PY 2009 VL 404 IS 19 BP 3264 EP 3266 DI 10.1016/j.physb.2009.07.085 PG 3 WC Physics, Condensed Matter SC Physics GA 513XL UT WOS:000271357300100 ER PT J AU Windisch, CF Thallapally, PK McGrail, BP AF Windisch, Charles F., Jr. Thallapally, Praveen K. McGrail, B. Peter TI Adsorption of CO2 on CO3II[Co-III(CN)(6)](2) using DRIFTS SO SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY LA English DT Article DE Carbon dioxide; Adsorption; Prussian blue; DRIFTS; Infrared spectroscopy; Reflectance spectroscopy ID METAL-ORGANIC FRAMEWORKS; PRUSSIAN BLUE ANALOGS; CARBON-DIOXIDE ADSORPTION; SUPERCRITICAL CONDITIONS; HYDROGEN STORAGE; SPECTRA; MICROPOROSITY; SPECTROSCOPY; ISOTHERMS; CAPACITY AB Adsorption Of CO2 on dehydrated Prussian blue analogue Co-3(II) [Co-III(CN)(6)](2) was studied using diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). An infrared peak at 2340 cm(-1) assigned to adsorbed CO2 was identified and used semi-quantitatively to construct an isotherm at 298 K that followed the Langmuir-Freundlich equation in the low-coverage Henry's law limit with CO2 pressure below about 25 kPa. Temperature-dependence at 6.8 kPa CO2 was used to determine Delta H-ad = -23 +/- 3 kJ mol(-1), in this limit as well. Deviation from the Langmuir-Freundlich model was significant at temperatures above 298 K and attributed primarily to a loss of reliability of the DRIFT spectra at higher CO2 pressures, particularly at higher temperatures, and the accompanying uncertainties in the difference spectra when correcting for the presence of gaseous CO2. Based on this work, the application of DRIFTS to study CO2 adsorption on Prussian blue analogues and other adsorbents is promising, although the range of conditions over which it can be applied appears to be more limited than with other techniques. (C) 2009 Elsevier B.V. All rights reserved. C1 [Windisch, Charles F., Jr.; Thallapally, Praveen K.; McGrail, B. Peter] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Windisch, CF (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM cf.windisch@pnl.gov RI thallapally, praveen/I-5026-2014 OI thallapally, praveen/0000-0001-7814-4467 FU U.S. Department of Energy, Office of Fossil Energy FX This work was supported by the U.S. Department of Energy, Office of Fossil Energy. The Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy under Contract DE-AC05-76RL01830. NR 38 TC 12 Z9 12 U1 2 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1386-1425 J9 SPECTROCHIM ACTA A JI Spectroc. Acta Pt. A-Molec. Biomolec. Spectr. PD OCT 15 PY 2009 VL 74 IS 3 BP 629 EP 634 DI 10.1016/j.saa.2009.07.004 PG 6 WC Spectroscopy SC Spectroscopy GA 509VX UT WOS:000271048300005 PM 19651535 ER PT J AU Park, KT Meunier, V Pan, MH Shelton, WA Yu, NH Plummer, EW AF Park, K. T. Meunier, V. Pan, M. H. Shelton, W. A. Yu, N. -H. Plummer, E. W. TI Nanoclusters of TiO2 wetted with gold SO SURFACE SCIENCE LA English DT Article DE Density functional calculations; Scanning tunneling microscopy; Surface structure, morphology, roughness and topography; Chemisorption; Titanium oxide; Gold; Carbon monoxide ID GENERALIZED GRADIENT APPROXIMATION; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; CATALYTIC-ACTIVITY; SUPPORTED GOLD; BASIS-SET; TIO2(110); NANOPARTICLES; OXIDATION; MOLECULES AB We combined scanning tunneling microscopy and density functional theory to establish the structure-functionality relationship for nanometer-sized defects on TiO2(1 1 0). Three-angstrom high topographically distinct dots are ascribed to stoichiometric TiO2 nanoclusters with low coordination numbers. The under-coordinated O atoms of the nanocluster, with surface O atoms, provide exceptionally strong binding sites for Au nanoparticles. Our atomistic model elucidates a number of characteristics salient to low temperature CO oxidation by Au nanoparticles. (C) 2009 Elsevier B.V. All rights reserved. C1 [Park, K. T.; Yu, N. -H.] Baylor Univ, Dept Phys, Waco, TX 76798 USA. [Meunier, V.; Pan, M. H.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Meunier, V.; Shelton, W. A.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Plummer, E. W.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. RP Park, KT (reprint author), Baylor Univ, Dept Phys, Waco, TX 76798 USA. EM Kenneth_Park@baylor.edu RI Meunier, Vincent/F-9391-2010 OI Meunier, Vincent/0000-0002-7013-179X FU Scientific User Facilities Division; Division of Materials Science [DE AC05-00OR22725]; Department of Energy FX This research was sponsored by the Scientific User Facilities Division and also by the Division of Materials Science (DE AC05-00OR22725 contracted with UT-Battelle, LLC), Department of Energy. The computations were performed using the resources of the National Center for Computational Sciences at ORNL. NR 29 TC 7 Z9 7 U1 0 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD OCT 15 PY 2009 VL 603 IS 20 BP 3131 EP 3135 DI 10.1016/j.susc.2009.08.028 PG 5 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 511PV UT WOS:000271179600015 ER PT J AU Scognamiglio, L Hutchings, L AF Scognamiglio, Laura Hutchings, Lawrence TI A test of a physically-based strong ground motion prediction methodology with the 26 September 1997, M-w=6.0 Colfiorito (Umbria-Marche sequence), Italy earthquake SO TECTONOPHYSICS LA English DT Article; Proceedings Paper CT Conference on Ten Years after the Umbria-Marche Earthquake CY JUN 26-27, 2007 CL Camerino, ITALY DE Empirical Green's functions; Strong ground motion prediction; 1997, M-w 6.0, Umbria-Marche Earthquake; Physically-based ground motion synthesis ID MODELING COSEISMIC DISPLACEMENTS; EMPIRICAL GREENS-FUNCTIONS; RUPTURE DIRECTIVITY; TIME HISTORIES; MAIN SHOCKS; AFTERSHOCKS; VALIDATION; MAINSHOCK; GPS AB We test the physically-based ground motion hazard prediction methodology of Hutchings et al [Hutchings, L. loannidou. E. Kalogeras. I. Voulgans. N., Savy, J. Foxall. W, Scognamigho, L, and Stavrakakis, G, (2007) A physically-based strong ground motion prediction methodology: Application to PSHA and the 1999 M=6.0 Athens Earthquake Geophys J Int 168, 569-680] through an a posteriori prediction of the 26 September 1997, M-w 6.0 Colfiorito (Umbria-Marche, Italy) earthquake at four stations By "physically-based" we refer to ground motion synthesized with quasi-dynamic rupture models derived front physics and an understanding of the earthquake process We test five hypotheses proposed by Hutchings et al. [Hutchings, I., loannidou, E., Kalogeras, I, Voulgaris, N., Savy. J, Foxall. W.. Scognamigho. L and Stavrakakis. G., (2007). A physically-based strong ground motion prediction methodology. Application to PSHA and the 1999 M=60 Athens Earthquake Geophys J Int 168, 569-680 1 that support application of the methodology to physically-based probabilistic seismic hazard or risk analysis. We use two methods to test the hypotheses First, we test whether observed records fall within the 68% log-normal confidence interval for the distribution of absolute acceleration response (AAR), pseudo velocity response (PSV), and Fourier amplitude spectra (FFT) created by a suite of source models We also used the godness of fit between synthesized seismograms to verify whether at least one of the source models in the Suite generates seismograms that match the observed waveforms, and if good fits to seismograms are due to source models that are close to what is actually known about the Colfiorito earthquake. We tested the hypotheses with a range Of Source parameters proposed by Hutchings et al. [Hutchings, L. loannidou, E, Kalogeras. I. Voulgans. N, Savy. J.. Foxall. W.. Scognamigho, L. and Stavrakakis, G. (2007) A physically-based strong ground motion prediction methodology; Application to PSHA and the 1999 M = 6 0 Athens Earthquake Geophys J Int 168. 569-680]. We synthesized records from 100 rupture scenarios that were generated by a Monte Carlo selection of parameters within the range. This range was based upon having some prior knowledge of where the earthquake would occur Observed values of AAR, PSV and FFT fit within the 68% confidence interval for all four stations. and one of the models generated seismograms that had a good fit compared to the observations. Moreover, a strict test for validating a physically-based ground motion hazard prediction methodology is that as more information is known about the source, the uncertainty of the prediction should narrow, but still include the actual ground motion Then. we tightened the source parameters to be centered about the known parameters for the Colfiorito earthquake, and allowed for less uncertainty in their values. We found this to be true for this test While the 68% confidence interval narrowed from a Factor of +/- about 4 to +/- about 2 for the distributions. observed values of AAR. PSV and FFT still fit within the distributions for all four stations Ultimately. we have calculated peak ground velocity (PGV) and peak ground acceleration (PGA) for all the synthetic seismograms obtained from the computed scenarios, and we have found that they are comparable with the actual and with those from the attenuation relation. We conclude that the methodology of Hutchings et al. [Hutchings, L. loannidau, E, Kalogeras, I, Voulgans, N. Savy, J.. Foxall. W., Scognamigho. L. and Stavrakakis. G. (2007) A physically-based strong ground motion prediction methodology. Application to PSHA and the 1999 M = 6 0 Athens Earthquake. Geophys J lilt 168. 569-680] is promising in giving ground motion hazard prediction estimates. (C) 2009 Elsevier B V All rights reserved. C1 [Scognamiglio, Laura] Ist Nazl Geofis & Vulcanol, I-00143 Rome, Italy. [Hutchings, Lawrence] Lawrence Berkeley Natl Lab, Berkeley, CA 94025 USA. RP Scognamiglio, L (reprint author), Ist Nazl Geofis & Vulcanol, Via Vigna Murata 605, I-00143 Rome, Italy. RI Scognamiglio, Laura/F-4656-2014 OI Scognamiglio, Laura/0000-0002-5437-5276 NR 42 TC 5 Z9 5 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0040-1951 J9 TECTONOPHYSICS JI Tectonophysics PD OCT 15 PY 2009 VL 476 IS 1-2 SI SI BP 145 EP 158 DI 10.1016/j.tecto.2009.05.024 PG 14 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 512MH UT WOS:000271253000014 ER PT J AU Ngwa, HA Kanthasamy, A Anantharam, V Song, CJ Witte, T Houk, R Kanthasamy, AG AF Ngwa, Hilary Afeseh Kanthasamy, Arthi Anantharam, Vellareddy Song, Chunjuan Witte, Travis Houk, Robert Kanthasamy, Anumantha G. TI Vanadium induces dopaminergic neurotoxicity via protein kinase Cdelta dependent oxidative signaling mechanisms: Relevance to etiopathogenesis of Parkinson's disease SO TOXICOLOGY AND APPLIED PHARMACOLOGY LA English DT Article DE Metal mixtures; Vanadium; Manganese; Neurotoxicity; Oxidative stress; Parkinson's disease ID APOPTOTIC CELL-DEATH; METHYLCYCLOPENTADIENYL MANGANESE TRICARBONYL; ENVIRONMENTAL RISK-FACTORS; CASPASE-3-DEPENDENT PROTEOLYTIC CLEAVAGE; C-DELTA; CYTOCHROME-C; NEURODEGENERATIVE DISEASES; RNA INTERFERENCE; NEURONAL CELLS; PKC-DELTA AB Environmental exposure to neurotoxic metals through various sources including exposure to welding fumes has been linked to an increased incidence of Parkinson's disease (PD). Welding fumes contain many different metals including vanadium typically present as particulates containing vanadium pentoxide (V(2)O(5)). However, possible neurotoxic effects of this metal oxide on dopaminergic neuronal cells are not well studied. In the present Study, we characterized vanadium-induced oxidative stress-dependent cellular events in cell culture models of PD. V(2)O(5) was neurotoxic to dopaminergic neuronal cells including primary nigral dopaminergic neurons and the EC(50) was determined to be 37 mu M in N27 dopaminergic neuronal cell model. The neurotoxic effect was accompanied by a time-dependent uptake of vanadium and Upregulation of metal transporter proteins Tf and DMT1 in N27 cells. Additionally, vanadium resulted in a threefold increase in reactive oxygen species generation, followed by release of mitochondrial cytochrome c into cytoplasm and Subsequent activation of caspase-9 (>fourfold) and caspase-3 (>ninefold). Interestingly, vanadium exposure induced proteolytic cleavage of native protein kinase Cdelta (PKC delta, 72-74 kDa) to yield a 41 kDa catalytically active fragment resulting in a persistent increase in PKC delta kinase activity. Co-treatment with pan-caspase inhibitor Z-VAD-FMK significantly blocked vanadium-induced PKC delta proteolytic activation, indicating that caspases mediate PKC delta cleavage. Also, co-treatment with Z-VAD-FMK almost completely inhibited V(2)O(5)-induced DNA fragmentation. Furthermore, PKC delta knockdown using siRNA protected N27 cells from V(2)O(5)-induced apoptotic cell death. Collectively, these results demonstrate that vanadium can exert neurotoxic effects in dopaminergic neuronal cells via caspase-3-dependent PKC delta cleavage, suggesting that metal exposure may promote nigral dopaminergic degeneration. (C) 2009 Elsevier Inc. All rights reserved. C1 [Kanthasamy, Anumantha G.] Iowa State Univ, Dept Biomed Sci, Iowa Ctr Adv Neurotoxicol, Parkinsons Disorder Res Lab, Ames, IA 50011 USA. [Witte, Travis; Houk, Robert] US DOE, Ames Lab, Ames, IA 50011 USA. [Witte, Travis; Houk, Robert] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Kanthasamy, AG (reprint author), Iowa State Univ, Dept Biomed Sci, Iowa Ctr Adv Neurotoxicol, Parkinsons Disorder Res Lab, 2062 Vet Med Bldg, Ames, IA 50011 USA. EM akanthas@iastate.edu FU National Institutes of Health (NIH) [ES10586, NS 38644]; Ames Laboratory [DE-AC02-07CH11358] FX This work was supported by National Institutes of Health (NIH) Grants ES10586 and NS 38644. The W. Eugene and Linda Lloyd Endowed Chair to AGK also is acknowledged. The ICP-MS device was provided by the U. S. Department of Energy, Nuclear Nonproliferation and Basic Energy Sciences Programs. Ames Laboratory is operated under Contract DE-AC02-07CH11358. The authors acknowledge Ms. MaryAnn deVries for her assistance ill the preparation of this manuscript. NR 85 TC 38 Z9 39 U1 2 U2 4 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0041-008X J9 TOXICOL APPL PHARM JI Toxicol. Appl. Pharmacol. PD OCT 15 PY 2009 VL 240 IS 2 BP 273 EP 285 DI 10.1016/j.taap.2009.07.025 PG 13 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA 503TE UT WOS:000270562100019 ER PT J AU Joly, AG Beck, KM Hess, WP AF Joly, Alan G. Beck, Kenneth M. Hess, Wayne P. TI Photodesorption of excited iodine atoms from KI (100) SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID ELECTRON-STIMULATED DESORPTION; ALKALI-HALIDES; SURFACE EXCITATION; POTASSIUM-HALIDES; LASER-DESORPTION; IONIC SURFACES; TRANSITIONS; SPECTRA; KI(100); KBR AB Band-to-band photoexcitation of potassium iodide single crystals with UV photons produces thermal and hyperthermal I-atom emission in both the ground I((2)P(3/2)) and spin-orbit excited I*((2)P(1/2)) states. Thermal halogen atom emission is preceded by H-center diffusion from bulk to surface and excited atom emission indicates that the excited hole spin state relaxation is incomplete before H-center diffusion to the surface. The hyperthermal I-atom kinetic energy distribution is inverted in the sense that the electronically excited I*((2)P(1/2)) atoms are more energetic than the ground state I*((2)P(3/2)) atoms. The mechanism for hyperthermal emission of halogen atoms and their kinetic energy distributions are discussed in terms of recent calculations and a simple curve crossing model for the dynamical desorption process. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3245869] C1 [Joly, Alan G.; Hess, Wayne P.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Beck, Kenneth M.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Hess, WP (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, POB 999, Richland, WA 99352 USA. EM wayne.hess@pnl.gov FU Department of Energy, Division of Chemical Sciences, Geosciences and Biosciences, of the Office of Basic Energy Sciences FX The authors were supported by the Department of Energy, Division of Chemical Sciences, Geosciences and Biosciences, of the Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated for the U. S. Department of Energy by Battelle. Experiments were performed at the Environmental Molecular Sciences Laboratory, a U. S. Department of Energy user facility operated by the office of Biological and Environmental Research. NR 31 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD OCT 14 PY 2009 VL 131 IS 14 AR 144509 DI 10.1063/1.3245869 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 507BS UT WOS:000270825600028 PM 19831454 ER PT J AU Kim, HY Kent, PRC AF Kim, Hye-Young Kent, P. R. C. TI van der Waals forces: Accurate calculation and assessment of approximate methods in dielectric nanocolloids up to 16 nm SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DRUDE-MODEL CALCULATION; DISPERSION FORCES; COLLOIDAL PARTICLES; GENERAL THEORY; SURFACE AB A microscopic method is used to calculate the van der Waals (VDW) forces between large nanocolloids. We assess the reliability of predictions derived from the most commonly used macroscopic method in practice, the Dzyaloshinskii-Lifshitz-Pitaevskii (DLP) theory combined with the Derjaguin approximation, by calculating the VDW interactions using the "coupled dipole method" (CDM). The CDM, which has demonstrated its ability to calculate VDW interactions for small nanoclusters, accounts for all many-body forces, and it does not assume a continuous, homogeneous dielectric function in each material. It is shown that, out of three explored, one of the routinely assumed properties ("small-separation dominance") of VDW forces predicted from the macroscopic method is generally applicable for large spherical dielectric nanoclusters of diameter 16 nm allowing much more efficient CDM calculations. The failure of two other routinely assumed properties, "infinite-depth approximation" and "sphere-cube analogy," demonstrates that the effect of finite-size and shape is important in nanocolloid systems even at the large size of 16 nm. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3244645] C1 [Kim, Hye-Young] SE Louisiana Univ, Dept Chem & Phys, Hammond, LA 70402 USA. [Kent, P. R. C.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Kim, HY (reprint author), SE Louisiana Univ, Dept Chem & Phys, Hammond, LA 70402 USA. EM hye-young.kim@selu.edu RI Kent, Paul/A-6756-2008 OI Kent, Paul/0000-0001-5539-4017 FU U.S. Department of Energy Basic Energy Science [DOE-FG02-07ER46414]; Center of Nanophase Materials Sciences, Oak Ridge National Laboratory [CNMS2007-075, CNMS2009-038]; National Energy Research Scientific Computing Center FX This research has been supported by the U.S. Department of Energy Basic Energy Science Grant No. DOE-FG02-07ER46414, Center of Nanophase Materials Sciences, Oak Ridge National Laboratory (Grant Nos. CNMS2007-075 and CNMS2009-038), and the National Energy Research Scientific Computing Center. We thank Milton Cole and Darrell Velegol for stimulating discussions. NR 24 TC 5 Z9 5 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD OCT 14 PY 2009 VL 131 IS 14 AR 144705 DI 10.1063/1.3244645 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 507BS UT WOS:000270825600036 PM 19831462 ER PT J AU Wang, SB Mao, WL Autrey, T AF Wang, Shibing Mao, Wendy L. Autrey, Tom TI Bonding in boranes and their interaction with molecular hydrogen at extreme conditions SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID CAMBRIDGE STRUCTURAL DATABASE; AMMONIA-BORANE; THERMAL-DECOMPOSITION; HIGH-PRESSURE; CRYSTAL-STRUCTURES; STORAGE; RELEASE; STATE; CLATHRATE; BH3NH3 AB The effects of high pressure and temperature on the bonding in ammonia borane (AB), NH3BH3 and decaborane (DB), B10H14 and their interactions with molecular hydrogen (H-2) were investigated using Raman spectroscopy in a diamond anvil cell. At 0.7 GPa, AB becomes amorphous between 120 and 127 C, indicating a positive Clapeyron slope. Heated to 140 degrees C, AB begins to undergo decomposition to polyaminoborane. The amorphous and decomposed AB does not recrystallize back to AB during slow cooling to room temperature or upon application of high pressure up to 3 GPa, underscoring the challenge of rehydrogenation of decomposed AB. The molecular Raman modes broaden in the reacted phase, and the NH3 modes show no pressure dependence. DB was studied at room temperature up to 11 GPa. The observed frequency dependence with pressure (d nu/dP) and mode Gruneisen parameters varied for different spectral groups, and a new transition was identified at approximately 3 GPa. In both DB and heated AB, we found that they could store additional H-2 with the application of pressure. We estimate that we can store approximately 3 wt % H-2 in heated AB at 3 GPa and 1 wt % H-2 in DB at 4.5 GPa. c 2009 American Institute of Physics. [doi: 10.1063/1.3244982] C1 [Wang, Shibing] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. [Mao, Wendy L.] Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. [Mao, Wendy L.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Autrey, Tom] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wang, SB (reprint author), Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. EM shibingw@stanford.edu RI Mao, Wendy/D-1885-2009 FU Department of Energy (DOE) [DE-AC02-76SF00515]; DOE-NNSA FX We thank Dr. Jinfu Shu for help with sample loading. This work is supported by the Department of Energy (DOE) under Award No. DE-AC02-76SF00515 at the Stanford Institute for Materials & Energy Science. T. A. acknowledges support from the U. S. Department of Energy, Office of Basic Energy, Division of Chemical Sciences, Biosciences and Geosciences. PNNL is operated by Battelle. Travel to and use of the Geophysical Laboratory facilities was supported by DOE-NNSA (CDAC). NR 35 TC 12 Z9 12 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD OCT 14 PY 2009 VL 131 IS 14 AR 144508 DI 10.1063/1.3244982 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 507BS UT WOS:000270825600027 PM 19831453 ER PT J AU McMeeking, GR Kreidenweis, SM Baker, S Carrico, CM Chow, JC Collett, JL Hao, WM Holden, AS Kirchstetter, TW Malm, WC Moosmuller, H Sullivan, AP Wold, CE AF McMeeking, Gavin R. Kreidenweis, Sonia M. Baker, Stephen Carrico, Christian M. Chow, Judith C. Collett, Jeffrey L., Jr. Hao, Wei Min Holden, Amanda S. Kirchstetter, Thomas W. Malm, William C. Moosmueller, Hans Sullivan, Amy P. Wold, Cyle E. TI Emissions of trace gases and aerosols during the open combustion of biomass in the laboratory SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Review ID TRANSFORM INFRARED-SPECTROSCOPY; FINE-PARTICLE EMISSIONS; POLYCYCLIC AROMATIC-HYDROCARBONS; PRESCRIBED CHAPARRAL FIRE; UNITED-STATES; ORGANIC AEROSOL; CHEMICAL-CHARACTERIZATION; FIREPLACE COMBUSTION; BURNING EMISSIONS; OPTICAL-PROPERTIES AB We characterized the gas- and speciated aerosol-phase emissions from the open combustion of 33 different plant species during a series of 255 controlled laboratory burns during the Fire Laboratory at Missoula Experiments (FLAME). The plant species we tested were chosen to improve the existing database for U. S. domestic fuels: laboratory-based emission factors have not previously been reported for many commonly burned species that are frequently consumed by fires near populated regions and protected scenic areas. The plants we tested included the chaparral species chamise, manzanita, and ceanothus, and species common to the southeastern United States (common reed, hickory, kudzu, needlegrass rush, rhododendron, cord grass, sawgrass, titi, and wax myrtle). Fire-integrated emission factors for gas- phase CO2, CO, CH4, C2-4 hydrocarbons, NH3, SO2, NO, NO2, HNO3, and particle-phase organic carbon (OC), elemental carbon (EC), SO42-, NO3-, Cl-, Na+, K+, and NH4+ generally varied with both fuel type and with the fire-integrated modified combustion efficiency (MCE), a measure of the relative importance of flaming- and smoldering-phase combustion to the total emissions during the burn. Chaparral fuels tended to emit less particulate OC per unit mass of dry fuel than did other fuel types, whereas southeastern species had some of the largest observed emission factors for total fine particulate matter. Our measurements spanned a larger range of MCE than prior studies, and thus help to improve estimates of the variation of emissions with combustion conditions for individual fuels. C1 [McMeeking, Gavin R.; Kreidenweis, Sonia M.; Carrico, Christian M.; Collett, Jeffrey L., Jr.; Holden, Amanda S.; Sullivan, Amy P.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA. [Baker, Stephen; Hao, Wei Min; Wold, Cyle E.] US Forest Serv, Fire Sci Lab, Missoula, MT 59808 USA. [Chow, Judith C.; Moosmueller, Hans] Desert Res Inst, Div Atmospher Sci, Reno, NV 89512 USA. [Kirchstetter, Thomas W.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Malm, William C.] Colorado State Univ, Natl Pk Serv, CIRA, Ft Collins, CO 80523 USA. RP McMeeking, GR (reprint author), Univ Manchester, Ctr Atmospher Sci, Manchester M13 9PL, Lancs, England. EM gavin.mcmeeking@manchester.ac.uk RI McMeeking, Gavin/A-7679-2008; Collett, Jeffrey/F-2862-2010; Moosmuller, Hans/F-8250-2011; Kreidenweis, Sonia/E-5993-2011; OI McMeeking, Gavin/0000-0001-9782-3713; Collett, Jeffrey/0000-0001-9180-508X; Kreidenweis, Sonia/0000-0002-2561-2914; Moosmuller, Hans/0000-0002-1021-8877 FU Joint Fire Science Program under Project JFSP [05-3-1-06]; U. S. Department of Agriculture; National Park Service [J2350-07-5181]; U. S. Department of Energy's Office of Science (BER) through the Western Regional Center of the National Institute for Climatic Change Research FX FLAME was supported by the Joint Fire Science Program under Project JFSP 05-3-1-06, which is funded by the U. S. Department of Agriculture, by the National Park Service (J2350-07-5181) and by the U. S. Department of Energy's Office of Science (BER) through the Western Regional Center of the National Institute for Climatic Change Research. We thank R. Cullin, D. Day, G. Engling, and L. Mazzoleni for their assistance in collecting samples and P. Freeborn, E. Lincoln, and the FSL staff for their help during the burns. We also thank C. McDade and L. Ashbaugh for their assistance with the IMPROVE samplers and data. FLAME fuels were provided by M. Chandler, J. Chong, D. Davis, G. Engling, G. Gonzalez, S. Grace, J. Hinkley, R. Jandt, R. Moore, S. Mucci, R. Olson, K. Outcalt, J. Reardon, K. Robertson, P. Spaine, and D. Weise. We also thank R. Sullivan and E. Levin for proofreading the manuscript. GRM was supported by a Graduate Research Environmental Fellowship (GREF) from the U. S. Department of Energy's Global Change Education Program (GCEP). The manuscript has benefited immensely from the comments of three anonymous reviewers, and we thank them for their contributions. NR 108 TC 138 Z9 138 U1 15 U2 86 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD OCT 14 PY 2009 VL 114 AR D19210 DI 10.1029/2009JD011836 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 508OU UT WOS:000270943500002 ER PT J AU Riggs, SC McDonald, RD Kemper, JB Stegen, Z Boebinger, GS Balakirev, FF Kohama, Y Migliori, A Chen, H Liu, RH Chen, XH AF Riggs, Scott C. McDonald, R. D. Kemper, J. B. Stegen, Z. Boebinger, G. S. Balakirev, F. F. Kohama, Y. Migliori, A. Chen, H. Liu, R. H. Chen, X. H. TI Doping dependent nonlinear Hall effect in SmFeAsO1-xFx SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID SUPERCONDUCTIVITY AB We report the Hall resistivity, rho(xy), of polycrystalline SmFeAsO1-xFx for four different fluorine concentrations from the onset of superconductivity through the collapse of the structural phase transition. For the two more highly doped samples, rho(xy) is linear in magnetic field up to 50 T with only weak temperature dependence, reminiscent of a simple Fermi liquid. For the lightly doped samples with x < 0.15, we find a low temperature regime characterized as rho(xy) (H) being both nonlinear in magnetic field and strongly temperature-dependent even though the Hall angle is small. The onset temperature for this nonlinear regime is in the vicinity of the structural phase (SPT)/magnetic ordering (MO) transitions. The temperature dependence of the Hall resistivity is consistent with a thermal activation of carriers across an energy gap. The evolution of the energy gap with doping is reported. C1 [Riggs, Scott C.; Kemper, J. B.; Stegen, Z.; Boebinger, G. S.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [McDonald, R. D.; Balakirev, F. F.; Kohama, Y.; Migliori, A.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Chen, H.; Liu, R. H.; Chen, X. H.] Univ Sci & Technol China, Dept Phys, Hefei 230026, Anhui, Peoples R China. [Chen, H.; Liu, R. H.; Chen, X. H.] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China. RP Riggs, SC (reprint author), Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. EM scr@magnet.fsu.edu RI McDonald, Ross/H-3783-2013; Liu, Ronghua/A-9790-2013; OI McDonald, Ross/0000-0002-0188-1087; Liu, Ronghua/0000-0002-4053-3923; Mcdonald, Ross/0000-0002-5819-4739 NR 26 TC 3 Z9 3 U1 0 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD OCT 14 PY 2009 VL 21 IS 41 AR 412201 DI 10.1088/0953-8984/21/41/412201 PG 5 WC Physics, Condensed Matter SC Physics GA 498BJ UT WOS:000270110000001 PM 21693981 ER PT J AU Karakoti, AS Singh, S Kumar, A Malinska, M Kuchibhatla, SVNT Wozniak, K Self, WT Seal, S AF Karakoti, Ajay S. Singh, Sanjay Kumar, Amit Malinska, Maura Kuchibhatla, Satyanarayana V. N. T. Wozniak, Krzysztof Self, William T. Seal, Sudipta TI PEGylated Nanoceria as Radical Scavenger with Tunable Redox Chemistry SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID HOMOGENEOUS PRECIPITATION METHOD; CERIUM OXIDE NANOPARTICLES; POLYETHYLENE-GLYCOL; SUPEROXIDE-DISMUTASE; FINE PARTICLES; CONJUGATE; DELIVERY AB We report the direct synthesis of cerium oxide nanoparticles (CNPs) in polyethylene glycol (PEG) based solutions with efficient radical scavenging properties. Synthesis of CNPs in PEG demonstrated a concentration dependent (of PEG) redox activity characterized by UV-visible spectroscopy. PEGylated CNPs acted as efficient radical scavengers, and superoxide dismutase (SOD) activity of CNPs synthesized in various concentration of PEG did not reduce compared to bare nanoceria. In addition to superoxide, PEGylated nanoceria demonstrated quenching of peroxide radicals as welt. It was observed that the reaction with hydrogen peroxide leads to the formation of a charge transfer complex governed by the concentration of PEG. The stability of the charge transfer complex provides the tunable oxidation state of CNPs. The stability of this complex influences the regenerative capacity of the active 3+ oxidation state of CNPs. The cell viability as well as SOD activity of PEGylated CNPs is compared to those of bare CNPs, and the differences are outlined. C1 [Karakoti, Ajay S.; Kumar, Amit; Seal, Sudipta] Univ Cent Florida, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. [Singh, Sanjay; Self, William T.] Univ Cent Florida, Dept Mol Biol & Microbiol, Orlando, FL 32816 USA. [Seal, Sudipta] Univ Cent Florida, NSTC, Orlando, FL 32816 USA. Univ Cent Florida, Burnett Sch Biomed Sci, Orlando, FL 32816 USA. [Malinska, Maura; Wozniak, Krzysztof] Univ Warsaw, Dept Chem, PL-00325 Warsaw, Poland. [Kuchibhatla, Satyanarayana V. N. T.] Pacific NW Natl Lab, EMSL, Richland, WA 99354 USA. RP Karakoti, AS (reprint author), Univ Cent Florida, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. EM karakoti@mail.ucf.edu; sseal@mail.ucf.edu RI Self, William/A-6704-2008; Kumar, Amit/E-9483-2011; OI Malinska, Maura/0000-0002-7138-7041 FU NSF NIRT; NIH [RO1 AG031529]; NSF REU [EEC-0453436] FX Funding from NSF NIRT, NIH RO1 AG031529-01, NSF REU Site (International Supplement) EEC-0453436 is acknowledged. Portion of research performed using EMSL (facility sponsored by DOE's OBER). NR 23 TC 122 Z9 125 U1 12 U2 80 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 14 PY 2009 VL 131 IS 40 BP 14144 EP 14145 DI 10.1021/ja9051087 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 512SS UT WOS:000271271500009 PM 19769392 ER PT J AU Holcombe, TW Woo, CH Kavulak, DFJ Thompson, BC Frechet, JMJ AF Holcombe, Thomas W. Woo, Claire H. Kavulak, David F. J. Thompson, Barry C. Frechet, Jean M. J. TI All-Polymer Photovoltaic Devices of Poly(3-(4-n-octyl)-phenylthiophene) from Grignard Metathesis (GRIM) Polymerization SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID PHENYL-SUBSTITUTED POLYTHIOPHENES; COMPOSITE SOLAR-CELLS; CONDUCTING POLYMERS; CHARGE-TRANSFER; BLENDS; POLY(3-ALKYLTHIOPHENES); HETEROJUNCTIONS; DONOR AB The synthesis of poly[3-(4-n-octyl)-phenylthiophene] (POPT) from Grignard Metathesis (GRIM) is reported. GRIM POPT is found to have favorable electronic, optical, and processing properties for organic photovoltaics (OPVs). Space-charge limited current and field effect transistor measurements for POPT yielded hole mobilities of 1 X 10(-4) cm(2)/(V s) and 0.05 cm(2)/(V s), respectively. Spincasting GRIM POPT from chlorobenzene yields a thin film with a 1.8 eV band gap, and PC(61)BM:POPT bulk heterojection devices provide a peak performance of 3.1%. Additionally, an efficiency of 2.0% is achieved in an all-polymer, bilayer OPV using poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-(1-cyanovinylene)phenylene) (CNPPV) as an acceptor. This state-of-the-art all-polymer device is analyzed in comparison to the analogous poly(3-hexylthiophene) (P3HT)/CNPPV device. Counter to expectations based on more favorable energy level alignment, greater active layer tight absorption, and similar hole mobility, P3HT/CNPPV devices perform less well than POPT/CNPPV devices with a peak efficiency of 0.93%. C1 [Holcombe, Thomas W.; Kavulak, David F. J.; Thompson, Barry C.; Frechet, Jean M. J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Woo, Claire H.; Frechet, Jean M. J.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Holcombe, Thomas W.; Woo, Claire H.; Kavulak, David F. J.; Frechet, Jean M. J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Frechet, JMJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM frechet@berkeley.edu OI Frechet, Jean /0000-0001-6419-0163 FU U.S. Department of Energy [DE-AC02-05CH11231]; King Abdullah University of Science and Technology (KAUST) Center for Advanced Molecular Photovoltaics [KUS-C1-015-21]; NSF FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and in part by the King Abdullah University of Science and Technology (KAUST) Center for Advanced Molecular Photovoltaics (Award No. KUS-C1-015-21). T.W.H. and C.H.W. thank the NSF for graduate research fellowships. We also thank Jill E. Millstone and Alejandro L. Briseno for helpful discussions. NR 26 TC 129 Z9 129 U1 3 U2 55 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 14 PY 2009 VL 131 IS 40 BP 14160 EP + DI 10.1021/ja9059359 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 512SS UT WOS:000271271500017 PM 19757792 ER PT J AU Carnes, EC Harper, JC Ashley, CE Lopez, DM Brinker, LM Liu, JW Singh, S Brozik, SM Brinker, CJ AF Carnes, Eric C. Harper, Jason C. Ashley, Carlee E. Lopez, DeAnna M. Brinker, Lina M. Liu, Juewen Singh, Seerna Brozik, Susan M. Brinker, C. Jeffrey TI Cell-Directed Localization and Orientation of a Functional Foreign Transmembrane Protein within a Silica Nanostructure SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SOL-GEL GLASS; BACTERIORHODOPSIN; ENCAPSULATION; RECONSTITUTION; LIPOSOMES; VIABILITY; BACTERIA AB A simple procedure for introducing functional exogenous membrane-bound proteins to viable cells encapsulated within a lipid templated silica nanostructure is. described. In one method, bacteriorbodopsin (bR) was added directly to a Saccharomyces cerevisiae solution along with short zwitterionic diacylphosphatidylcholines (diC(6) PC) and mixed with equal volumes of a sol precursor solution. Alternatively, bR was first incorporated into liposomes (bR-proteoliposomes) and then added to an S. cerevisiae solution with diC(6) PC, and this was followed by mixing with sol precursor solution. Films prepared from bR added directly to diC, PC resulted in bR localization near S. cerevisiae cells in a disordered and diffuse fashion, while films prepared from bR-proteoliposomes added to the diC(6) PC/yeast solution resulted in preferential localization of bR near yeast cell surfaces, forming bR-containing multilayer vesicles. Importantly, bR introduced via proteoliposomes was observed to modulate pH gradients developed at the cell surface, demonstrating both retained functionality and preferential orientation. Localization of liposome lipid or bR did not occur around neutrally charged latex beads acting as cell surrogates, demonstrating that living cells actively organize the multilayered lipid during evaporation-induced self-assembly. We expect this simple procedure for introducing functional and oriented membrane-bound proteins to the surface of cells to be general and adaptable to other membrane-bound proteins. This advance may prove useful in fundamental studies of membrane protein function and cell-cell signaling and in imparting non-native characteristics to arbitrary cells. C1 [Carnes, Eric C.; Harper, Jason C.; Ashley, Carlee E.; Lopez, DeAnna M.; Brinker, Lina M.; Liu, Juewen; Singh, Seerna; Brozik, Susan M.; Brinker, C. Jeffrey] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Brinker, C. Jeffrey] Univ New Mexico, Dept Mol Genet & Microbiol, Albuquerque, NM 87131 USA. [Harper, Jason C.; Brozik, Susan M.; Brinker, C. Jeffrey] Sandia Natl Labs, Albuquerque, NM 87106 USA. RP Brinker, CJ (reprint author), Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. EM cjbrink@sandia.gov RI Liu, Juewen/A-2701-2014 FU Air Force Office of Science and Research (AFOSR); DOE Office of Science, Office of Basic Energy Sciences, the Defense Threat Reduction Agency (DTRA) CB Basic Research Program; Sandia's LDRD Program; United States Department of Energy [DE-AC04-94AL85000] FX This work was funded by the Air Force Office of Science and Research (AFOSR), the DOE Office of Science, Office of Basic Energy Sciences, the Defense Threat Reduction Agency (DTRA) CB Basic Research Program, and Sandia's LDRD Program. We thank Constantine Khripin for measuring the pH dependence of Oregon Green fluorescence emission. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. NR 24 TC 16 Z9 16 U1 0 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 14 PY 2009 VL 131 IS 40 BP 14255 EP + DI 10.1021/ja906055m PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 512SS UT WOS:000271271500059 PM 19764723 ER PT J AU Petkov, V Cozzoli, PD Buonsanti, R Cingolani, R Ren, Y AF Petkov, Valeri Cozzoli, P. Davide Buonsanti, Raffaella Cingolani, Roberto Ren, Yang TI Size, Shape, and Internal Atomic Ordering of Nanocrystals by Atomic Pair Distribution Functions: A Comparative Study of gamma-Fe2O3 Nanosized Spheres and Tetrapods SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID X-RAY-DIFFRACTION; NANOPARTICLES; REFINEMENT AB Due to their limited length of structural coherence nanocrystalline materials show very diffuse powder X-ray diffraction patterns that are difficult to interpret unambiguously. We demonstrate that a combination of high-energy X-ray powder diffraction and atomic pair distribution function analysis can be used to both assess the geometry (i.e., size and shape) and determine the internal atomic ordering of nanocrystalline materials in a straightforward way. As an example we consider cubic gamma-Fe2O3 nanosized crystals shaped as spheres and tetrapods. C1 [Petkov, Valeri] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48858 USA. [Cozzoli, P. Davide; Buonsanti, Raffaella] Univ Salento, Scuola Super ISUFI, I-73100 Lecce, Italy. [Cozzoli, P. Davide; Buonsanti, Raffaella; Cingolani, Roberto] CNR INFM, Natl Nanotechnol Lab, Unita Ric IIT, I-73100 Lecce, Italy. [Cingolani, Roberto] Fdn Ist Italiano Tecnol, IIT, I-16163 Genoa, Italy. [Ren, Yang] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Petkov, V (reprint author), Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48858 USA. EM petkov@phy.cmich.edu RI Cingolani, Roberto/B-9191-2011; COZZOLI, Pantaleo Davide/J-3973-2014 OI COZZOLI, Pantaleo Davide/0000-0001-8037-6937 FU DOE [DE-AC02-06CH11357] FX Work at APS is supported by DOE under Contract DE-AC02-06CH11357. Benedetta Antonazzo is also thanked for help with the TP synthesis. NR 15 TC 26 Z9 27 U1 4 U2 32 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 14 PY 2009 VL 131 IS 40 BP 14264 EP + DI 10.1021/ja9067589 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 512SS UT WOS:000271271500062 PM 19807180 ER PT J AU Jo, YS van der Vlies, AJ Gantz, J Thacher, TN Antonijevic, S Cavadini, S Demurtas, D Stergiopulos, N Hubbell, JA AF Jo, Yun Suk van der Vlies, Andre J. Gantz, Jay Thacher, Tyler N. Antonijevic, Sasa Cavadini, Simone Demurtas, Davide Stergiopulos, Nikolaos Hubbell, Jeffrey A. TI Micelles for Delivery of Nitric Oxide SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID THERAPEUTIC STRATEGIES; SECONDARY-AMINES; RESTENOSIS; DONORS; ATHEROSCLEROSIS; APOPTOSIS; DRUG; NO; NANOPARTICLES; MECHANISMS AB We designed block copolymer pro-amphiphiles and amphiphiles for providing very long-term release of nitric oxide (NO). A block copolymer of N-acryloylmorpholine (AM, as a hydrophile) and N-acryloyl-2,5-dimethylpiperazine (AZd, as a hydrophilic precursor) was synthesized. The poly(N-acryloyl-2,5-dimethylpiperazine) (PAZd) is water-soluble, but chemical reaction of the secondary amines with NO to form a N-diazeniumdiolate (NONOate) converts the hydrophilic PAZd into a hydrophobic poly(sodium-l(N-acryloyl-2,5-dimethylpiperazin-1-yl)diazen-1-ium-1,2-diolate) (PAZd center dot NONOate), driving aggregation. The PAM block guides this process toward micellization, rather than precipitation, yielding ca. 50 nm spherical micelles. The hydrophobic core of the micelle shielded the NONOate from the presence of water, and thus protons, which are required for NO liberation, delaying release to a remarkable 7 d half-life. Release of the NO returned the original soluble polymer. The very small NO-loaded micelles were able to penetrate complex tissue structures, such as the arterial media, opening up a number of tissue targets to NO-based therapy. C1 [Jo, Yun Suk; van der Vlies, Andre J.; Gantz, Jay; Thacher, Tyler N.; Stergiopulos, Nikolaos; Hubbell, Jeffrey A.] Ecole Polytech Fed Lausanne, Inst Bioengn IBI, CH-1015 Lausanne, Switzerland. [Antonijevic, Sasa; Cavadini, Simone] Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn ISIC, CH-1015 Lausanne, Switzerland. [Antonijevic, Sasa] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Antonijevic, Sasa] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Demurtas, Davide] Univ Lausanne, Lab Analyse Ultrastruct, CH-1015 Lausanne, Switzerland. RP Hubbell, JA (reprint author), Ecole Polytech Fed Lausanne, Inst Bioengn IBI, CH-1015 Lausanne, Switzerland. EM jeffrey.hubbell@epfl.ch RI van der vlies, andre/A-8956-2010; Hubbell, Jeffrey/A-9266-2008; Stergiopulos, Nikos/A-6776-2012; Antonov, Alexander/I-2413-2012 OI Hubbell, Jeffrey/0000-0003-0276-5456; FU Ecole Polytechnique Federale de Lausanne (EPFL) FX We thank Dr. Do Kyung Kim and Ms. Meng Meng Lin (Keele University in the U.K.) for their valuable help and discussions with regard to thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) experiments. The project was funded by the Ecole Polytechnique Federale de Lausanne (EPFL). NR 39 TC 40 Z9 40 U1 5 U2 39 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 14 PY 2009 VL 131 IS 40 BP 14413 EP 14418 DI 10.1021/ja905123t PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 512SS UT WOS:000271271500080 PM 19764751 ER PT J AU Mock, MT Potter, RG Camaioni, DM Li, J Dougherty, WG Kassel, WS Twamley, B DuBois, DL AF Mock, Michael T. Potter, Robert G. Camaioni, Donald M. Li, Jun Dougherty, William G. Kassel, W. Scott Twamley, Brendan DuBois, Daniel L. TI Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID AMMONIA-BORANE DEHYDROGENATION; CHEMICAL HYDROGEN STORAGE; TRANSITION-METAL HYDRIDES; REACTIONS INVOLVING BORON; AB-INITIO CALCULATIONS; DONOR ABILITIES; THERMAL-DECOMPOSITION; ORGANIC-COMPOUNDS; PERIODIC TRENDS; REGENERATION AB This study examines the use of transition-metal hydride complexes that can be generated by the heterolytic cleavage of H-2 gas to form B-H bonds. Specifically, these studies are focused on providing a reliable and quantitative method for determining when hydride transfer from transition-metal hydrides; to three-coordinate BX3 (X = OR, SPh, F, H; R = Ph, p-C6H4OMe, C6F5, Bu-t, Si(Me)(3)) compounds will be favorable. This involves both experimental and theoretical determinations of hydride transfer abilities. Thermodynamic hydride donor abilities (Delta G degrees(H-)) were determined for HRh(dmpe)(2) and HRh(depe)(2), where dmpe = 1,2-bis(dimethylphosphinoethane) and depe = 1,2-bis(diethylphosphinoethane), on a previously established scale in acetonitrile. This hydride donor ability was used to determine the hydride donor ability of [HBEt3](-) on this scale. Isodesmic reactions between [HBEt3](-) and selected BX3 compounds to form BEt3 and [HBX3](-) were examined computationally to determine their relative hydride affinities. The use of these scales of hydride donor abilities and hydride affinities for transition-metal hydrides and BX3 compounds is illustrated with a few selected reactions relevant to the regeneration of ammonia borane. Our findings indicate that it is possible to form B-H bonds from B-X bonds, and the extent to which BX3 compounds are reduced by transition-metal hydride complexes forming species containing multiple B-H bonds depends on the heterolytic B-X bond energy. An example is the reduction of B(SPh)(3) using HRh(dmpe)(2) in the presence of triethylamine to form Et3N-BH3 in high yields. C1 [Mock, Michael T.; Potter, Robert G.; Camaioni, Donald M.; Li, Jun; DuBois, Daniel L.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Dougherty, William G.; Kassel, W. Scott] Villanova Univ, Dept Chem, Villanova, PA 19085 USA. [Twamley, Brendan] Univ Idaho, Dept Chem, Moscow, ID 83844 USA. RP DuBois, DL (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM daniel.dubois@pnl.gov RI Li, Jun/E-5334-2011 OI Li, Jun/0000-0002-8456-3980 FU U.S. Department of Energy's (DOE) FX This work was supported by the U.S. Department of Energy's (DOE) Office of Energy Efficiency and Renewable Energy Center of Excellence for Chemical Hydrogen Storage. A portion of the research was per-formed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for DOE. The Bruker (Siemens) SMART APEX diffraction facility was established at the University of Idaho with the assistance of the NSF-EPSCoR program and the M. J. Murdock Charitable Trust, Vancouver, WA. NR 61 TC 51 Z9 51 U1 1 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 14 PY 2009 VL 131 IS 40 BP 14454 EP 14465 DI 10.1021/ja905287q PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA 512SS UT WOS:000271271500085 PM 19754124 ER PT J AU Yim, JWL Xiang, B Wu, JQ AF Yim, Joanne W. L. Xiang, Bin Wu, Junqiao TI Sublimation of GeTe Nanowires and Evidence of Its Size Effect Studied by in Situ TEM SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID GERMANIUM TELLURIDE NANOWIRES; PHASE-CHANGE NANOWIRES; EVAPORATION; MEMORY; NONVOLATILE AB We report sublimation of crystalline GeTe nanowires at elevated temperatures in vacuum imaged by in situ transmission electron microscopy. The GeTe nanowires exhibit significant melting point suppression in the presence of Au contamination. A nanosized effusion cell is formed by coating the GeTe core with a SiO(2) shell, where the core can be evaporated or sublimated from the open end of the shell at high temperatures. By measuring the speed of the moving interface between the condensed and vapor phases, we determined the vaporization coefficient of these nanowires to be greater than or equal to similar to 10(-3) over a wide range of temperatures. At the final stage of the nanowire vaporization, the material loss occurs at a higher rate, which is evidence of a higher vaporization coefficient for nanosized GeTe. This in situ technique offers a quantitative method of investigating phase transition dynamics and kinetics of nanomaterials, an important topic for designing nanoscale devices to be operated at high temperatures such as phase change memory. C1 [Yim, Joanne W. L.; Xiang, Bin; Wu, Junqiao] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Yim, Joanne W. L.; Xiang, Bin; Wu, Junqiao] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Wu, JQ (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM wuj@berkeley.edu RI Wu, Junqiao/G-7840-2011; Xiang, Bin/C-9192-2012 OI Wu, Junqiao/0000-0002-1498-0148; FU National Science Foundation [EEC-0425914]; Lawrence Berkeley National Laboratory (LBNL) under the Department of Energy [DE-AC02-05CH11231] FX The authors thank Prof. A. Stacy of U.C. Berkeley for the use of the diffractometer. We are grateful for technical assistance from C. Song, Z. Lee, and Prof. A. Minor. This work was supported in part by National Science Foundation under Grant No. EEC-0425914 and in part by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory (LBNL) under the Department of Energy Contract No. DE-AC02-05CH11231. J.Y. acknowledges support from the National Science Foundation - Graduate Research Fellowship Program. Portions of this work were performed at the National Center for Electron Microscopy, LBNL, and the U.C. Berkeley Microfabrication Laboratory. NR 25 TC 14 Z9 14 U1 8 U2 48 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 14 PY 2009 VL 131 IS 40 BP 14526 EP 14530 DI 10.1021/ja905808d PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 512SS UT WOS:000271271500092 PM 19807191 ER PT J AU Dauter, Z Wlodawer, A AF Dauter, Zbigniew Wlodawer, Alexander TI Proteins Do Not Have Strong Spines After All SO STRUCTURE LA English DT Editorial Material ID REFINEMENT AB In this issue of Structure, Berkholz et al. show that the detailed backbone geometry of proteins depends on the local conformation and suggest how this information can be practically used in modeling and refining protein structures. C1 [Dauter, Zbigniew] Argonne Natl Lab, NCI, Macromol Crystallog Lab, Synchrotron Radiat Res Sect, Argonne, IL 60439 USA. [Wlodawer, Alexander] FCRDC, NCI, Macromol Crystallog Lab, Prot Struct Sect, Ft Detrick, MD 21702 USA. RP Dauter, Z (reprint author), Argonne Natl Lab, NCI, Macromol Crystallog Lab, Synchrotron Radiat Res Sect, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zdauter@anl.gov NR 9 TC 5 Z9 5 U1 0 U2 1 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0969-2126 J9 STRUCTURE JI Structure PD OCT 14 PY 2009 VL 17 IS 10 BP 1278 EP 1279 DI 10.1016/j.str.2009.09.002 PG 2 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 509VS UT WOS:000271047700002 PM 19836327 ER PT J AU Wang, T Li, H Lin, G Tang, CY Li, DY Nathan, C Darwin, KH Li, HL AF Wang, Tao Li, Hua Lin, Gang Tang, Chunyan Li, Dongyang Nathan, Carl Darwin, K. Heran Li, Huilin TI Structural Insights on the Mycobacterium tuberculosis Proteasomal ATPase Mpa SO STRUCTURE LA English DT Article ID RHODOCOCCUS-ERYTHROPOLIS; PROTEIN-DEGRADATION; HYDROGEN-EXCHANGE; 20S PROTEASOMES; PORE LOOPS; AAA-ATPASE; MACHINE; RECOGNITION; HYDROLYSIS; MECHANISM AB Proteasome-mediated protein turnover in all domains of life is an energy-dependent process that requires ATPase activity. Mycobacterium tuberculosis (Mtb) was recently shown to possess a ubiquitin-like proteasome pathway that plays an essential role in Mtb resistance to killing by products of host macrophages. Here we report our structural and biochemical investigation of Mpa, the presumptive Mtb proteasomal ATPase. We demonstrate that Mpa binds to the Mtb proteasome in the presence of ATP gamma S, providing the physical evidence that Mpa is the proteasomal ATPase. X-ray crystallographic determination of the conserved interdomain showed a five stranded double beta barrel structure containing a Greek key motif. Structure and mutational analysis indicate a major role of the interdomain for Mpa hexamerization. Our mutational and functional studies further suggest that the central channel in the Mpa hexamer is involved in protein substrate translocation and degradation. These studies provide insights into how a bacterial proteasomal ATPase interacts with and facilitates protein degradation by the proteasome. C1 [Wang, Tao; Li, Hua; Tang, Chunyan; Li, Dongyang; Li, Huilin] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Lin, Gang; Nathan, Carl] Cornell Univ, Weill Med Coll, Dept Microbiol & Immunol, New York, NY 10021 USA. [Darwin, K. Heran] NYU, Sch Med, Dept Microbiol, New York, NY 10016 USA. [Li, Huilin] SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. RP Li, HL (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM heran.darwin@med.nyu.edu; hli@bnl.gov RI Tang, Chunyan/E-8352-2010; li, lianbo/H-1152-2011 FU National Institutes of Health (NIH) [A1070285, A1065437, HL092774, A1064768]; Brookhaven National Laboratory LDRD [06-60] FX We thank A. Heroux and S. Eswaramoorthy for their expert advice on X-ray crystallography. We thank the staff of Beam lines X25 and X29 at the National Synchrotron Light Source, Brookhaven National Laboratory, for technical assistance in data collection. This work is supported by National Institutes of Health (NIH) grant A1070285 and Brookhaven National Laboratory LDRD grant 06-60 to H.L. and by NIH grants A1065437 and HL092774 to K.H.D. and A1064768 to C.N. NR 39 TC 36 Z9 40 U1 4 U2 16 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0969-2126 J9 STRUCTURE JI Structure PD OCT 14 PY 2009 VL 17 IS 10 BP 1377 EP 1385 DI 10.1016/j.str.2009.08.010 PG 9 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 509VS UT WOS:000271047700013 PM 19836337 ER PT J AU Karkamkar, A Kathmann, SM Schenter, GK Heldebrant, DJ Hess, N Gutowski, M Autrey, T AF Karkamkar, Abhijeet Kathmann, Shawn M. Schenter, Gregory K. Heldebrant, David J. Hess, Nancy Gutowski, Maciej Autrey, Tom TI Thermodynamic and Structural Investigations of Ammonium Borohydride, a Solid with a Highest Content of Thermodynamically and Kinetically Accessible Hydrogen SO CHEMISTRY OF MATERIALS LA English DT Article ID THERMAL-DECOMPOSITION; ALKALI BOROHYDRIDES; LIQUID AMMONIA; STORAGE; BORANE; DIAMMONIATE; DIBORANE; HYDRIDES; SYSTEM; RAMAN C1 [Karkamkar, Abhijeet; Kathmann, Shawn M.; Schenter, Gregory K.; Heldebrant, David J.; Hess, Nancy; Autrey, Tom] Pacific NW Natl Lab, Richland, WA 99354 USA. [Gutowski, Maciej] Heriot Watt Univ, Sch Engn & Phys Sci, Edinburgh EH14 4AS, Midlothian, Scotland. RP Autrey, T (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. RI Schenter, Gregory/I-7655-2014; OI Schenter, Gregory/0000-0001-5444-5484; Hess, Nancy/0000-0002-8930-9500 FU U.S. Department of Energy; Office of Basic Energy; Division of Chemical Sciences, Biosciences and Geosciences FX This work was Supported Support from the U.S. Department of Energy, Office of Basic Energy, Division of Chemical Sciences, Biosciences and Geosciences. PNNL is operated for the DOE by Battelle. NR 22 TC 35 Z9 35 U1 0 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD OCT 13 PY 2009 VL 21 IS 19 BP 4356 EP 4358 DI 10.1021/cm902385c PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 502LO UT WOS:000270461700004 ER PT J AU Srivastava, S Podsiadlo, P Critchley, K Zhu, J Qin, M Shim, BS Kotov, NA AF Srivastava, Sudhanshu Podsiadlo, Paul Critchley, Kevin Zhu, Jian Qin, Ming Shim, Bong Sup Kotov, Nicholas A. TI Single-Walled Carbon Nanotubes Spontaneous Loading into Exponentially Grown LBL Films SO CHEMISTRY OF MATERIALS LA English DT Article ID POLYELECTROLYTE MULTILAYER FILMS; EXCHANGE PROCESSES; ELECTRICAL-CONDUCTIVITY; COMPOSITES; NANOPARTICLES; NANOWIRES AB Exponentially growing layer-by-layer (e-LBL) assembled films attracts a lot of attention mostly due to multiple practical applications in biology and medicine. However, e-LBL was observed only for a very limited number of polymers. This fact inevitably limits the area of research and functionalitics that one can obtain for them. Also, it is fundamentally important to gain better understanding of the effect and importance of molecular flexibility for e-LBL films. Here we report that dispersions of rod-like nanocolloids such as single walled carbon nanotubes (SWNTs) and nanowires (NWs) can spontaneously "bore into" and stay in the e-LBL matrix. Molecular rigidity and surface charge appear to be the key parameters determining the possibility Of Such a process and its extent. SWNT forms a thick 2-25 mu m penetration layer, while insufficient flexibility leads to hedgehog structures in the case of CdTe and Te NA's. Electrical properties of the films obtained display fundamental differences with SWNT composites made by standard methods. They were attributed to thermal activation of vibrational modes of film components disturbing nanotube-to-nanotube tunneling. The dynamic nature of the e-LBL film combined with unique SWNTs properties can lead to a new type of smart materials and can help a better understanding of methods of morphological control in nanocomposites. C1 [Srivastava, Sudhanshu; Podsiadlo, Paul; Critchley, Kevin; Zhu, Jian; Qin, Ming; Shim, Bong Sup; Kotov, Nicholas A.] Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA. [Srivastava, Sudhanshu; Podsiadlo, Paul; Critchley, Kevin; Zhu, Jian; Qin, Ming; Shim, Bong Sup; Kotov, Nicholas A.] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. [Srivastava, Sudhanshu; Podsiadlo, Paul; Critchley, Kevin; Zhu, Jian; Qin, Ming; Shim, Bong Sup; Kotov, Nicholas A.] Univ Michigan, Dept Biomed Engn, Ann Arbor, MI 48109 USA. [Podsiadlo, Paul] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Kotov, NA (reprint author), Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA. EM kotov@umich.edu RI Zhu, Jian/D-4122-2012; Zhu, Jian/H-6443-2015; OI Zhu, Jian/0000-0002-7004-0257; Critchley, Kevin/0000-0002-0112-8626; Shim, Bong Sup/0000-0003-3205-6191; Kotov, Nicholas/0000-0002-6864-5804 FU AFOSR [MURI 444286-PO61716, ONR N00014-06-1-0473, Air Force FA9550-05-1-043]; NSF [CMS-0528867, R8112-G1]; Fannie and John Hertz Foundation; EU [MOIF-CT-2006-0396361] FX The work is supported by AFOSR MURI 444286-PO61716, ONR N00014-06-1-0473, Air Force FA9550-05-1-043, NSF CMS-0528867, and NSF R8112-G1. P.P. thanks the Fannie and John Hertz Foundation for the graduate fellowship. K.C. thanks the EU under Marie Curie Fellowship (MOIF-CT-2006-0396361 for support. NR 33 TC 18 Z9 19 U1 4 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD OCT 13 PY 2009 VL 21 IS 19 BP 4397 EP 4400 DI 10.1021/cm900773v PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 502LO UT WOS:000270461700010 ER PT J AU Gupta, G Slanac, DA Kumar, P Wiggins-Camacho, JD Wang, XQ Swinnea, S More, KL Dai, S Stevenson, KJ Johnston, KP AF Gupta, Gaurav Slanac, Daniel A. Kumar, Pavan Wiggins-Camacho, Jaclyn D. Wang, Xiqing Swinnea, Steven More, Karren L. Dai, Sheng Stevenson, Keith J. Johnston, Keith P. TI Highly Stable and Active Pt-Cu Oxygen Reduction Electrocatalysts Based on Mesoporous Graphitic Carbon Supports SO CHEMISTRY OF MATERIALS LA English DT Article ID MEMBRANE FUEL-CELLS; SHELL NANOPARTICLE ELECTROCATALYSTS; CO-AU ELECTROCATALYSTS; PARTICLE-SIZE; BIMETALLIC NANOPARTICLES; DURABILITY ENHANCEMENT; PLATINUM CATALYSTS; ALLOY CATALYSTS; FE ALLOYS; SURFACE AB The activity of oxygen reduction catalysts for fuel cells often decreases markedly (30-70%) during potential cycling tests designed to accelerate catalyst degradation. Herein we achieved essentially no loss in electrochemical surface area and catalyst activity during potential cycling from 0.5 to 1.2 V for presynthesized Pt-Cu nanoparticles of controlled composition that were infused into highly graphitic disordered mesoporous carbons (DMC). The high stability is favored by the strong metal-support interactions and low tendency for carbon oxidation, which mitigates the mechanisms of degradation. Electrochemical dealloying transforms the composition from Pt20Cu80 to Pt85Cu15 with a strained Pt-rich shell, which exhibits an enhanced ORR activity of 0.46 A/mg(Pt), > 4 fold that of pure Pt catalysts. The high uniformity in particle size and composition both before and after dealloying, as a consequence of the presynthesis/infusion technique, is beneficial For elucidating the mechanism of catalyst activity and, ultimately, for designing more active catalysts. C1 [Gupta, Gaurav; Slanac, Daniel A.; Kumar, Pavan; Wiggins-Camacho, Jaclyn D.; Swinnea, Steven; Stevenson, Keith J.; Johnston, Keith P.] Univ Texas Austin, Austin, TX 78712 USA. [Wang, Xiqing; More, Karren L.; Dai, Sheng] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Johnston, KP (reprint author), Univ Texas Austin, 1 Univ Stn C0400, Austin, TX 78712 USA. EM kpj@che.utexas.edu RI Wang, Xiqing/E-3062-2010; More, Karren/A-8097-2016; Dai, Sheng/K-8411-2015 OI Wang, Xiqing/0000-0002-1843-008X; More, Karren/0000-0001-5223-9097; Dai, Sheng/0000-0002-8046-3931 FU National Science Foundation [CHE-9876674]; Department of Energy Office of Basic Energy Sciences; Robert A. Welch Foundation [F-1319, F-1529] FX This material is based on work supported in part by the STC Program of the National Science Foundation under Agreement CHE-9876674, the Department of Energy Office of Basic Energy Sciences, and the Robert A. Welch Foundation (F-1319 and F-1529). NR 74 TC 76 Z9 76 U1 11 U2 81 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD OCT 13 PY 2009 VL 21 IS 19 BP 4515 EP 4526 DI 10.1021/cm901203n PG 12 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 502LO UT WOS:000270461700024 ER PT J AU Zhang, F Wong, SS AF Zhang, Fen Wong, Stanislaus S. TI Controlled Synthesis of Semiconducting Metal Sulfide Nanowires SO CHEMISTRY OF MATERIALS LA English DT Review ID PHOTOCATALYTIC HYDROGEN-PRODUCTION; ONE-DIMENSIONAL NANOSTRUCTURES; DIFFUSION-LIMITED AGGREGATION; DC ELECTROCHEMICAL DEPOSITION; ROOM-TEMPERATURE SYNTHESIS; ALUMINUM-OXIDE TEMPLATES; SINGLE-SOURCE PRECURSORS; ONE-POT SYNTHESIS; PBS QUANTUM DOTS; CDS THIN-FILMS AB We describe the preparation and characterization of (a) discrete, individual motifs and (b) arrays of crystalline and pure semiconducting transition metal sulfide (CuS, PbS, and CdS) nanowires, synthesized via an inexpensive, generalizable, simplistic, and ambient modified template-directed technique. We have demonstrated control over the diameters and lengths of our one-dimensional (1-D) nanostructures through corresponding variations in the template membrane's pore size and thickness. We have not only successfully generated cubic-phase 1-D CdS nanowires but also produced, at slightly elevated temperatures, unusual CdS cactus-like, hierarchical nanostructures, consisting of tiny nanoneedles projecting out from the outer surfaces of parent CdS nanotube motifs. Opto-vibrational properties of all of these metal sulfide nanomaterials have been extensively studied. In addition, our results indicate that our as-prepared hexagonal-phase CdS cactus-like nanotubes evinced a higher photocatalytic degradation activity than that of both cubic CdS nanowires and their commercial bulk counterparts. C1 [Zhang, Fen; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM sswong@notes.cc.sunysb.edu RI Zhang, Fen/G-5015-2010 FU U.S. Department of Energy [DE-AC02-98CH 10886]; National Science Foundation [DMR-0348239]; Alfred P. Sloan Foundation FX We acknowledge the U.S. Department of Energy (DE-AC02-98CH 10886) for generous facility and personnel support. We also thank the National Science Foundation (CAREER Award DMR-0348239) and the Alfred P. Sloan Foundation for PI support and experimental Supplies. Moreover, we are grateful to Dr. Dezhi Wang at Boston College, as well as Dr. James Quinn and Dr. Susan van Horn at SUNY Stony Brook for their invaluable help with electron microscopy. We appreciate the assistance of Dr. Mandakini Kanungo with Raman analyses. NR 133 TC 103 Z9 104 U1 22 U2 200 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD OCT 13 PY 2009 VL 21 IS 19 BP 4541 EP 4554 DI 10.1021/cm901492f PG 14 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 502LO UT WOS:000270461700026 ER PT J AU Ubic, R Subodh, G Gout, D Sebastian, MT Proffen, T AF Ubic, Rick Subodh, Ganesanpotti Gout, Delphine Sebastian, Mailadil T. Proffen, Thomas TI Crystal Structure of Sr0.4Ce0.4TiO3 Ceramics SO CHEMISTRY OF MATERIALS LA English DT Article ID MICROWAVE DIELECTRIC-PROPERTIES; NEUTRON POWDER DIFFRACTION; HOMOLOGOUS SERIES; PHASE-TRANSITION; TEMPERATURE; PEROVSKITES; LACOO3 AB A cerium-doped SrTiO3 compound with the composition Sr0.4Ce0.4TiO3 has been produced by conventional solid-state processing. The structure of this compound was analyzed by X-ray, electron, and neutron diffraction. While no superlattice can be observed via X-ray diffraction, both electron and neutron diffraction show evidence of a noncubic supercell caused by antiphase tilting of oxygen octahedra. The most likely space group is C2/c, corresponding to an a(-)b(-)b(-) tilt system. Octahedra are tilted by similar to 5 degrees about the pseudo-cubic a-axis and similar to 1.5 degrees about the pseudo-cubic b- and c-axes. C1 [Ubic, Rick] Boise State Univ, Dept Mat Sci & Engn, Coll Engn, Boise, ID 83725 USA. [Subodh, Ganesanpotti; Sebastian, Mailadil T.] Inst Interdisciplinary Sci & Technol, Mat & Minerals Div, Trivandrum 695019, Kerala, India. [Gout, Delphine] Forschungszentrum Julich, Julich Ctr Neutron Sci SNS, D-52425 Julich, Germany. [Gout, Delphine] Oak Ridge Natl Lab, Oak Ridge, TN 38371 USA. [Proffen, Thomas] Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. RP Ubic, R (reprint author), Boise State Univ, Dept Mat Sci & Engn, Coll Engn, Boise, ID 83725 USA. EM RickUbic@BosieState.edu RI Lujan Center, LANL/G-4896-2012; SEBASTIAN, Mailadil/C-2818-2009; TVM, NIIST/E-5132-2012; ganesanpotti, Subodh/N-9831-2013; Proffen, Thomas/B-3585-2009 OI SEBASTIAN, Mailadil/0000-0003-4039-8685; TVM, NIIST/0000-0002-5814-466X; ganesanpotti, Subodh/0000-0002-6784-094X; Proffen, Thomas/0000-0002-1408-6031 FU National Science Foundation [0521315]; U.S. Department of Energy FX This work has been supported by the National Science Foundation through the Major Research Instrumentation Program, Award No. 0521315. In addition, work at the Los Alamos Neutron Science Center's Lujan Neutron Scattering Center was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 25 TC 11 Z9 11 U1 1 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD OCT 13 PY 2009 VL 21 IS 19 BP 4706 EP 4710 DI 10.1021/cm9018698 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 502LO UT WOS:000270461700045 ER PT J AU Liang, CD Dudney, NJ Howe, JY AF Liang, Chengdu Dudney, Nancy J. Howe, Jane Y. TI Hierarchically Structured Sulfur/Carbon Nanocomposite Material for High-Energy Lithium Battery SO CHEMISTRY OF MATERIALS LA English DT Article ID LI/S SECONDARY BATTERY; SULFUR ELECTRODE; MESOPOROUS CARBONS; ELECTROCHEMICAL PERFORMANCE; LIQUID ELECTROLYTE; BLOCK-COPOLYMERS; COMPOSITE; CATHODE; CELL AB We report herein a hierarchically structured sulfur-carbon (S/C) nanocomposite material as the high surface-area cathode for rechargeable lithium batteries. A porous carbon with a uniform distribution of mesopores of 7.3 nm has been synthesized through a soft-template synthesis method. The potassium hydroxide activation of this mesoporous carbon results in a bimodal porous carbon with added microporosity of less than 2 nm to the existing mesopores without deterioration of the integrity of the original mesoporous carbon. Elemental sulfur has been loaded to the micropores through a solution infiltration method. The resulted S/C composites with various loading level or sulfur have a high surface areas and large internal porosities. These materials have been tested as novel cathodes for Li/S batteries. The results show that the cyclability and the utilization of sulfur in the Li/S batteries have been significantly improved. The large internal porosity and Surface area of the micromesoporous carbon is essential for the high utilization of sulfur. C1 [Liang, Chengdu] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Dudney, Nancy J.; Howe, Jane Y.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Liang, CD (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM liangcn@ornl.gov RI Howe, Jane/G-2890-2011; Liang, Chengdu/G-5685-2013; Dudney, Nancy/I-6361-2016 OI Dudney, Nancy/0000-0001-7729-6178 FU Oak Ridge National Laboratory [S08-027]; U.S. Department of Energy FX The authors thank the Oak Ridge National Laboratory for the financial support through a laboratory-directed research and development Grant S08-027. The synthesis and structural characterization of the bimodal porous materials and the S/C composites were conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scicntific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. C.D.L. thanks M. D. Pawel for proofreading the manuscript. NR 30 TC 506 Z9 525 U1 71 U2 558 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD OCT 13 PY 2009 VL 21 IS 19 BP 4724 EP 4730 DI 10.1021/cm902050j PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 502LO UT WOS:000270461700048 ER PT J AU Nyman, M Rodriguez, MA Rohwer, LES Martin, JE Waller, M Osterloh, FE AF Nyman, May Rodriguez, Mark A. Rohwer, Lauren E. S. Martin, James E. Waller, Mollie Osterloh, Frank E. TI Unique LaTaO4 Polymorph for Multiple Energy Applications SO CHEMISTRY OF MATERIALS LA English DT Article ID LUMINESCENT PROPERTIES; PHOTOCATALYTIC PROPERTY; PEROVSKITE NANOSHEETS; CRYSTAL-STRUCTURE; RBLNTA(2)O(7) LN; LA; SM; NIOBATES; ION; PHOTOLUMINESCENCE AB Rare-earth niobate and tantalate (RE-Nb/Ta) materials are of considerable interest in environmental and energy-related applications that include phosphors for solid-state lighting, photocatalysts for both contaminant degeneration and H-2 generation, chemically robust hosts for nuclear materials and wastes, and ion conductors for lithium batteries or solid-oxide fuel cells. However, the chemically inert nature limits the synthetic routes available to obtain these materials, which in turn hampers the discovery and development of new RE-Nb/Ta phases. Of the simple orthotantalate, LaTaO4, there were three polymorphs known prior. With this paper, we present the structural characterization (from high-resolution X-ray powder diffraction data collected at the APS II-BM line) of a fourth polymorph. It is obtained only from dehydration of La2Ta2O7(OH)(2), Which is in turn synthesized hydrothermally. The structure of the new LaTaO4 Polymorph is distinctive from the others in the arrangement of the alternating La-O polyhedra layers and TaO6 octahedra layers. Luminescence measurements (Eu-doped) and photocatalysis studies of the new LaTaO4 polymorph, and comparison to the performance of a previously described LaTaO4 polymorph reveals enhanced performance of the new polymorph in both applications. This study illustrates the relevance of form-function relationships in solid-state materials, as well as the important role of synthesis in the development of advanced functional materials. C1 [Nyman, May; Rodriguez, Mark A.; Rohwer, Lauren E. S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Waller, Mollie; Osterloh, Frank E.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. RP Nyman, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mdnyman@sandia.gov OI Osterloh, Frank /0000-0002-9288-3407 FU Sandia National Laboratories; United States Department of Energy National Energy Technology Laboratory [DE-PS26-06NT42942]; National Science Foundation [CBET 0829142]; United States Department of Energy [DE-AC04-94AL85000] FX The SNL authors acknowledge Sandia National Laboratories' LDRD program and United States Department of Energy National Energy Technology Laboratory (DE-PS26-06NT42942) for support for this work. F.E. Osterloh thanks the National Science Foundation for supporting this work with an 'Energy for Sustainability Grant' (CBET 0829142). Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. We thank Lynn Ribaud at APS for his help with specimen preparation, data collection, and file formatting. NR 38 TC 35 Z9 35 U1 3 U2 57 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD OCT 13 PY 2009 VL 21 IS 19 BP 4731 EP 4737 DI 10.1021/cm9020645 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 502LO UT WOS:000270461700049 ER PT J AU Yoon, H Oostrom, M Wietsma, TW Werth, CJ Valocchi, AJ AF Yoon, Hongkyu Oostrom, Mart Wietsma, Thomas W. Werth, Charles J. Valocchi, Albert J. TI Numerical and experimental investigation of DNAPL removal mechanisms in a layered porous medium by means of soil vapor extraction SO JOURNAL OF CONTAMINANT HYDROLOGY LA English DT Article DE Soil Vapor Extraction (SVE); Flow cell; DNAPL; STOMP; Multiphase ID NONAQUEOUS PHASE LIQUID; GOVERNING MULTIPHASE FLOW; CARBON-TETRACHLORIDE; MASS-TRANSFER; WATER-CONTENT; HANFORD SITE; VADOSE ZONE; MODEL; SYSTEMS; AIR AB The purpose of this work is to identify the mechanisms that govern the removal of carbon tetrachloride (CT) during soil vapor extraction (SVE) by comparing numerical and analytical model simulations with a detailed data set from a well-defined intermediate-scale flow cell experiment. The flow cell was packed with a fine-grained sand layer embedded in a coarse-rained sand matrix. A total of 499 mL CT was injected at the top of the flow cell and allowed to redistribute in the variably saturated system. A dual-energy gamma radiation system was used to determine the initial NAPL saturation profile in the fine-grained sand layer. Gas concentrations at the outlet of the flow cell and 15 sampling ports inside the flow cell were measured during subsequent CT removal using SVE. Results show that CT mass was removed quickly in coarse-grained sand, followed by a slow removal from the fine-grained sand layer. Consequently, effluent gas concentrations decreased quickly at first, and then started to decrease gradually, resulting in long-term tailing. The long-term tailing was mainly due to diffusion from the fine-grained sand layer to the coarse-grained sand zone. An analytical solution for a one-dimensional advection and a first-order mass transfer model matched the tailing well with two fitting parameters. Given detailed knowledge of the permeability field and initial CT distribution. we were also able to predict the effluent concentration tailing and gas concentration profiles at sampling ports using a numerical simulator assuming equilibrium CT evaporation. The numerical model predictions were accurate within the uncertainty of independently measured or literature derived parameters. This study demonstrates that proper numerical modeling of CT removal through SVE can be achieved using equilibrium evaporation of NAPL if detailed fine-scale knowledge of the CT distribution and physical heterogeneity is incorporated into the model. However, CT removal could also be fit by a first-order mass transfer analytical model, potentially leading to an erroneous conclusion that the long-term tailing in the experiment was kinetically controlled due to rate-limited NAPL evaporation. (C) 2009 Elsevier B.V. All rights reserved. C1 [Yoon, Hongkyu; Werth, Charles J.; Valocchi, Albert J.] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA. [Oostrom, Mart] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. [Wietsma, Thomas W.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. RP Werth, CJ (reprint author), Univ Illinois, Dept Civil & Environm Engn, 205 N Mathews Ave, Urbana, IL 61801 USA. EM werth@illinois.edu FU Office of Science (BER); U.S. Department of Energy [DE-FG02-06ER64207]; Battelle Memorial Institute for the Department of Energy (DOE) [DE-AC06-76RLO 1830] FX This work was primarily supported by the Office of Science (BER), U.S. Department of Energy - Environmental Remediation Sciences Program (ERSP), Grant No. DE-FG02-06ER64207. The intermediate-scale experiment was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. PNNL is operated by the Battelle Memorial Institute for the Department of Energy (DOE) under Contract DE-AC06-76RLO 1830. Funding for M. Oostrom and T.W. Wietsma was provided by the U.S. Department of Energy through Fluor Hanford, Inc., Richland, Washington as part of the Remediation and Closure Science Project Scientists interested in conducting experimental work in the EMSL are encouraged to contact M. Oostrom (matt. oostrom@pnl.gov). NR 43 TC 8 Z9 11 U1 7 U2 36 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-7722 EI 1873-6009 J9 J CONTAM HYDROL JI J. Contam. Hydrol. PD OCT 13 PY 2009 VL 109 IS 1-4 BP 1 EP 13 DI 10.1016/j.jconhyd.2009.07.001 PG 13 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA 513ON UT WOS:000271332500001 PM 19720427 ER PT J AU Jin, JZ Wu, JZ Frischknecht, AL AF Jin, Jiezhu Wu, Jianzhong Frischknecht, Amalie L. TI Modeling Microscopic Morphology and Mechanical Properties of Block Copolymer/Nanoparticle Composites SO MACROMOLECULES LA English DT Article ID COPOLYMER-NANOPARTICLE COMPOSITES; CUBIC PHASES; NANOCOMPOSITES; SIMULATION; MIXTURES; BEHAVIOR; MELTS AB The morphology of block copolymer and nanoparticle composites depends not only on the copolymer architecture but also on the Surface energy, geometry, and volume fraction of the embedding nanoparticles. Toward a quantitative description of the composite structure and associated thermo-mechanical properties from a molecular perspective, we examined the performance of a nonlocal density functional theory that accounts for the excluded-volume effects and intra- and inter-chain correlations self-consistently. It is predicted that, within the lamellar structures of symmetric block copolymers, neutral particles are localized at the microdomain interface, leading to a reduction of the lamellar thickness. Conversely, particles that are energetically biased to a particular microdomain expand the block copolymer lamellar structure. The dilation or shrinkage of the lamellar thickness also depends on the particle packing density. Both particle dispersion and particle-polymer interfacial structure are highly sensitive to the ratio of the particle diameter to the lamellar thickness. While small nanoparticles may either increase or reduce the extensional moduli of the composite material depending on the nanoparticle volume fraction and polymer-particle interactions, large particles always enhance the mechanical properties regardless of the polyrner-particle interactions. The theoretical predictions are found to be in qualitative agreement with simulation results and experiments. C1 [Jin, Jiezhu; Wu, Jianzhong] Univ Calif Riverside, Dept Chem & Environm Engn, Riverside, CA 92521 USA. [Frischknecht, Amalie L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wu, JZ (reprint author), Univ Calif Riverside, Dept Chem & Environm Engn, Riverside, CA 92521 USA. EM jwu@engr.ucr.edu RI Wu, Jianzhong/I-5164-2013; Frischknecht, Amalie/N-1020-2014; OI Frischknecht, Amalie/0000-0003-2112-2587; Wu, Jianzhong/0000-0002-4582-5941 FU U.S. Department of Energy [DE-FG02-06ER46296, DE-AC03-76SF0009, DE-AC52-06NA25396, DE-AC04-94AL85000] FX This research is sponsored by the U.S. Department of Energy (DE-FG02-06ER46296) and uses the computational resources from the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC03-76SF0009. This work was also performed in part at the US Department of Energy, Center for Integrated Nanotechnologies, at Los Alamos National Laboratory (Contract DE-AC52-06NA25396) and Sandia National Laboratories (Contract DE-AC04-94AL85000) NR 29 TC 11 Z9 11 U1 1 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD OCT 13 PY 2009 VL 42 IS 19 BP 7537 EP 7544 DI 10.1021/ma9006686 PG 8 WC Polymer Science SC Polymer Science GA 502LN UT WOS:000270461600040 ER PT J AU Welch, PM Welch, CF AF Welch, Paul M. Welch, Cynthia F. TI Tecto-Dendrimers: A Study of Covalently Bound Nanospheres SO MACROMOLECULES LA English DT Article ID CORE-SHELL TECTO(DENDRIMERS); ATOMIC-FORCE MICROSCOPY; BUILDING-BLOCKS; SIMULATION; MOLECULES; POLYMERS; DELIVERY; QUALITY; SPHERES; SYSTEM AB We present a computational and theoretical study of the size, shape, and solution properties of tecto-dendrimers. This class of polymer, composed of a central dendrimer with multiple dendrimers attached at its periphery, holds promise for multidrug delivery and environmental remediation applications. We find (i) that the maximum number of tecto-units that may be attached to the central core varies logarithmically with the ratio of the sizes of the component dendrimers, (ii) that the total density profiles display a minimum near the junction of the tecto-units with the core, (iii) that a simple expression captures the radius or gyration for a wide range of topologies, (iv) that the intrinsic viscosity displays a maximum as a function of the number of tecto-units attached, and (v) that the sphericity increases with increasing number of attached tecto-units. These results support the notion that the dendritic components can be viewed as independent building blocks for multifunctional devices. C1 [Welch, Paul M.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Welch, PM (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM pwelch@lanl.gov OI Welch, Cynthia/0000-0002-4638-6434; Welch, Paul/0000-0001-5614-2065 FU U.S. Department of Energy [DE-AC52-06NA25396, SCFY081004] FX This work was carried out under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract DE-AC52-06NA25396. Financial support provided by the U.S. Department of Energy Office of Biological and Environmental Research under Proposal SCFY081004. NR 36 TC 5 Z9 5 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD OCT 13 PY 2009 VL 42 IS 19 BP 7571 EP 7578 DI 10.1021/ma901157y PG 8 WC Polymer Science SC Polymer Science GA 502LN UT WOS:000270461600044 ER PT J AU Jagust, WJ Landau, SM Shaw, LM Trojanowski, JQ Koeppe, RA Reiman, EM Foster, NL Petersen, RC Weiner, MW Price, JC Mathis, CA AF Jagust, W. J. Landau, S. M. Shaw, L. M. Trojanowski, J. Q. Koeppe, R. A. Reiman, E. M. Foster, N. L. Petersen, R. C. Weiner, M. W. Price, J. C. Mathis, C. A. CA Alzheimer's Dis Neuroimaging Initi TI Relationships between biomarkers in aging and dementia SO NEUROLOGY LA English DT Article ID MILD COGNITIVE IMPAIRMENT; POSITRON-EMISSION-TOMOGRAPHY; PHOSPHORYLATED TAU-PROTEIN; PITTSBURGH COMPOUND-B; ALZHEIMERS-DISEASE; CEREBROSPINAL-FLUID; AMYLOID DEPOSITION; CLINICAL-DIAGNOSIS; GLUCOSE-METABOLISM; PET AB Background: PET imaging using [(18)F]fluorodeoxyglucose (FDG) and [(11)C]Pittsburgh compound B (PIB) have been proposed as biomarkers of Alzheimer disease (AD), as have CSF measures of the 42 amino acid beta-amyloid protein (A beta(1-42)) and total and phosphorylated tau (t-tau and p-tau). Relationships between biomarkers and with disease severity are incompletely understood. Methods: Ten subjects with AD, 11 control subjects, and 34 subjects with mild cognitive impairment from the Alzheimer's Disease Neuroimaging Initiative underwent clinical evaluation; CSF measurement of A beta(1-42), t-tau, and p-tau; and PIB-PET and FDG-PET scanning. Data were analyzed using continuous regression and dichotomous outcomes with subjects classified as "positive" or "negative" for AD based on cutoffs established in patients with AD and controls from other cohorts. Results: Dichotomous categorization showed substantial agreement between PIB-PET and CSF A beta(1-42) measures (91% agreement, kappa = 0.74), modest agreement between PIB-PET and p-tau (76% agreement, kappa = 0.50), and minimal agreement for other comparisons (kappa < 0.3). Mini-Mental State Examination score was significantly correlated with FDG-PET but not with PIB-PET or CSF A beta(1-42). Regression models adjusted for diagnosis showed that PIB-PET was significantly correlated with A beta(1-42), t-tau, and p-tau(181p), whereas FDG-PET was correlated only with A beta(1-42). Conclusions: PET and CSF biomarkers of A beta agree with one another but are not related to cognitive impairment. [(18)F]fluorodeoxyglucose-PET is modestly related to other biomarkers but is better related to cognition. Different biomarkers for Alzheimer disease provide different information from one another that is likely to be complementary. Neurology (R) 2009; 73: 1193-1199 C1 [Jagust, W. J.; Landau, S. M.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94620 USA. [Jagust, W. J.; Landau, S. M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94620 USA. [Shaw, L. M.; Trojanowski, J. Q.] Univ Penn, Sch Med, Dept Pathol & Lab Med, Inst Aging,Ctr Neurodegenerat Dis Res, Philadelphia, PA 19104 USA. [Koeppe, R. A.] Univ Michigan, Dept Radiol, Div Nucl Med, Ann Arbor, MI 48109 USA. [Reiman, E. M.] Banner Alzheimers Inst, Phoenix, AZ USA. [Reiman, E. M.] Banner Good Samaritan PET Ctr, Phoenix, AZ USA. [Foster, N. L.] Univ Utah, Ctr Alzheimers Care Imaging & Res, Salt Lake City, UT USA. [Foster, N. L.] Univ Utah, Dept Neurol, Salt Lake City, UT USA. [Petersen, R. C.] Mayo Clin, Dept Neurol, Coll Med, Rochester, MN USA. [Weiner, M. W.] Ctr Imaging Neurodegenerat Dis, Dept Vet Affairs Med Ctr, San Francisco, CA USA. [Price, J. C.; Mathis, C. A.] Univ Pittsburgh, Dept Radiol, Pittsburgh, PA 15260 USA. RP Jagust, WJ (reprint author), Univ Calif Berkeley, Helen Wills Neurosci Inst, 132 Barker Hall, Berkeley, CA 94620 USA. EM jagust@berkeley.edu RI Scharre, Douglas/E-4030-2011 FU NIH [AG024904, AG027859] FX Supported by NIH grants AG024904 and AG027859. NR 31 TC 226 Z9 227 U1 2 U2 12 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0028-3878 J9 NEUROLOGY JI Neurology PD OCT 13 PY 2009 VL 73 IS 15 BP 1193 EP 1199 DI 10.1212/WNL.0b013e3181bc010c PG 7 WC Clinical Neurology SC Neurosciences & Neurology GA 505OQ UT WOS:000270704000006 PM 19822868 ER PT J AU Chorin, AJ Tu, XM AF Chorin, Alexandre J. Tu, Xuemin TI Implicit sampling for particle filters SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE pseudo-Gaussian; Jacobian; chainless sampling ID MONTE-CARLO; MODELS AB We present a particle-based nonlinear filtering scheme, related to recent work on chainless Monte Carlo, designed to focus particle paths sharply so that fewer particles are required. The main features of the scheme are a representation of each new probability density function by means of a set of functions of Gaussian variables (a distinct function for each particle and step) and a resampling based on normalization factors and Jacobians. The construction is demonstrated on a standard, ill-conditioned test problem. C1 [Chorin, Alexandre J.] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Chorin, AJ (reprint author), Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. EM chorin@math.berkeley.edu RI Tu, Xuemin/D-9928-2011 FU U. S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [DMS-0705910] FX We thank Prof. G. I. Barenblatt, Prof. R. Kupferman, Prof. R. Miller, and Dr. J. Weare for asking searching questions and providing good advice, and most particularly, Prof. J. Goodman, who read the manuscript carefully and pointed out areas that needed work. This work was supported in part by U. S. Department of Energy Contract No. DE-AC02-05CH11231 and by the National Science Foundation Grant DMS-0705910. NR 21 TC 51 Z9 52 U1 0 U2 12 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD OCT 13 PY 2009 VL 106 IS 41 BP 17249 EP 17254 DI 10.1073/pnas.0909196106 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 506DS UT WOS:000270754400007 PM 19805147 ER PT J AU Ishizaki, A Fleming, GR AF Ishizaki, Akihito Fleming, Graham R. TI Theoretical examination of quantum coherence in a photosynthetic system at physiological temperature SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE photosynthesis; electronic energy transfer; quantum dynamics ID 2-DIMENSIONAL ELECTRONIC SPECTROSCOPY; GREEN SULFUR BACTERIA; FMO ANTENNA COMPLEXES; ENERGY-TRANSFER; CHLOROBIUM-TEPIDUM; BACTERIOCHLOROPHYLL PROTEIN; ROOM-TEMPERATURE; DYNAMICS; RELAXATION AB The observation of long-lived electronic coherence in a photosynthetic pigment-protein complex, the Fenna-Matthews-Olson (FMO) complex, is suggestive that quantum coherence might play a significant role in achieving the remarkable efficiency of photosynthetic electronic energy transfer (EET), although the data were acquired at cryogenic temperature [Engel GS, et al. (2007) Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems. Nature 446: 782-786]. In this paper, the spatial and temporal dynamics of EET through the FMO complex at physiological temperature are investigated theoretically. The numerical results reveal that quantum wave-like motion persists for several hundred femtoseconds even at physiological temperature, and suggest that the FMO complex may work as a rectifier for unidirectional energy flow from the peripheral light-harvesting antenna to the reaction center complex by taking advantage of quantum coherence and the energy landscape of pigments tuned by the protein scaffold. A potential role of quantum coherence is to overcome local energetic traps and aid efficient trapping of electronic energy by the pigments facing the reaction center complex. C1 [Ishizaki, Akihito; Fleming, Graham R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Ishizaki, Akihito; Fleming, Graham R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Fleming, GR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM grfleming@lbl.gov RI Ishizaki, Akihito/A-7069-2010 OI Ishizaki, Akihito/0000-0002-0246-4461 FU U. S. Department of Energy [DE-AC02-05CH11231, DE-AC03-76SF000098]; Japan Society for the Promotion of Science FX We thank Yuan-Chung Cheng, Tae Kyu Ahn, Thomas Renger, and Alan Aspuru-Guzik for insightful discussions and critical reading of the manuscript. This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy under Contract. DE-AC02-05CH11231 and by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, U. S. Department of Energy under contract DE-AC03-76SF000098. A. I. was supported by Postdoctoral Fellowship for Research Abroad by the Japan Society for the Promotion of Science. NR 44 TC 427 Z9 431 U1 6 U2 87 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD OCT 13 PY 2009 VL 106 IS 41 BP 17255 EP 17260 DI 10.1073/pnas.0908989106 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 506DS UT WOS:000270754400008 PM 19815512 ER PT J AU Chen, K Liu, J Heck, S Chasis, JA An, XL Mohandas, N AF Chen, Ke Liu, Jing Heck, Susanne Chasis, Joel A. An, Xiuli Mohandas, Narla TI Resolving the distinct stages in erythroid differentiation based on dynamic changes in membrane protein expression during erythropoiesis SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE CD44; CD71; erythroblast differentiation; cell adhesion; erythrocyte ID RED-CELL MEMBRANE; RETICULOCYTE MATURATION; ASYNCHRONOUS SYNTHESIS; TRANSFERRIN RECEPTOR; UNEQUAL SYNTHESIS; ALPHA-SPECTRIN; BETA-SPECTRIN; BLOOD-CELLS; ERYTHROBLASTS; SKELETON AB Erythropoiesis is the process by which nucleated erythroid progenitors proliferate and differentiate to generate, every second, millions of nonnucleated red cells with their unique discoid shape and membrane material properties. Here we examined the time course of appearance of individual membrane protein components during murine erythropoiesis to throw new light on our understanding of the evolution of the unique features of the red cell membrane. We found that the accumulation of all of the major transmembrane and all skeletal proteins of the mature red blood cell, except actin, accrued progressively during terminal erythroid differentiation. At the same time, and in marked contrast, accumulation of various adhesion molecules decreased. In particular, the adhesion molecule, CD44 exhibited a progressive and dramatic decrease from proerythroblast to reticulocyte; this enabled us to devise a new strategy for distinguishing unambiguously between erythroblasts at successive developmental stages. These findings provide unique insights into the genesis of red cell membrane function during erythroblast differentiation and also offer a means of defining stage-specific defects in erythroid maturation in inherited and acquired red cell disorders and in bone marrow failure syndromes. C1 [Chen, Ke; Liu, Jing; An, Xiuli; Mohandas, Narla] New York Blood Ctr, Red Cell Physiol Lab, New York, NY 10065 USA. [Chasis, Joel A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [An, Xiuli] Peking Univ, Hlth Sci Ctr, Dept Biophys, Beijing 100191, Peoples R China. RP An, XL (reprint author), New York Blood Ctr, Red Cell Physiol Lab, New York, NY 10065 USA. EM xan@nybloodcenter.org FU NIDDK NIH HHS [R01 DK082722] NR 37 TC 152 Z9 153 U1 2 U2 17 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD OCT 13 PY 2009 VL 106 IS 41 BP 17413 EP 17418 DI 10.1073/pnas.0909296106 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 506DS UT WOS:000270754400036 PM 19805084 ER PT J AU Ahlers, S Stone, PR Sircar, N Arenholz, E Dubon, OD Bougeard, D AF Ahlers, S. Stone, P. R. Sircar, N. Arenholz, E. Dubon, O. D. Bougeard, D. TI Comparison of the magnetic properties of GeMn thin films through Mn L-edge x-ray absorption SO APPLIED PHYSICS LETTERS LA English DT Article ID CIRCULAR-DICHROISM; MN5GE3 AB X-ray absorption spectroscopy of epitaxial GeMn thin films reveals an experimentally indistinguishable electronic configuration of Mn atoms incorporated in Ge1-xMnx nanoclusters and in precipitates of the intermetallic compound Mn5Ge3, respectively. However, the average magnetic response of thin films containing Ge1-xMnx nanoclusters is lower than the response of films containing Mn5Ge3 precipitates. This reduced magnetic response of Ge1-xMnx nanoclusters is explained in terms of a fraction of Mn atoms being magnetically inactive due to antiferromagnetic coupling or the presence of structural disorder. A determination of the role of magnetically inactive Mn atoms in the self-assembly of the thermodynamically metastable Ge1-xMnx nanoclusters seems to be an essential ingredient for an enhanced control of this promising high Curie temperature magnetic semiconductor. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3232245] C1 [Ahlers, S.; Sircar, N.; Bougeard, D.] Tech Univ Munich, Walter Schottky Inst, D-85748 Garching, Germany. [Stone, P. R.; Dubon, O. D.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Arenholz, E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Ahlers, S (reprint author), Tech Univ Munich, Walter Schottky Inst, Coulombwall 3, D-85748 Garching, Germany. EM bougeard@wsi.tum.de FU German Science Foundation (DFG) [SPP 1285]; U.S. Department of Energy [DE-AC02-05CH11231]; Alexander von HumboldtStiftung FX This work was funded by the German Science Foundation (DFG) via Schwerpunktprogramm SPP 1285 Halbleiter Spintronik and supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The authors acknowledge access to facilities of the Nanosystems Initiative Munich (NIM) and the Department of Chemistry, Technische Universitat Munchen, and support by M. Doblinger, T. F. Fassler, M. B. Boeddinghaus, R. Farshchi, and S. Tardif. P. R. S. is furthermore grateful for support from NSF and ND-SEG and D. B. for support by Alexander von HumboldtStiftung. NR 20 TC 12 Z9 12 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 12 PY 2009 VL 95 IS 15 AR 151911 DI 10.1063/1.3232245 PG 3 WC Physics, Applied SC Physics GA 508FU UT WOS:000270915700031 ER PT J AU Broesler, R Haller, EE Walukiewicz, W Muranaka, T Matsumoto, T Nabetani, Y AF Broesler, R. Haller, E. E. Walukiewicz, W. Muranaka, T. Matsumoto, T. Nabetani, Y. TI Temperature dependence of the band gap of ZnSe1-xOx SO APPLIED PHYSICS LETTERS LA English DT Article ID ALLOYS AB We have studied the temperature dependence of the band gap of molecular-beam-epitaxy-grown ZnSe1-xOx films (x=0-0.021) using photoluminescence spectroscopy from 15 to 280 K. The temperature dependence of the band gap decreases with increasing oxygen concentration, which can be quantitatively explained by an anticrossing interaction between the highly localized oxygen defect states and the extended states of the conduction band. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3242026] C1 [Broesler, R.; Haller, E. E.; Walukiewicz, W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Broesler, R.; Haller, E. E.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Muranaka, T.; Matsumoto, T.; Nabetani, Y.] Univ Yamanashi, Dept Elect Engn, Kofu, Yamanashi 4008511, Japan. RP Walukiewicz, W (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM w_walukiewicz@lbl.gov FU U.S. Department of Energy [DE-AC02-05CH11231] FX This work is supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 11 TC 21 Z9 21 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 12 PY 2009 VL 95 IS 15 AR 151907 DI 10.1063/1.3242026 PG 3 WC Physics, Applied SC Physics GA 508FU UT WOS:000270915700027 ER PT J AU Subramania, G Lee, YJ Fischer, AJ Luk, TS Brinker, CJ Dunphy, D AF Subramania, G. Lee, Y. -J. Fischer, A. J. Luk, T. S. Brinker, C. J. Dunphy, D. TI Emission modification of CdSe quantum dots by titanium dioxide visible logpile photonic crystal SO APPLIED PHYSICS LETTERS LA English DT Article ID LIGHT-EMISSION; NANOCAVITY; REDISTRIBUTION; LASER; GAP AB Air band modes of three-dimensional photonic crystals (3DPCs) have a higher photonic density of states, potentially enabling greater emission enhancement. However, it is challenging to introduce emitters into the "air" region without significantly disturbing the photonic band structure of the PC. Here, we overcome this difficulty by introducing a low refractive index aerogel matrix containing CdSe quantum dots (625 nm peak emission) into a titanium dioxide logpile PC. We observe that the aerogel infiltration indeed preserves the bandstructure. We measure an emission suppression of similar to 0.25 times inside and an enhancement of approximately three times outside the bandgap with only one vertical unit cell. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3245309] C1 [Subramania, G.; Lee, Y. -J.; Fischer, A. J.; Luk, T. S.; Brinker, C. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Dunphy, D.] Univ New Mexico, NSF, Dept Chem & Nucl Engn, Ctr Microengineered Mat, Albuquerque, NM 87131 USA. RP Subramania, G (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM gssubra@sandia.gov FU DOE Basic Energy Sciences Office; Sandia's LDRD office; U. S. DOE's NNSA [DE-AC04-94AL85000] FX The authors acknowledge the DOE Basic Energy Sciences Office and Sandia's LDRD office. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the U. S. DOE's NNSA under Contract No. DE-AC04-94AL85000. NR 22 TC 6 Z9 6 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 12 PY 2009 VL 95 IS 15 AR 151101 DI 10.1063/1.3245309 PG 3 WC Physics, Applied SC Physics GA 508FU UT WOS:000270915700001 ER PT J AU Zepeda-Ruiz, LA Chason, E Gilmer, GH Wang, YM Xu, HW Nikroo, A Hamza, AV AF Zepeda-Ruiz, Luis A. Chason, Eric Gilmer, George H. Wang, Yinmin Xu, Hongwei Nikroo, Abbas Hamza, Alex V. TI Understanding the relation between stress and surface morphology in sputtered films: Atomistic simulations and experiments SO APPLIED PHYSICS LETTERS LA English DT Article ID THIN-FILMS; 3 DIMENSIONS; GROWTH; COALESCENCE; DEPOSITION AB The relation between stress evolution and surface morphology during deposition of sputtered films is examined by combining kinetic Monte Carlo simulations and stress measurements. We find that the surface morphology is susceptible to an instability, which transforms from layer-by-layer growth to the formation of pillarlike columns. The gaps between these columns prevent complete densification and can lead to a network of pores in the layer. We propose that the formation of this structure changes the stress in the growing layers from compressive to tensile. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3246791] C1 [Zepeda-Ruiz, Luis A.; Gilmer, George H.; Wang, Yinmin; Hamza, Alex V.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Chason, Eric] Brown Univ, Div Engn, Providence, RI USA. [Xu, Hongwei; Nikroo, Abbas] Gen Atom Co, San Diego, CA 92121 USA. RP Zepeda-Ruiz, LA (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. EM zepedaruiz1@llnl.gov RI Wang, Yinmin (Morris)/F-2249-2010 OI Wang, Yinmin (Morris)/0000-0002-7161-2034 FU Office of Basic Energy Science [DE-AC52-07NA27344] FX This work was prepared by LLNL under Contract No. DE-AC52-07NA27344 with support from the Office of Basic Energy Science. NR 20 TC 14 Z9 14 U1 0 U2 23 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 12 PY 2009 VL 95 IS 15 AR 151910 DI 10.1063/1.3246791 PG 3 WC Physics, Applied SC Physics GA 508FU UT WOS:000270915700030 ER PT J AU Zhong, LH Matthews, JF Hansen, PI Crowley, MF Cleary, JM Walker, RC Nimlos, MR Brooks, CL Adney, WS Himmel, ME Brady, JW AF Zhong, Linghao Matthews, James F. Hansen, Peter I. Crowley, Michael F. Cleary, Joseph M. Walker, Ross C. Nimlos, Mark R. Brooks, Charles L., III Adney, William S. Himmel, Michael E. Brady, John W. TI Computational simulations of the Trichoderma reesei cellobiohydrolase I acting on microcrystalline cellulose I beta: the enzyme-substrate complex SO CARBOHYDRATE RESEARCH LA English DT Article DE Cellulase; Cellobiohydrolase I; Cellulose; Computer modeling; Molecular dynamics ID BINDING DOMAINS; ALANINE DIPEPTIDE; DYNAMICS; FORCE; SOLVENT; PROTEIN; CONTINUUM; EXPLICIT; MODULES; CHAIN AB Cellobiohydrolases are the dominant components of the commercially relevant Trichoderma reesei cellulase system. Although natural cellulases can totally hydrolyze crystalline cellulose to soluble sugars, the current enzyme loadings and long digestion times required render these enzymes less than cost effective for biomass conversion processes. It is clear that cellobiohydrolases must be improved via protein engineering to reduce processing costs. To better understand cellobiohydrolase function, new simulations have been conducted using CHARM of cellobiohydrolase I (CBH I) from T. reesei interacting with a model segment (cellodextrin) of a cellulose microfibril in which one chain from the substrate has been placed into the active site tunnel mimicking the hypothesized configuration prior to final substrate docking (i.e., the +1 and +2 sites are unoccupied), which is also the structure following a catalytic bond scission. No tendency was found for the protein to dissociate from or translate along the substrate surface during this initial simulation, nor to align with the direction of the cellulose chains. However, a tendency for the decrystallized cellodextrin to partially re-anneal into the cellulose surface hints that the arbitrary starting configuration selected was not ideal. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Zhong, Linghao; Matthews, James F.; Hansen, Peter I.; Brady, John W.] Cornell Univ, Dept Food Sci, Ithaca, NY 14853 USA. [Crowley, Michael F.; Cleary, Joseph M.; Nimlos, Mark R.; Adney, William S.; Himmel, Michael E.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Walker, Ross C.] San Diego Supercomp Ctr, La Jolla, CA 92093 USA. [Brooks, Charles L., III] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA. [Brooks, Charles L., III] Univ Michigan, Biophys Program, Ann Arbor, MI 48109 USA. [Zhong, Linghao] Penn State Univ, Mt Alto, PA 17237 USA. RP Brady, JW (reprint author), Cornell Univ, Dept Food Sci, Ithaca, NY 14853 USA. EM jwb7@cornell.edu RI crowley, michael/A-4852-2013 OI crowley, michael/0000-0001-5163-9398 FU U.S. DOE Office of Biological and Environmental Research and Office of Advanced Scientific Computing Research FX This work was supported under the SciDAC Program by the U.S. DOE Office of Biological and Environmental Research and the Office of Advanced Scientific Computing Research. The authors also thank R. H. Atalla, J. Sugiyama, G. T. Beckham, and D. B. Wilson, for helpful discussions. NR 30 TC 32 Z9 34 U1 1 U2 27 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0008-6215 J9 CARBOHYD RES JI Carbohydr. Res. PD OCT 12 PY 2009 VL 344 IS 15 BP 1984 EP 1992 DI 10.1016/j.carres.2009.07.005 PG 9 WC Biochemistry & Molecular Biology; Chemistry, Applied; Chemistry, Organic SC Biochemistry & Molecular Biology; Chemistry GA 509UG UT WOS:000271043300008 PM 19699474 ER PT J AU Wu, WJ Demar, P Crawford, M AF Wu, Wenji Demar, Phil Crawford, Matt TI Sorting Reordered Packets with Interrupt Coalescing SO COMPUTER NETWORKS LA English DT Article DE TCP; Packet reordering; Interrupt coalescing; Protocol stack; High performance networking ID TCP; PERFORMANCE; ROBUST AB TCP performs poorly in networks with serious packet reordering. Processing reordered packets in the TCP-layer is costly and inefficient, involving interaction of the sender and receiver. Motivated by the interrupt coalescing mechanism that delivers packets upward for protocol processing in blocks, we propose a new strategy, Sorting Reordered Packets with Interrupt Coalescing (SRPIC), to reduce packet reordering in the receiver. SRPIC works in the network device driver; it makes use of the interrupt coalescing mechanism to sort the reordered packets belonging to the same TCP stream in a block of packets before delivering them upward: each sorted block is internally ordered. Experiments have proven the effectiveness of SRPIC against forward path reordering. (C) 2009 Elsevier B.V. All rights reserved. C1 [Wu, Wenji; Demar, Phil; Crawford, Matt] Fermilab Natl Accelerator Lab, Comp Div, Fermilab MS120, Batavia, IL 60510 USA. RP Wu, WJ (reprint author), Fermilab Natl Accelerator Lab, Comp Div, Fermilab MS120, POB 500, Batavia, IL 60510 USA. EM wenji@fnal.gov; demar@fnal.gov; crawdad@fnal.gov NR 41 TC 9 Z9 9 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1389-1286 EI 1872-7069 J9 COMPUT NETW JI Comput. Netw. PD OCT 12 PY 2009 VL 53 IS 15 BP 2646 EP 2662 DI 10.1016/j.comnet.2009.05.012 PG 17 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA 497LA UT WOS:000270059500003 ER PT J AU Qian, X Chen, W Gao, H Hicks, K Kramer, K Laget, JM Mibe, T Stepanyan, S Tedeschi, DJ Xu, W Adhikari, KP Amaryan, M Anghinolfi, M Baghdasaryan, H Ball, J Battaglieri, M Batourine, V Bedlinskiy, I Bellis, M Biselli, AS Bookwalter, C Branford, D Briscoe, WJ Brooks, WK Burkert, VD Careccia, SL Carman, DS Cole, PL Collins, P Crede, V D'Angelo, A Daniel, A Dashyan, N De Vita, R De Sanctis, E Deur, A Dey, B Dhamija, S Dickson, R Djalali, C Dodge, GE Doughty, D Dupre, R Eugenio, P Fedotov, G Fegan, S Fersch, R Fradi, A Gabrielyan, MY Gilfoyle, GP Giovanetti, KL Girod, FX Goetz, JT Gohn, W Golovatch, E Gothe, RW Griffloenn, KA Guidal, M Guo, L Hafidi, K Hakobyan, H Hanretty, C Hassall, N Heddle, D Holtrop, M Hyde, CE Ilieva, Y Ireland, DG Ishkhanov, BS Isupov, EL Jawalkar, SS Johnstone, JR Joo, K Keller, D Khandaker, M Khetarpal, P Kim, W Klein, A Klein, FJ Kubarovsky, V Kuleshovz, SV Kuznetsov, V Livingston, K Lu, HY Martinez, D Mayer, M McCracken, ME McKinnon, B Meyer, CA Mineeva, T Mirazita, M Mokeev, V Moriya, K Morrison, B Munevar, E Nadel-Turonski, R Nasseripour, R Nepali, CS Niccolai, S Niculescu, G Niculescu, I Niroula, MR Osipenko, M Ostrovidov, AI Park, K Park, S Pasyuk, E Pereirav, SA Pisano, S Pogorelko, O Pozdniakov, S Price, JW Procureur, S Protopopescu, D Raue, BA Ricco, G Ripani, M Ritchie, BG Rosner, G Rossi, P Sabatie, F Saini, MS Salgado, C Schott, D Schumacher, RA Seraydaryan, H Sharabian, YG Smith, ES Sober, DI Sokhan, D Strakovsky, II Strauch, S Taiuti, M Tkachenko, S Ungaro, M Vineyard, MF Watts, DP Weinstein, LB Weygand, DP Williams, M Wolin, E Wood, MH Zana, L Zhang, J Zhao, B Zhao, ZW AF Qian, X. Chen, W. Gao, H. Hicks, K. Kramer, K. Laget, J. M. Mibe, T. Stepanyan, S. Tedeschi, D. J. Xu, W. Adhikari, K. P. Amaryan, M. Anghinolfi, M. Baghdasaryan, H. Ball, J. Battaglieri, M. Batourine, V. Bedlinskiy, I. Bellis, M. Biselli, A. S. Bookwalter, C. Branford, D. Briscoe, W. J. Brooks, W. K. Burkert, V. D. Careccia, S. L. Carman, D. S. Cole, P. L. Collins, P. Crede, V. D'Angelo, A. Daniel, A. Dashyan, N. De Vita, R. De Sanctis, E. Deur, A. Dey, B. Dhamija, S. Dickson, R. Djalali, C. Dodge, G. E. Doughty, D. Dupre, R. Eugenio, P. Fedotov, G. Fegan, S. Fersch, R. Fradi, A. Gabrielyan, M. Y. Gilfoyle, G. P. Giovanetti, K. L. Girod, F. X. Goetz, J. T. Gohn, W. Golovatch, E. Gothe, R. W. Griffloenn, K. A. Guidal, M. Guo, L. Hafidi, K. Hakobyan, H. Hanretty, C. Hassall, N. Heddle, D. Holtrop, M. Hyde, C. E. Ilieva, Y. Ireland, D. G. Ishkhanov, B. S. Isupov, E. L. Jawalkar, S. S. Johnstone, J. R. Joo, K. Keller, D. Khandaker, M. Khetarpal, P. Kim, W. Klein, A. Klein, F. J. Kubarovsky, V. Kuleshovz, S. V. Kuznetsov, V. Livingston, K. Lu, H. Y. Martinez, D. Mayer, M. McCracken, M. E. McKinnon, B. Meyer, C. A. Mineeva, T. Mirazita, M. Mokeev, V. Moriya, K. Morrison, B. Munevar, E. Nadel-Turonski, R. Nasseripour, R. Nepali, C. S. Niccolai, S. Niculescu, G. Niculescu, I. Niroula, M. R. Osipenko, M. Ostrovidov, A. I. Park, K. Park, S. Pasyuk, E. Pereirav, S. Anefalos Pisano, S. Pogorelko, O. Pozdniakov, S. Price, J. W. Procureur, S. Protopopescu, D. Raue, B. A. Ricco, G. Ripani, M. Ritchie, B. G. Rosner, G. Rossi, P. Sabatie, F. Saini, M. S. Salgado, C. Schott, D. Schumacher, R. A. Seraydaryan, H. Sharabian, Y. G. Smith, E. S. Sober, D. I. Sokhan, D. Strakovsky, I. I. Strauch, S. Taiuti, M. Tkachenko, S. Ungaro, M. Vineyard, M. F. Watts, D. P. Weinstein, L. B. Weygand, D. P. Williams, M. Wolin, E. Wood, M. H. Zana, L. Zhang, J. Zhao, B. Zhao, Z. W. TI The extraction of phi-N total cross section from d(gamma, pK(+)K(-))n CLAS Collaboration SO PHYSICS LETTERS B LA English DT Article ID LARGE MOMENTUM-TRANSFER; VECTOR-MESONS; PHOTOPRODUCTION; PROTON AB We report on the first measurement of the differential cross section of phi-meson photoproduction for the d(gamma, pK(+)K(-))n exclusive reaction channel. The experiment was performed using a tagged-photon beam and the CEBAF Large Acceptance Spectrometer (CLAS) at Jefferson Lab. A combined analysis using data from the d(gamma, pK(+)K(-))n channel and those from a previous publication on coherent phi production on the deuteron has been carried out to extract the phi - N total cross section, sigma(phi N). The extracted phi - N total cross section favors a value above 20 mb. This value is larger than the value extracted using vector-meson dominance models for phi photoproduction on the proton. (C) 2009 Elsevier B.V. All rights reserved. C1 [Qian, X.; Chen, W.; Gao, H.; Kramer, K.] Duke Univ, Durham, NC 27708 USA. [Hicks, K.; Mibe, T.; Daniel, A.; Keller, D.] Ohio Univ, Athens, OH 45701 USA. [Laget, J. M.; Ball, J.; Girod, F. X.; Procureur, S.; Sabatie, F.] CEA, Ctr Saclay, Irfu Serv Phys Nucl, F-91191 Gif Sur Yvette, France. [Laget, J. M.; Stepanyan, S.; Batourine, V.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Cole, P. L.; Deur, A.; Doughty, D.; Guo, L.; Heddle, D.; Joo, K.; Klein, F. J.; Kubarovsky, V.; Mokeev, V.; Raue, B. A.; Sharabian, Y. G.; Smith, E. S.; Weygand, D. P.; Wolin, E.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Tedeschi, D. J.; Djalali, C.; Gothe, R. W.; Ilieva, Y.; Lu, H. Y.; Nasseripour, R.; Park, K.; Strauch, S.; Wood, M. H.; Zhao, Z. W.] Univ S Carolina, Columbia, SC 29208 USA. [Xu, W.] MIT, Cambridge, MA 02139 USA. [Dupre, R.; Hafidi, K.] Argonne Natl Lab, Argonne, IL 60439 USA. [Collins, P.; Morrison, B.; Pasyuk, E.; Ritchie, B. G.] Arizona State Univ, Tempe, AZ 85287 USA. [Goetz, J. T.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Price, J. W.] Calif State Univ Dominguez Hills, Carson, CA 90747 USA. [Bellis, M.; Dey, B.; Dickson, R.; McCracken, M. E.; Meyer, C. A.; Moriya, K.; Schumacher, R. A.; Williams, M.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. [Klein, F. J.; Nadel-Turonski, R.; Sober, D. I.] Catholic Univ Amer, Washington, DC 20064 USA. [Doughty, D.; Heddle, D.] Christopher Newport Univ, Newport News, VA 23606 USA. [Gohn, W.; Joo, K.; Mineeva, T.; Ungaro, M.; Zhao, B.] Univ Connecticut, Storrs, CT 06269 USA. [Branford, D.; Sokhan, D.] Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. [Biselli, A. S.] Fairfield Univ, Fairfield, CT 06824 USA. [Dhamija, S.; Gabrielyan, M. Y.; Nasseripour, R.; Raue, B. A.; Schott, D.] Florida Int Univ, Miami, FL 33199 USA. [Bookwalter, C.; Crede, V.; Eugenio, P.; Hanretty, C.; Ostrovidov, A. I.; Park, S.; Saini, M. S.] Florida State Univ, Tallahassee, FL 32306 USA. [Briscoe, W. J.; Ilieva, Y.; Munevar, E.; Niccolai, S.; Niculescu, I.; Strakovsky, I. I.; Strauch, S.] George Washington Univ, Washington, DC 20052 USA. [Fegan, S.; Hassall, N.; Ireland, D. G.; Johnstone, J. R.; Livingston, K.; McKinnon, B.; Protopopescu, D.; Rosner, G.; Watts, D. P.] Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. [Cole, P. L.; Martinez, D.] Idaho State Univ, Pocatello, ID 83209 USA. [De Sanctis, E.; Mirazita, M.; Pereirav, S. Anefalos; Rossi, P.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Anghinolfi, M.; Battaglieri, M.; De Vita, R.; Golovatch, E.; Osipenko, M.; Ricco, G.; Ripani, M.; Taiuti, M.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [D'Angelo, A.] Ist Nazl Fis Nucl, Sez Roma Tor Vergata, I-00133 Rome, Italy. [Fradi, A.; Guidal, M.; Niccolai, S.; Pisano, S.] Inst Phys Nucl ORSAY, Orsay, France. [Bedlinskiy, I.; Kuleshovz, S. V.; Pogorelko, O.; Pozdniakov, S.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Giovanetti, K. L.; Niculescu, G.] James Madison Univ, Harrisonburg, VA 22807 USA. [Kim, W.; Kuznetsov, V.; Park, K.] Kyungpook Natl Univ, Taegu 702701, South Korea. [Ishkhanov, B. S.; Isupov, E. L.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Holtrop, M.; Zana, L.] Univ New Hampshire, Durham, NH 03824 USA. [Khandaker, M.; Salgado, C.; Vineyard, M. F.] Norfolk State Univ, Norfolk, VA 23504 USA. [Adhikari, K. P.; Amaryan, M.; Careccia, S. L.; Dodge, G. E.; Hyde, C. E.; Klein, A.; Mayer, M.; Nepali, C. S.; Niroula, M. R.; Seraydaryan, H.; Tkachenko, S.; Weinstein, L. B.; Zhang, J.] Old Dominion Univ, Norfolk, VA 23529 USA. [Biselli, A. S.; Khetarpal, P.] Rensselaer Polytech Inst, Troy, NY 12180 USA. [Gilfoyle, G. P.; Vineyard, M. F.] Univ Richmond, Richmond, VA 23173 USA. [D'Angelo, A.] Univ Roma Tor Vergata, I-00133 Rome, Italy. [Fedotov, G.; Golovatch, E.; Mokeev, V.] Skobeltsyn Nucl Phys Inst, Moscow 119899, Russia. [Vineyard, M. F.] Union Coll, Schenectady, NY 12308 USA. [Brooks, W. K.; Hakobyan, H.; Kuleshovz, S. V.] Univ Tecn Federico Santa Maria, Valparaiso, Chile. [Baghdasaryan, H.] Univ Virginia, Charlottesville, VA 22901 USA. [Fersch, R.; Griffloenn, K. A.; Jawalkar, S. S.] Coll William & Mary, Williamsburg, VA 23187 USA. [Dashyan, N.; Hakobyan, H.; Sharabian, Y. G.] Yerevan Phys Inst, Yerevan 375036, Armenia. RP Qian, X (reprint author), Duke Univ, Durham, NC 27708 USA. EM xqian@jlab.org RI Osipenko, Mikhail/N-8292-2015; Zhang, Jixie/A-1461-2016; Sabatie, Franck/K-9066-2015; Ireland, David/E-8618-2010; Gao, Haiyan/G-2589-2011; Lu, Haiyun/B-4083-2012; Protopopescu, Dan/D-5645-2012; Zana, Lorenzo/H-3032-2012; Isupov, Evgeny/J-2976-2012; Ishkhanov, Boris/E-1431-2012; Zhao, Bo/J-6819-2012; Brooks, William/C-8636-2013; Schumacher, Reinhard/K-6455-2013; D'Angelo, Annalisa/A-2439-2012; Meyer, Curtis/L-3488-2014 OI Osipenko, Mikhail/0000-0001-9618-3013; Qian, Xin/0000-0002-7903-7935; Bellis, Matthew/0000-0002-6353-6043; Sabatie, Franck/0000-0001-7031-3975; Ireland, David/0000-0001-7713-7011; Zhao, Bo/0000-0003-3171-5335; Brooks, William/0000-0001-6161-3570; Schumacher, Reinhard/0000-0002-3860-1827; D'Angelo, Annalisa/0000-0003-3050-4907; Meyer, Curtis/0000-0001-7599-3973 FU US Department of Energy [DE-FG02-03ER41231]; National Science Foundation; Istituto Nazionale di Fisica Nucleate; French Centre National de la Recherche Scientifique; French Commissariat a l'Energie Atomique; US Department of Energy; UK Science and Technology Facilities Council (STFC); Korean Science and Engineering Foundation; Southeastern Universities Research Association (SURA) [DE-AC05-84ER40150] FX We thank Misak Sargsian and Mark Strikman for helpful conversations. We acknowledge the outstanding efforts of the staff of the Accelerator and Physics Divisions at Jefferson Lab who made this experiment possible. This work was supported in part by the US Department of Energy under contract number DE-FG02-03ER41231, the National Science Foundation, the Istituto Nazionale di Fisica Nucleate, the French Centre National de la Recherche Scientifique, the French Commissariat a l'Energie Atomique, the US Department of Energy, the National Science Foundation, the UK Science and Technology Facilities Council (STFC), and the Korean Science and Engineering Foundation. The Southeastern Universities Research Association (SURA) operates the Thomas Jefferson National Accelerator Facility for the United States Department of Energy under contract DE-AC05-84ER40150. NR 30 TC 12 Z9 12 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD OCT 12 PY 2009 VL 680 IS 5 BP 417 EP 422 DI 10.1016/j.physletb.2009.09.024 PG 6 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 513ZQ UT WOS:000271363200005 ER PT J AU Lintott, CJ Schawinski, K Keel, W van Arkel, H Bennert, N Edmondson, E Thomas, D Smith, DJB Herbert, PD Jarvis, MJ Virani, S Andreescu, D Bamford, SP Land, K Murray, P Nichol, RC Raddick, MJ Slosar, A Szalay, A Vandenberg, J AF Lintott, Chris J. Schawinski, Kevin Keel, William van Arkel, Hanny Bennert, Nicola Edmondson, Edward Thomas, Daniel Smith, Daniel J. B. Herbert, Peter D. Jarvis, Matt J. Virani, Shanil Andreescu, Dan Bamford, Steven P. Land, Kate Murray, Phil Nichol, Robert C. Raddick, M. Jordan Slosar, Anze Szalay, Alex Vandenberg, Jan TI Galaxy Zoo: 'Hanny's Voorwerp', a quasar light echo? SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: active; galaxies: individual: IC 2497; galaxies: peculiar; quasars: general ID ACTIVE GALACTIC NUCLEI; DIGITAL-SKY-SURVEY; EMISSION-LINE REGIONS; HUBBLE-SPACE-TELESCOPE; STAR-FORMING GALAXIES; HOST GALAXIES; INFRARED GALAXIES; STELLAR OBJECTS; RADIO JET; IMAGES AB We report the discovery of an unusual object near the spiral galaxy IC 2497, discovered by visual inspection of the Sloan Digital Sky Survey (SDSS) as part of the Galaxy Zoo project. The object, known as Hanny's Voorwerp, is bright in the SDSS g band due to unusually strong [O III]4959, 5007 emission lines. We present the results of the first targeted observations of the object in the optical, ultraviolet and X-ray, which show that the object contains highly ionized Gas. Although the line ratios are similar to extended emission-line regions near luminous active galactic nucleus (AGN), the source of this ionization is not apparent. The emission-fine properties, and lack of X-ray emission from IC 2497, suggest either a highly obscured AGN with a novel geometry arranged to allow photoionization of the object but not the galaxy's own circumnuclear gas, or, as we argue, the first detection of a quasar light echo. In this case, either the luminosity of the central source has decreased dramatically or else the obscuration in the system has increased within 10(5) yr. This object may thus represent the first direct probe of quasar history on these time-scales. C1 [Lintott, Chris J.; Schawinski, Kevin; Land, Kate] Univ Oxford, Dept Phys, Oxford OX1 3RH, England. [Schawinski, Kevin] Yale Univ, Dept Phys, New Haven, CT 06511 USA. [Schawinski, Kevin; Virani, Shanil] Yale Univ, Yale Ctr Astron & Astrophys, New Haven, CT 06520 USA. [Keel, William] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Keel, William] SARA Observ, Tucson, AZ 85719 USA. [Bennert, Nicola] Univ Calif Riverside, Inst Geophys & Planetary Phys, Riverside, CA 92521 USA. [Bennert, Nicola; Bamford, Steven P.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Edmondson, Edward; Thomas, Daniel; Nichol, Robert C.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Smith, Daniel J. B.] Liverpool John Moores Univ, Astrophys Res Inst, Birkenhead CH41 1LD, Merseyside, England. [Herbert, Peter D.; Jarvis, Matt J.] Univ Hertfordshire, Ctr Astrophys, Sci & Technol Res Inst, Hatfield AL10 9AB, Herts, England. [Andreescu, Dan] LinkLab, Bronx, NY 10471 USA. [Murray, Phil] Fingerprint Digital Media, Newtownards BT23 7GY, Co Down, North Ireland. [Raddick, M. Jordan; Szalay, Alex; Vandenberg, Jan] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Slosar, Anze] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA. [Slosar, Anze] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Lintott, CJ (reprint author), Univ Oxford, Dept Phys, Oxford OX1 3RH, England. EM cjl@astro.ox.ac.uk RI Bamford, Steven/E-8702-2010; OI Bamford, Steven/0000-0001-7821-7195; Smith, Daniel/0000-0001-9708-253X; Schawinski, Kevin/0000-0001-5464-0888 FU Association of Universities for Research in Astronomy (AURA); National Science Foundation FX Visiting Astronomer, Kitt Peak National Observatory. National Optical Astronomy Observatory, which is operated by the Association of Universities for Research in Astronomy (AURA) under cooperative agreement with the National Science Foundation. NR 65 TC 60 Z9 60 U1 0 U2 3 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD OCT 11 PY 2009 VL 399 IS 1 BP 129 EP 140 DI 10.1111/j.1365-2966.2009.15299.x PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 511KN UT WOS:000271163200009 ER PT J AU Skilton, JL Pandey-Pommier, M Hinton, JA Cheung, CC Aharonian, FA Brucker, J Dubus, G Fiasson, A Funk, S Gallant, Y Marcowith, A Reimer, O AF Skilton, J. L. Pandey-Pommier, M. Hinton, J. A. Cheung, C. C. Aharonian, F. A. Brucker, J. Dubus, G. Fiasson, A. Funk, S. Gallant, Y. Marcowith, A. Reimer, O. TI The radio counterpart of the likely TeV binary HESS J0632+057 SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE radio continuum: stars; X-rays: binaries ID X-RAY BINARY; ENERGY GAMMA-RAYS; LS 5039; SKY SURVEY; STARS; EMISSION; DISCOVERY; LS-5039; I+61-DEGREES-303; PERIASTRON AB The few known gamma-ray binary systems are all associated with variable radio and X-ray emission. The TeV source HESS J0632+057, apparently associated with the Be star MWC 148, is plausibly I new member of this class. Following the identification of a variable X-ray counterpart to the TeV source we conducted Giant Metrewave Radio Telescope (GMRT) and Very Large Array (VLA) observations in 2008 June-September to search for the radio counterpart of this object. A point-like radio source at the position of the star is detected in both 1280-MHz GMRT and 5-GHz VLA observations, with an average spectral index, alpha, of similar to 0.6. In the VLA data there is significant flux variability oil similar to month time-scales around the mean flux density of approximate to 0.3 mJy. These radio properties (and the overall spectral energy distribution) are consistent with an interpretation of HESS J0632+057 as a lower power analogue of the established gamma-ray binary systems. C1 [Skilton, J. L.; Hinton, J. A.] Univ Leeds, Sch Phys & Astron, Leeds LS2 9JT, W Yorkshire, England. [Pandey-Pommier, M.] Leiden Observ, NL-2300 RA Leiden, Netherlands. [Cheung, C. C.] NASA, Goddard Space Flight Ctr, Astrophys Sci Div, Greenbelt, MD 20771 USA. [Aharonian, F. A.] Dublin Inst Adv Studies, Dublin 2, Ireland. [Brucker, J.] Univ Erlangen Nurnberg, Inst Phys, D-91058 Erlangen, Germany. [Dubus, G.] Univ Grenoble 1, Lab Astrophys Grenoble, INSU, CNRS, F-38041 Grenoble 9, France. [Fiasson, A.; Gallant, Y.; Marcowith, A.] Univ Montpellier 2, Lab Phys Theor & Astroparticules, CNRS, IN2P3, F-34095 Montpellier 5, France. [Fiasson, A.] CNRS, Lab Annecy Le Vieux Phys Particules, IN2P3, F-74941 Annecy Le Vieux, France. [Funk, S.; Reimer, O.] SLAC, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA. [Reimer, O.] Univ Innsbruck, Inst Astro & Particle Phys, A-6020 Innsbruck, Austria. RP Skilton, JL (reprint author), Univ Leeds, Sch Phys & Astron, Leeds LS2 9JT, W Yorkshire, England. EM J.L.Skilton03@leeds.ac.uk RI Reimer, Olaf/A-3117-2013; Funk, Stefan/B-7629-2015 OI Reimer, Olaf/0000-0001-6953-1385; Funk, Stefan/0000-0002-2012-0080 FU UK Science and Technology Facilities Council (STFC) Advanced Fellowship; NASA Postdoctoral Program at Goddard Space Flight Center; European Community [ERC-StG-200911] FX We thank the staff of the GMRT who made these observations possible. We thank Dr S. Roy and Professor V. Kulkarni of NCRA for the help provided during the GMRT observation and data transmission to the Leiden Observatory, H. E. Wheelwright and J. J Stead for useful discussions and all anonymous referee for helpful comments. JAH is supported by a UK Science and Technology Facilities Council (STFC) Advanced Fellowship. CCC is supported by an appointment to the NASA Postdoctoral Program at Goddard Space Flight Center, administered by Oak Ridge Associated Universities through it contract with NASA. GD is supported by European Community contract ERC-StG-200911. NR 37 TC 28 Z9 28 U1 0 U2 0 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD OCT 11 PY 2009 VL 399 IS 1 BP 317 EP 322 DI 10.1111/j.1365-2966.2009.15272.x PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 511KN UT WOS:000271163200026 ER PT J AU Meier, E Biedron, SG LeBlanc, G Morgan, MJ Wu, J AF Meier, E. Biedron, S. G. LeBlanc, G. Morgan, M. J. Wu, J. TI Development of a combined feed forward-feedback system for an electron Linac SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Linac; Energy control; Jitter; Neural networks ID NEURAL-NETWORKS AB This paper describes the results of an advanced control algorithm for the stabilization of electron beam energy in a Linac. The approach combines a conventional Proportional-integral (PI) controller with a neural network (NNET) feed forward algorithm; it utilizes the robustness of PI control and the ability of a feed forward system in order to exert control over a wider range of frequencies. The NNET is trained to recognize jitter occurring in the phase and voltage of one of the klystrons, based on a record of these parameters, and predicts future energy deviations. A systematic approach is developed to determine the optimal NNET parameters that are then applied to the Australian Synchrotron Linac. The system's capability to fully cancel multi-frequency jitter is demonstrated. The NNET system is then augmented with the PI algorithm, and further jitter attenuation is achieved when the NNET is not operating optimally. (C) 2009 Elsevier B.V. All rights reserved. C1 [Meier, E.; Morgan, M. J.] Monash Univ, Sch Phys, Clayton, Vic 3800, Australia. [Meier, E.; LeBlanc, G.] Australian Synchrotron, Clayton, Vic 3168, Australia. [Meier, E.; Biedron, S. G.] Sincrotrone Trieste, FERMI Elettra, I-34012 Trieste, Italy. [Biedron, S. G.] Argonne Natl Lab, Dept Def Project Off, Argonne, IL 60439 USA. [Wu, J.] SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA. RP Meier, E (reprint author), Monash Univ, Sch Phys, Wellington Rd, Clayton, Vic 3800, Australia. EM evelyne.meier@synchrotron.org.au; biedron@anl.gov; Greg.LeBlanc@synchrotron.org.au; Michael.Morgan@sci.monash.edu.au; jhwu@slac.stanford.edu NR 19 TC 5 Z9 5 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 11 PY 2009 VL 609 IS 2-3 BP 79 EP 88 DI 10.1016/j.nima.2009.08.028 PG 10 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 516NC UT WOS:000271548200001 ER PT J AU Gao, F Gai, W Wong, T Jing, CG Liu, WM AF Gao, Feng Gai, Wei Wong, Thomas Jing, Chunguang Liu, Wanming TI Design considerations for a higher-order-mode dielectric-loaded power extractor set for millimeter-wave generation SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Dielectric loaded; Power extraction; Mode suppression; Millimeter-wave generation ID ACCELERATOR AB The design of an electron-beam excited device for millimeter-wave generation is presented. Referred to as a dielectric-loaded power extractor, it is based on the higher-order-mode operation of a dielectric-loaded waveguide. With a matching transition, the unit can deliver power to the output waveguide at one of two frequencies, 20.8 and 35.1 GHz, corresponding to the TM(02) and TM(03) modes, respectively. By properly choosing the thickness of the dielectric lining, both modes are tuned to synchronize with an ultra-relativistic electron beam traversing the unit so that the wakefield generated by the beam is excited at these modes, chosen to be at 20.8 and 35.1 GHz, respectively, both corresponding to a harmonic of the 1.3 GHz operating frequency at an accelerator facility. Power generated in the unintended TM(01) mode is effectively suppressed for bunch train operation by a novel technique. The device consists of a dielectric-loaded decelerating structure and two changeable output couplers to deliver the millimeter-wave power to a standard waveguide. For a drive beam with 50 nC of charge per bunch, power levels of 90.4 and 8.68 MW are expected to be delivered by the device at 20.8 and 35.1 GHz, respectively. (C) 2009 Published by Elsevier B.V. C1 [Gao, Feng; Gai, Wei; Liu, Wanming] Argonne Natl Lab, Argonne, IL 60439 USA. [Gao, Feng; Wong, Thomas] IIT, Chicago, IL 60616 USA. [Jing, Chunguang] Euclid TechLabs LLC, Solon, OH 44139 USA. RP Gao, F (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM GAOFENG@IIT.EDU NR 14 TC 1 Z9 1 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 11 PY 2009 VL 609 IS 2-3 BP 89 EP 94 DI 10.1016/j.nima.2009.08.048 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 516NC UT WOS:000271548200002 ER PT J AU Aguilar-Arevalo, A Blecher, M Bryman, DA Comfort, J Doornbos, J Doria, L Hussein, A Ito, N Kettell, S Kurchaninov, L Malbrunot, C Marshall, GM Numao, T Poutissou, R Sher, A Walker, B Yamada, K AF Aguilar-Arevalo, A. Blecher, M. Bryman, D. A. Comfort, J. Doornbos, J. Doria, L. Hussein, A. Ito, N. Kettell, S. Kurchaninov, L. Malbrunot, C. Marshall, G. M. Numao, T. Poutissou, R. Sher, A. Walker, B. Yamada, K. TI High purity pion beam at TRIUMF SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Beam channel; Particle separation; Pion decay ID BRANCHING RATIO; SCATTERING; MESONS; PI(+) AB An extension of the TRIUMF M13 low-energy pion channel designed to suppress positrons based on an energy-loss technique is described. A source of beam channel momentum calibration from the decay pi(+) -> e(+) v is also described. (C) 2009 Elsevier B.V. All rights reserved. C1 [Aguilar-Arevalo, A.; Doornbos, J.; Doria, L.; Kurchaninov, L.; Marshall, G. M.; Numao, T.; Poutissou, R.; Sher, A.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Blecher, M.] Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA. [Bryman, D. A.; Malbrunot, C.; Walker, B.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z1, Canada. [Comfort, J.] Arizona State Univ, Tempe, AZ 85287 USA. [Hussein, A.] Univ No British Columbia, Prince George, BC V2N 4Z9, Canada. [Ito, N.; Yamada, K.] Osaka Univ, Dept Phys, Osaka 5600043, Japan. [Kettell, S.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Numao, T (reprint author), TRIUMF, 4004 Wesbrook Mall, Vancouver, BC V6T 2A3, Canada. EM toshio@triumf.ca OI Doria, Luca/0000-0002-7800-6328; Aguilar-Arevalo, Alexis A./0000-0001-9279-3375; MALBRUNOT, Chloe/0000-0001-6193-6601 FU Natural Science and Engineering Research Council; National Research Council of Canada; US National Science Foundation [Phy-0553611] FX The authors wish to thank C. Ballard, N. Khan, R. Kokke, D. Evans, K. Reiniger, and the beam line group for the design and installation work. This work was supported by the Natural Science and Engineering Research Council and the National Research Council of Canada. One of the authors (M.B.) has been supported by US National Science Foundation Grant Phy-0553611. NR 12 TC 16 Z9 16 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 11 PY 2009 VL 609 IS 2-3 BP 102 EP 105 DI 10.1016/j.nima.2009.08.053 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 516NC UT WOS:000271548200004 ER PT J AU Cabrera, A Adamson, P Barker, M Belias, A Boyd, S Crone, G Drake, G Falk, E Harris, PG Hartnell, J Jenner, L Kordosky, M Lang, K Litchfield, RP Michael, D Miyagawa, PS Morse, R Murgia, S Nichol, R Nicholls, T Pearce, GF Petyt, D Reyna, D Saakyan, R Shanahan, P Smith, C Symes, P Tagg, N Thomas, J Vahle, P Weber, A AF Cabrera, A. Adamson, P. Barker, M. Belias, A. Boyd, S. Crone, G. Drake, G. Falk, E. Harris, P. G. Hartnell, J. Jenner, L. Kordosky, M. Lang, K. Litchfield, R. P. Michael, D. Miyagawa, P. S. Morse, R. Murgia, S. Nichol, R. Nicholls, T. Pearce, G. F. Petyt, D. Reyna, D. Saakyan, R. Shanahan, P. Smith, C. Symes, P. Tagg, N. Thomas, J. Vahle, P. Weber, A. TI Comparisons of the MINOS near and far detector readout systems at a test beam SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Neutrino detector calibration; Iron-scintillator sampling calorimeter; Test beam measurements; Readout system ID PHOTOMULTIPLIERS; CALORIMETERS; PERFORMANCE AB MINOS is a long baseline neutrino oscillation experiment that uses two detectors separated by 734 km. The readout systems used for the two detectors are different and have to be independently calibrated. To verify and make a direct comparison of the calibrated response of the two readout systems, test beam data were acquired using a smaller calibration detector. This detector was simultaneously instrumented with both readout systems and exposed to the CERN PS T7 test beam. Differences in the calibrated response of the two systems are shown to arise from differences in response non-linearity, photomultiplier tube crosstalk, and threshold effects at the few percent level. These differences are reproduced by the Monte Carlo (MC) simulation to better than 1% and a scheme that corrects for these differences by calibrating the MC to match the data in each detector separately is presented. The overall difference in calorimetric response between the two readout systems is shown to be consistent with zero to a precision of 1.3% in data and 0.3% in MC with no significant energy dependence. (C) 2009 Elsevier B.V. All rights reserved. C1 [Drake, G.; Reyna, D.] Argonne Natl Lab, Argonne, IL 60439 USA. [Michael, D.] CALTECH, Lauritsen Lab, Pasadena, CA 91125 USA. [Shanahan, P.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Adamson, P.; Crone, G.; Jenner, L.; Nichol, R.; Saakyan, R.; Smith, C.; Thomas, J.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Petyt, D.] Univ Minnesota, Minneapolis, MN 55455 USA. [Cabrera, A.; Barker, M.; Hartnell, J.; Litchfield, R. P.; Miyagawa, P. S.; Tagg, N.; Weber, A.] Univ Oxford, Subdept Particle Phys, Oxford OX1 3RH, England. [Boyd, S.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Belias, A.; Nicholls, T.; Pearce, G. F.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Murgia, S.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Falk, E.; Harris, P. G.; Hartnell, J.; Morse, R.; Symes, P.] Univ Sussex, Dept Phys & Astron, Brighton BN1 9QH, E Sussex, England. [Kordosky, M.; Lang, K.; Vahle, P.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. RP Cabrera, A (reprint author), Univ Paris 07, APC, 10 Rue Alice Domon & Leonie Duquet, F-75205 Paris 13, France. EM anatael@in2p3.fr; j.j.hartnell@sussex.ac.uk RI Nichol, Ryan/C-1645-2008; Harris, Philip/I-7419-2012; OI Harris, Philip/0000-0003-4369-3874; Hartnell, Jeffrey/0000-0002-1744-7955; Weber, Alfons/0000-0002-8222-6681 FU UK Particle Physics and Astronomy Research Council (PPARC); US Department of Energy (DOE); European Union (EU) FX This work was funded in part by the UK Particle Physics and Astronomy Research Council (PPARC), the US Department of Energy (DOE) and the European Union (EU). We would like to thank CERN for providing the test beams and support. Special thanks are due to L Durieu and M. Hauschild for their help throughout this project. We are grateful for the engineering support provided by T. Durkin, M. Proga, D. Atree, J. Trevor, J. Hanson, M. Williams, P. Groves and G. Sillman and electronics support from C. Nelson, B. Luebke, T. Fitzpatrick. NR 15 TC 9 Z9 9 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 11 PY 2009 VL 609 IS 2-3 BP 106 EP 113 DI 10.1016/j.nima.2009.07.016 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 516NC UT WOS:000271548200005 ER PT J AU Abazov, VM Abbott, B Abolins, M Acharya, BS Adams, M Adams, T Aguilo, E Ahsan, M Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Ancu, LS Andeen, T Anzelc, MS Aoki, M Arnoud, Y Arov, M Arthaud, M Askew, A Asman, B Atramentov, O Avila, C BackusMayes, J Badaud, F Bagby, L Baldin, B Bandurin, DV Banerjee, S Barberis, E Barfuss, AF Bargassa, P Baringer, R Barreto, J Bartlett, JF Bassler, U Bauer, D Beale, S Bean, A Begalli, M Begel, M Belanger-Champagne, C Bellantoni, L Bellavance, A Benitez, JA Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatnagar, V Blazey, G Blessing, S Bloom, K Boehnlein, A Boline, D Bolton, TA Boos, EE Borissov, G Bose, T Brandt, A Brock, R Brooijmans, G Bross, A Brown, D Bu, XB Buchholz, D Buehler, M Buescher, V Bunichev, V Burdin, S Burnett, TH Buszello, CP Calfayan, R Calpas, B Calvet, S Cammin, J Carrasco-Lizarraga, MA Carrera, E Carvalho, W Casey, BCK Castilla-Valdez, H Chakrabarti, S Chakraborty, D Chan, KM Chandra, A Cheu, E Cho, DK Cho, SW Choi, S Choudhary, B Christoudias, T Cihangir, S Claes, D Clutter, J Cooke, M Cooper, WE Corcoran, M Couderc, F Cousinou, MC Cutts, D Cwiok, M Das, A Davies, G De, K de Jong, SJ De La Cruz-Burelo, E DeVaughan, K Deliot, F Demarteau, M Demina, R Denisov, D Denisov, SP Desai, S Diehl, HT Diesburg, M Dominguez, A Dorland, T Dubey, A Dudko, LV Duflot, L Duggan, D Duperrin, A Dutt, S Dyshkant, A Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Eno, S Escalier, M Evans, H Evdokimov, A Evdokimov, VN Facini, G Ferapontov, AV Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Fu, S Fuess, S Gadfort, T Galea, CF Garcia-Bellido, A Gavrilov, V Gay, P Geist, W Geng, W Gerber, CE Gershtein, Y Gillberg, D Ginther, G Gomez, B Goussiou, A Grannis, PD Greder, S Greenlee, H Greenwood, ZD Gregores, EM Grenier, G Gris, P Grivaz, JF Grohsjean, A Grunendahl, S Grunewald, MW Guo, F Guo, J Gutierrez, G Gutierrez, P Haas, A Haefner, R Hagopian, S Haley, J Hall, I Hall, RE Han, L Harder, K Harel, A Hauptman, JM Hays, J Hebbeker, T Hedin, D Hegeman, JG Heinson, AP Heintz, U Hensel, C Heredia-De La Cruz, I Herner, K Hesketh, G Hildreth, MD Hirosky, R Hoang, T Hobbs, JD Hoeneisen, B Hohlfeld, M Hossain, S Houben, R Hu, Y Hubacek, Z Huske, N Hynek, V Lashvili, I Illingworth, R Ito, AS Jabeen, S Jaffre, M Jain, S Jakobs, K Jamin, D Jesik, R Johns, K Johnson, C Johnson, M Johnston, D Jonckheere, A Jonsson, R Juste, A Kajfasz, E Karmanov, D Kasper, PA Katsanos, I Kaushik, V Kehoe, R Kermiche, S Khalatyan, N Khanov, A Kharchilava, A Kharzheeva, YN Khatidze, D Kirby, MH Kirsch, M Klima, B Kohli, JM Konrath, JP Kozelov, AV Kraus, J Kuhl, T Kumar, A Kupco, A Kurca, T Kuzmin, VA Kvita, J Lacroix, F Lam, D Lammers, S Landsberg, G Lebrun, P Lee, HS Lee, WM Leflat, A Lellouch, J Li, L Li, QZ Lietti, SM Lim, JK Lincoln, D Linnemann, J Lipaev, VV Lipton, R Liu, Y Liu, Z Lobodenko, A Lokajicek, M Love, P Lubatti, HJ Luna-Garcia, R Lyon, AL Maciel, AKA Mackin, D Mattig, R Magana-Villalba, R Mal, PK Malik, S Malyshev, VL Maravin, Y Martin, B McCarthy, R McGivern, CL Meijer, MM Melnitchouk, A Mendoza, L Menezes, D Mercadante, PG Merkin, M Merritt, KW Meyer, A Meyer, J Mondal, NK Montgomery, HE Moore, RW Moulik, T Muanza, GS Mulhearn, M Mundal, O Mundim, L Nagy, E Naimuddin, M Narain, M Neal, HA Negret, JP Neustroev, P Nilsen, H Nogima, H Novaes, SF Nunnemann, T Obrant, G Ochando, C Onoprienko, D Orduna, J Oshima, N Osman, N Osta, J Otec, R Garzon, GJOY Owen, M Padilla, M Padley, P Pangilinan, M Parashar, N Park, SJ Park, SK Parsons, J Partridge, R Parua, N Patwa, A Penning, B Perfilov, M Peters, K Peters, Y Petroff, P Piegaia, R Piper, J Pleier, MA Podesta-Lerma, PLM Podstavkov, VM Pogorelov, Y Pol, ME Polozov, P Popov, AV Prewitt, M Protopopescu, S Qian, J Quadt, A Quinn, B Rakitine, A Rangel, MS Ranjan, K Ratoff, PN Renkel, P Rich, P Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Robinson, S Rominsky, M Royon, C Rubinov, P Ruchti, R Safronov, G Sajot, G Sanchez-Hernandez, A Sanders, MP Sanghi, B Savage, G Sawyer, L Scanlon, T Schaile, D Schamberger, RD Scheglov, Y Schellman, H Schliephake, T Schlobohm, S Schwanenberger, C Schwienhorst, R Sekaric, J Severini, H Shabalina, E Shamim, M Shary, V Shchukin, AA Shivpuri, RK Siccardi, V Simak, V Sirotenko, V Skubic, P Slattery, P Smirnov, D Snow, GR Snow, J Snyder, S Soldner-Remboldax, S Sonnenschein, L Sopczak, A Sosebee, M Soustruznik, K Spurlock, B Stark, J Stolin, V Stoyanova, DA Strandberg, J Strang, MA Strauss, E Strauss, M Strohmer, R Strom, D Stutte, L Sumowidagdo, S Svoisky, P Takahashi, M Tanasijczuk, A Taylor, W Tiller, B Titov, M Tokmenin, VV Torchiani, I Tsybychev, D Tuchming, B Tully, C Tuts, PM Unalan, R Uvarov, L Uvarov, S Uzunyan, S van den Berg, PJ Van Kooten, R van Leuwen, WM Varelas, N Varnes, EW Vasilyev, IA Verdier, P Vertogradov, LS Verzocchi, M Vesterinen, M Vilanova, D Vint, P Vokac, P Wagner, R Wahl, HD Wang, MHLS Warchol, J Watts, G Wayne, M Weber, G Weber, M Welty-Rieger, L Wenger, A Wetstein, M White, A Wicke, D Williams, MRJ Wilson, GW Wimpenny, SJ Wobisch, M Wood, DR Wyatt, TR Xie, Y Xu, C Yacoob, S Yamada, R Zeitnitz, C Zelitch, S Zhao, T Zhou, B Zhu, J Zielinski, M Zieminska, D Zivkovic, L Zutshi, V Zverev, EG AF Abazov, V. M. Abbott, B. Abolins, M. Acharya, B. S. Adams, M. Adams, T. Aguilo, E. Ahsan, M. Alexeev, G. D. Alkhazov, G. Alton, A. Alverson, G. Alves, G. A. Ancu, L. S. Andeen, T. Anzelc, M. S. Aoki, M. Arnoud, Y. Arov, M. Arthaud, M. Askew, A. Asman, B. Atramentov, O. Avila, C. BackusMayes, J. Badaud, F. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, S. Barberis, E. Barfuss, A. -F. Bargassa, P. Baringer, R. Barreto, J. Bartlett, J. F. Bassler, U. Bauer, D. Beale, S. Bean, A. Begalli, M. Begel, M. Belanger-Champagne, C. Bellantoni, L. Bellavance, A. Benitez, J. A. Beri, S. B. Bernardi, G. Bernhard, R. Bertram, I. Besancon, M. Beuselinck, R. Bezzubov, V. A. Bhat, P. C. Bhatnagar, V. Blazey, G. Blessing, S. Bloom, K. Boehnlein, A. Boline, D. Bolton, T. A. Boos, E. E. Borissov, G. Bose, T. Brandt, A. Brock, R. Brooijmans, G. Bross, A. Brown, D. Bu, X. B. Buchholz, D. Buehler, M. Buescher, V. Bunichev, V. Burdin, S. Burnett, T. H. Buszello, C. P. Calfayan, R. Calpas, B. Calvet, S. Cammin, J. Carrasco-Lizarraga, M. A. Carrera, E. Carvalho, W. Casey, B. C. K. Castilla-Valdez, H. Chakrabarti, S. Chakraborty, D. Chan, K. M. Chandra, A. Cheu, E. Cho, D. K. Cho, S. W. Choi, S. Choudhary, B. Christoudias, T. Cihangir, S. Claes, D. Clutter, J. Cooke, M. Cooper, W. E. Corcoran, M. Couderc, F. Cousinou, M. -C. Cutts, D. Cwiok, M. Das, A. Davies, G. De, K. de Jong, S. J. De La Cruz-Burelo, E. DeVaughan, K. Deliot, F. Demarteau, M. Demina, R. Denisov, D. Denisov, S. P. Desai, S. Diehl, H. T. Diesburg, M. Dominguez, A. Dorland, T. Dubey, A. Dudko, L. V. Duflot, L. Duggan, D. Duperrin, A. Dutt, S. Dyshkant, A. Eads, M. Edmunds, D. Ellison, J. Elvira, V. D. Enari, Y. Eno, S. Escalier, M. Evans, H. Evdokimov, A. Evdokimov, V. N. Facini, G. Ferapontov, A. V. Ferbel, T. Fiedler, F. Filthaut, F. Fisher, W. Fisk, H. E. Fortner, M. Fox, H. Fu, S. Fuess, S. Gadfort, T. Galea, C. F. Garcia-Bellido, A. Gavrilov, V. Gay, P. Geist, W. Geng, W. Gerber, C. E. Gershtein, Y. Gillberg, D. Ginther, G. Gomez, B. Goussiou, A. Grannis, P. D. Greder, S. Greenlee, H. Greenwood, Z. D. Gregores, E. M. Grenier, G. Gris, Ph. Grivaz, J. -F. Grohsjean, A. Gruenendahl, S. Gruenewald, M. W. Guo, F. Guo, J. Gutierrez, G. Gutierrez, P. Haas, A. Haefner, R. Hagopian, S. Haley, J. Hall, I. Hall, R. E. Han, L. Harder, K. Harel, A. Hauptman, J. M. Hays, J. Hebbeker, T. Hedin, D. Hegeman, J. G. Heinson, A. P. Heintz, U. Hensel, C. Heredia-De la Cruz, I. Herner, K. Hesketh, G. Hildreth, M. D. Hirosky, R. Hoang, T. Hobbs, J. D. Hoeneisen, B. Hohlfeld, M. Hossain, S. Houben, R. Hu, Y. Hubacek, Z. Huske, N. Hynek, V. Lashvili, I. Illingworth, R. Ito, A. S. Jabeen, S. Jaffre, M. Jain, S. Jakobs, K. Jamin, D. Jesik, R. Johns, K. Johnson, C. Johnson, M. Johnston, D. Jonckheere, A. Jonsson, R. Juste, A. Kajfasz, E. Karmanov, D. Kasper, P. A. Katsanos, I. Kaushik, V. Kehoe, R. Kermiche, S. Khalatyan, N. Khanov, A. Kharchilava, A. Kharzheeva, Y. N. Khatidze, D. Kirby, M. H. Kirsch, M. Klima, B. Kohli, J. M. Konrath, J. -P Kozelov, A. V. Kraus, J. Kuhl, T. Kumar, A. Kupco, A. Kurca, T. Kuzmin, V. A. Kvita, J. Lacroix, F. Lam, D. Lammers, S. Landsberg, G. Lebrun, P. Lee, H. S. Lee, W. M. Leflat, A. Lellouch, J. Li, L. Li, Q. Z. Lietti, S. M. Lim, J. K. Lincoln, D. Linnemann, J. Lipaev, V. V. Lipton, R. Liu, Y. Liu, Z. Lobodenko, A. Lokajicek, M. Love, P. Lubatti, H. J. Luna-Garcia, R. Lyon, A. L. Maciel, A. K. A. Mackin, D. Maettig, R. Magana-Villalba, R. Mal, P. K. Malik, S. Malyshev, V. L. Maravin, Y. Martin, B. McCarthy, R. McGivern, C. L. Meijer, M. M. Melnitchouk, A. Mendoza, L. Menezes, D. Mercadante, P. G. Merkin, M. Merritt, K. W. Meyer, A. Meyer, J. Mondal, N. K. Montgomery, H. E. Moore, R. W. Moulik, T. Muanza, G. S. Mulhearn, M. Mundal, O. Mundim, L. Nagy, E. Naimuddin, M. Narain, M. Neal, H. A. Negret, J. P. Neustroev, P. Nilsen, H. Nogima, H. Novaes, S. F. Nunnemann, T. Obrant, G. Ochando, C. Onoprienko, D. Orduna, J. Oshima, N. Osman, N. Osta, J. Otec, R. Otero y Garzon, G. J. Owen, M. Padilla, M. Padley, P. Pangilinan, M. Parashar, N. Park, S. -J. Park, S. K. Parsons, J. Partridge, R. Parua, N. Patwa, A. Penning, B. Perfilov, M. Peters, K. Peters, Y. Petroff, P. Piegaia, R. Piper, J. Pleier, M. -A. Podesta-Lerma, P. L. M. Podstavkov, V. M. Pogorelov, Y. Pol, M. -E. Polozov, P. Popov, A. V. Prewitt, M. Protopopescu, S. Qian, J. Quadt, A. Quinn, B. Rakitine, A. Rangel, M. S. Ranjan, K. Ratoff, P. N. Renkel, P. Rich, P. Rijssenbeek, M. Ripp-Baudot, I. Rizatdinova, F. Robinson, S. Rominsky, M. Royon, C. Rubinov, P. Ruchti, R. Safronov, G. Sajot, G. Sanchez-Hernandez, A. Sanders, M. P. Sanghi, B. Savage, G. Sawyer, L. Scanlon, T. Schaile, D. Schamberger, R. D. Scheglov, Y. Schellman, H. Schliephake, T. Schlobohm, S. Schwanenberger, C. Schwienhorst, R. Sekaric, J. Severini, H. Shabalina, E. Shamim, M. Shary, V. Shchukin, A. A. Shivpuri, R. K. Siccardi, V. Simak, V. Sirotenko, V. Skubic, P. Slattery, P. Smirnov, D. Snow, G. R. Snow, J. Snyder, S. Soeldner-Rembold, S. Sonnenschein, L. Sopczak, A. Sosebee, M. Soustruznik, K. Spurlock, B. Stark, J. Stolin, V. Stoyanova, D. A. Strandberg, J. Strang, M. A. Strauss, E. Strauss, M. Stroehmer, R. Strom, D. Stutte, L. Sumowidagdo, S. Svoisky, P. Takahashi, M. Tanasijczuk, A. Taylor, W. Tiller, B. Titov, M. Tokmenin, V. V. Torchiani, I. Tsybychev, D. Tuchming, B. Tully, C. Tuts, P. M. Unalan, R. Uvarov, L. Uvarov, S. Uzunyan, S. van den Berg, P. J. Van Kooten, R. van Leuwen, W. M. Varelas, N. Varnes, E. W. Vasilyev, I. A. Verdier, P. Vertogradov, L. S. Verzocchi, M. Vesterinen, M. Vilanova, D. Vint, P. Vokac, P. Wagner, R. Wahl, H. D. Wang, M. H. L. S. Warchol, J. Watts, G. Wayne, M. Weber, G. Weber, M. Welty-Rieger, L. Wenger, A. Wetstein, M. White, A. Wicke, D. Williams, M. R. J. Wilson, G. W. Wimpenny, S. J. Wobisch, M. Wood, D. R. Wyatt, T. R. Xie, Y. Xu, C. Yacoob, S. Yamada, R. Zeitnitz, C. Zelitch, S. Zhao, T. Zhou, B. Zhu, J. Zielinski, M. Zieminska, D. Zivkovic, L. Zutshi, V. Zverev, E. G. CA DO Collaboration TI A novel method for modeling the recoil in W boson events at hadron colliders SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE W; Z; Mass; Width; Hadron; Collider; Tevatron; D0; Recoil ID GAUGE THEORIES; DETECTOR AB We present a new method for modeling the hadronic recoil in W -> lv events produced at hadron colliders. The recoil is chosen from a library of recoils in Z -> ll data events and overlaid on a simulated W -> lv event. Implementation of this method requires that the data recoil library describe the proper-ties of the measured recoil as a function of the true, rather than the measured, transverse momentum of the boson. We address this issue using a multidimensional Bayesian unfolding technique. We estimate the statistical and systematic uncertainties from this method for the W boson mass and width measurements assuming 1 fb(-1) of data from the Fermilab Tevatron. The uncertainties are found to be small and comparable to those of a more traditional parameterized recoil model. For the highprecision measurements that will be possible with data from Run 11 of the Fermilab Tevatron and from the CERN LHC, the method presented in this paper may be advantageous, since it does not require an understanding of the measured recoil from first principles. (C) 2009 Elsevier B.V. All rights reserved. C1 [Chakrabarti, S.; Grannis, P. D.; Guo, F.; Guo, J.; Hobbs, J. D.; Hu, Y.; McCarthy, R.; Rijssenbeek, M.; Schamberger, R. D.; Strauss, E.; Tsybychev, D.; Zhu, J.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Otero y Garzon, G. J.; Piegaia, R.; Tanasijczuk, A.] Univ Buenos Aires, Buenos Aires, DF, Argentina. [Alves, G. A.; Barreto, J.; Maciel, A. K. A.; Pol, M. -E.] Ctr Brasileiro Pesquisas Fis, LAFEX, Rio De Janeiro, Brazil. [Begalli, M.; Carvalho, W.; Mundim, L.; Nogima, H.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Gregores, E. M.] Univ Fed ABC, Santo Andre, Brazil. [Lietti, S. M.; Novaes, S. F.] Univ Estadual Paulista, Inst Fis Teor, BR-01405 Sao Paulo, Brazil. [Beale, S.; Gillberg, D.; Moore, R. W.; Taylor, W.] Univ Alberta, Edmonton, AB, Canada. [Beale, S.; Gillberg, D.; Moore, R. W.; Taylor, W.] Simon Fraser Univ, Burnaby, BC V5A 1S6, Canada. [Beale, S.; Gillberg, D.; Moore, R. W.; Taylor, W.] York Univ, Toronto, ON M3J 2R7, Canada. [Beale, S.; Gillberg, D.; Moore, R. W.; Taylor, W.] McGill Univ, Montreal, PQ, Canada. [Bu, X. B.; Han, L.; Liu, Y.; Taylor, W.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Avila, C.; Gomez, B.; Mendoza, L.; Negret, J. P.] Univ Los Andes, Bogota, Colombia. [Kvita, J.; Soustruznik, K.] Charles Univ Prague, Fac Math & Phys, Ctr Particle Phys, Prague, Czech Republic. [Hubacek, Z.; Hynek, V.; Otec, R.; Simak, V.; Vokac, P.] Czech Tech Univ, CR-16635 Prague, Czech Republic. [Kupco, A.; Lokajicek, M.] Acad Sci Czech Republic, Inst Phys, Ctr Particle Phys, Prague, Czech Republic. [Hoeneisen, B.] Univ San Francisco Quito, Quito, Ecuador. [Badaud, F.; Gay, P.; Gris, Ph.; Lacroix, F.] Univ Clermont Ferrand, CNRS IN2P3, LPC, Clermont, France. [Arnoud, Y.; Martin, B.; Sajot, G.; Stark, J.] Univ Grenoble 1, CNRS IN2P3, Inst Natl Polytech Grenoble, LPSC, F-38031 Grenoble, France. [Barfuss, A. -F.; Calpas, B.; Cousinou, M. -C.; Duperrin, A.; Escalier, M.; Geng, W.; Jamin, D.; Kajfasz, E.; Kermiche, S.; Muanza, G. S.; Nagy, E.] Aix Marseille Univ, CNRS IN2P3, CPPM, Marseille, France. [Calvet, S.; Duflot, L.; Grivaz, J. -F.; Jaffre, M.; Ochando, C.; Rangel, M. S.] Univ Paris 11, IN2P3 CNRS, LAL, Orsay, France. [Bernardi, G.; Huske, N.; Lellouch, J.] Univ Paris 06, IN2P3 CNRS, LPNHE, Paris, France. [Bernardi, G.; Huske, N.; Lellouch, J.] Univ Paris 07, IN2P3 CNRS, LPNHE, Paris, France. [Arthaud, M.; Bassler, U.; Besancon, M.; Couderc, F.; Deliot, F.; Grohsjean, A.; Royon, C.; Shary, V.; Titov, M.; Tuchming, B.; Vilanova, D.] CEA, Irfu, SPP, Saclay, France. [Brown, D.; Geist, W.; Greder, S.; Ripp-Baudot, I.; Siccardi, V.] Univ Strasbourg, CNRS IN2P3, IPHC, Strasbourg, France. [Grenier, G.; Kurca, T.; Lebrun, P.; Verdier, P.] Univ Lyon 1, CNRS IN2P3, IPNL, F-69622 Villeurbanne, France. [Grenier, G.; Kurca, T.; Lebrun, P.; Verdier, P.] Univ Lyon, Lyon, France. [Hebbeker, T.; Kirsch, M.; Meyer, A.] Rhein Westfal TH Aachen, Phys Inst A 3, Aachen, Germany. [Buescher, V.; Hohlfeld, M.; Mundal, O.; Pleier, M. -A.] Univ Bonn, Inst Phys, D-5300 Bonn, Germany. [Bernhard, R.; Jakobs, K.; Konrath, J. -P; Nilsen, H.; Penning, B.; Torchiani, I.; Wenger, A.] Univ Freiburg, Inst Phys, Freiburg, Germany. [Hensel, C.; Meyer, J.; Park, S. -J.; Quadt, A.; Shabalina, E.] Univ Gottingen, Inst Phys 2, Gottingen, Germany. [Fiedler, F.; Kuhl, T.; Weber, G.; Wicke, D.] Johannes Gutenberg Univ Mainz, Inst Phys, D-6500 Mainz, Germany. [Calfayan, R.; Haefner, R.; Nunnemann, T.; Sanders, M. P.; Schaile, D.; Stroehmer, R.; Tiller, B.] Univ Munich, Munich, Germany. [Maettig, R.; Schliephake, T.; Zeitnitz, C.] Univ Wuppertal, Fachbereich Phys, Wuppertal, Germany. [Beri, S. B.; Bhatnagar, V.; Dutt, S.; Kohli, J. M.] Panjab Univ, Chandigarh 160014, India. [Choudhary, B.; Dubey, A.; Ranjan, K.; Shivpuri, R. K.] Univ Delhi, Delhi 110007, India. [Acharya, B. S.; Banerjee, S.; Mondal, N. K.] Tata Inst Fundamental Res, Mumbai 400005, Maharashtra, India. [Cwiok, M.; Gruenewald, M. W.] Univ Coll Dublin, Dublin 2, Ireland. [Cho, S. W.; Lee, H. S.; Lim, J. K.; Park, S. K.] Korea Univ, Korea Detector Lab, Seoul, South Korea. [Choi, S.] Sungkyunkwan Univ, Suwon, South Korea. [Carrasco-Lizarraga, M. A.; Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-De la Cruz, I.; Magana-Villalba, R.; Orduna, J.; Sanchez-Hernandez, A.] CINVESTAV, Mexico City, DF, Mexico. [Hegeman, J. G.; Houben, R.; van den Berg, P. J.; van Leuwen, W. M.] FOM Inst NIKHEF, Amsterdam, Netherlands. [Hegeman, J. G.; Houben, R.; van den Berg, P. J.; van Leuwen, W. M.] Univ Amsterdam NIKHEF, Amsterdam, Netherlands. [Ancu, L. S.; de Jong, S. J.; Filthaut, F.; Galea, C. F.; Meijer, M. M.] Radboud Univ Nijmegen NIKHEF, Nijmegen, Netherlands. [Abazov, V. M.; Alexeev, G. D.; Kharzheeva, Y. N.; Malyshev, V. L.; Tokmenin, V. V.; Vertogradov, L. S.] Joint Inst Nucl Res, Dubna, Russia. [Gavrilov, V.; Polozov, P.; Safronov, G.; Stolin, V.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Boos, E. E.; Bunichev, V.; Dudko, L. V.; Karmanov, D.; Kuzmin, V. A.; Leflat, A.; Merkin, M.; Perfilov, M.; Zverev, E. G.] Moscow MV Lomonosov State Univ, Moscow, Russia. [Bezzubov, V. A.; Evdokimov, V. N.; Kozelov, A. V.; Lipaev, V. V.; Popov, A. V.; Shchukin, A. A.; Stoyanova, D. A.; Vasilyev, I. A.] Inst High Energy Phys, Prorvino, Russia. [Alkhazov, G.; Lobodenko, A.; Neustroev, P.; Obrant, G.; Scheglov, Y.; Uvarov, L.; Uvarov, S.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Asman, B.; Belanger-Champagne, C.] Stockholm Univ, S-10691 Stockholm, Sweden. [Asman, B.; Belanger-Champagne, C.] Uppsala Univ, Uppsala, Sweden. [Bertram, I.; Borissov, G.; Fox, H.; Love, P.; Rakitine, A.; Ratoff, P. N.; Sopczak, A.; Williams, M. R. J.] Univ Lancaster, Lancaster, England. [Bauer, D.; Beuselinck, R.; Buszello, C. P.; Christoudias, T.; Davies, G.; Hays, J.; Jesik, R.; Jonsson, R.; Osman, N.; Robinson, S.; Scanlon, T.; Vint, P.] Univ London Imperial Coll Sci Technol & Med, London, England. [Harder, K.; Owen, M.; Peters, K.; Peters, Y.; Rich, P.; Schwanenberger, C.; Soeldner-Rembold, S.; Takahashi, M.; Vesterinen, M.; Wyatt, T. R.] Univ Manchester, Manchester, Lancs, England. [Cheu, E.; Das, A.; Johns, K.; Mal, P. K.; Varnes, E. W.] Univ Arizona, Tucson, AZ 85721 USA. [Hall, R. E.] Calif State Univ Fresno, Fresno, CA 93740 USA. [Chandra, A.; Ellison, J.; Heinson, A. P.; Li, L.; Padilla, M.; Wimpenny, S. J.] Univ Calif Riverside, Riverside, CA 92521 USA. [Adams, T.; Askew, A.; Atramentov, O.; Blessing, S.; Carrera, E.; Duggan, D.; Gershtein, Y.; Hagopian, S.; Hoang, T.; Sekaric, J.; Sumowidagdo, S.; Wahl, H. D.] Florida State Univ, Tallahassee, FL 32306 USA. [Aoki, M.; Bagby, L.; Baldin, B.; Bartlett, J. F.; Bellantoni, L.; Bellavance, A.; Bhat, P. C.; Boehnlein, A.; Bross, A.; Casey, B. C. K.; Cihangir, S.; Cooke, M.; Cooper, W. E.; Demarteau, M.; Denisov, D.; Desai, S.; Diehl, H. T.; Diesburg, M.; Elvira, V. D.; Fisher, W.; Fisk, H. E.; Fu, S.; Fuess, S.; Ginther, G.; Greenlee, H.; Gruenendahl, S.; Gutierrez, G.; Illingworth, R.; Ito, A. S.; Johnson, M.; Jonckheere, A.; Juste, A.; Kasper, P. A.; Khalatyan, N.; Klima, B.; Lee, W. M.; Li, Q. Z.; Lincoln, D.; Lipton, R.; Lyon, A. L.; Merritt, K. W.; Montgomery, H. E.; Naimuddin, M.; Oshima, N.; Podstavkov, V. M.; Rubinov, P.; Sanghi, B.; Savage, G.; Sirotenko, V.; Stutte, L.; Verzocchi, M.; Weber, M.; Yamada, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Adams, M.; Gerber, C. E.; Strom, D.; Varelas, N.] Univ Illinois, Chicago, IL 60607 USA. [Blazey, G.; Chakraborty, D.; Dyshkant, A.; Fortner, M.; Hedin, D.; Menezes, D.; Uzunyan, S.; Zutshi, V.] Univ Illinois, De Kalb, IL 60115 USA. [Andeen, T.; Anzelc, M. S.; Buchholz, D.; Kirby, M. H.; Schellman, H.; Yacoob, S.] Northwestern Univ, Evanston, IL 60208 USA. [Evans, H.; Lammers, S.; Parua, N.; Van Kooten, R.; Welty-Rieger, L.] Indiana Univ, Bloomington, IN 47405 USA. [Chan, K. M.; Hildreth, M. D.; Lam, D.; Osta, J.; Pogorelov, Y.; Ruchti, R.; Smirnov, D.; Warchol, J.; Wayne, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, IN 46323 USA. [Hauptman, J. M.] Iowa State Univ, Ames, IA 50011 USA. [Baringer, R.; Bean, A.; Clutter, J.; McGivern, C. L.; Moulik, T.; Wilson, G. W.] Univ Kansas, Lawrence, KS 66045 USA. [Ahsan, M.; Bandurin, D. V.; Bolton, T. A.; Ferapontov, A. V.; Maravin, Y.; Onoprienko, D.; Shamim, M.] Kansas State Univ, Manhattan, KS 66506 USA. [Arov, M.; Greenwood, Z. D.; Sawyer, L.; Wobisch, M.] Louisiana Tech Univ, Ruston, LA 71272 USA. [Eno, S.; Ferbel, T.; Wetstein, M.] Univ Maryland, College Pk, MD 20742 USA. [Boline, D.; Bose, T.; Cho, D. K.; Heintz, U.; Jabeen, S.] Boston Univ, Boston, MA 02215 USA. [Alverson, G.; Barberis, E.; Facini, G.; Hesketh, G.; Wood, D. R.] Northeastern Univ, Boston, MA 02115 USA. [Alton, A.; Herner, K.; Neal, H. A.; Qian, J.; Strandberg, J.; Xu, C.; Zhou, B.; Zieminska, D.] Univ Michigan, Ann Arbor, MI 48109 USA. [Abolins, M.; Benitez, J. A.; Brock, R.; Edmunds, D.; Geng, W.; Hall, I.; Kraus, J.; Linnemann, J.; Piper, J.; Schwienhorst, R.; Unalan, R.] Michigan State Univ, E Lansing, MI 48824 USA. [Melnitchouk, A.; Quinn, B.] Univ Mississippi, University, MS 38677 USA. [Bloom, K.; Claes, D.; DeVaughan, K.; Dominguez, A.; Eads, M.; Johnston, D.; Katsanos, I.; Malik, S.; Snow, G. R.] Univ Nebraska, Lincoln, NE 68588 USA. [Haley, J.; Tully, C.; Wagner, R.] Princeton Univ, Princeton, NJ 08544 USA. [Lashvili, I.; Kharchilava, A.; Kumar, A.; Strang, M. A.] SUNY Buffalo, Buffalo, NY 14260 USA. [Brooijmans, G.; Gadfort, T.; Haas, A.; Johnson, C.; Mulhearn, M.; Parsons, J.; Tuts, P. M.; Zivkovic, L.] Columbia Univ, New York, NY 10027 USA. [Cammin, J.; Demina, R.; Ferbel, T.; Garcia-Bellido, A.; Ginther, G.; Harel, A.; Slattery, P.; Wang, M. H. L. S.; Zielinski, M.] Univ Rochester, Rochester, NY 14627 USA. [Begel, M.; Evdokimov, A.; Patwa, A.; Protopopescu, S.; Snyder, S.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Snow, J.] Langston Univ, Langston, OK 73050 USA. [Abbott, B.; Gutierrez, P.; Hossain, S.; Jain, S.; Rominsky, M.; Severini, H.; Skubic, P.; Strauss, M.] Univ Oklahoma, Norman, OK 73019 USA. [Khanov, A.; Rizatdinova, F.] Oklahoma State Univ, Stillwater, OK 74078 USA. [Cutts, D.; Enari, Y.; Khatidze, D.; Landsberg, G.; Narain, M.; Pangilinan, M.; Partridge, R.; Xie, Y.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; De, K.; Kaushik, V.; Sosebee, M.; Spurlock, B.; White, A.] Univ Texas Arlington, Arlington, TX 76019 USA. [Kehoe, R.] So Methodist Univ, Dallas, TX 75275 USA. [Bargassa, P.; Corcoran, M.; Mackin, D.; Padley, P.; Prewitt, M.; Renkel, P.] Rice Univ, Houston, TX 77005 USA. [Buehler, M.; Hirosky, R.; Zelitch, S.] Univ Virginia, Charlottesville, VA 22901 USA. [BackusMayes, J.; Burnett, T. H.; Dorland, T.; Goussiou, A.; Lubatti, H. J.; Schlobohm, S.; Watts, G.; Zhao, T.] Univ Washington, Seattle, WA 98195 USA. RP Zhu, J (reprint author), SUNY Stony Brook, Stony Brook, NY 11794 USA. EM junjie@fnal.gov RI Fisher, Wade/N-4491-2013; De, Kaushik/N-1953-2013; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Lokajicek, Milos/G-7800-2014; Kupco, Alexander/G-9713-2014; Kozelov, Alexander/J-3812-2014; Guo, Jun/O-5202-2015; Li, Liang/O-1107-2015; Bargassa, Pedrame/O-2417-2016; Mundim, Luiz/A-1291-2012; Ancu, Lucian Stefan/F-1812-2010; Shivpuri, R K/A-5848-2010; Gutierrez, Phillip/C-1161-2011; bu, xuebing/D-1121-2012; Dudko, Lev/D-7127-2012; Leflat, Alexander/D-7284-2012; Perfilov, Maxim/E-1064-2012; Boos, Eduard/D-9748-2012; Merkin, Mikhail/D-6809-2012; Novaes, Sergio/D-3532-2012; Mercadante, Pedro/K-1918-2012; Yip, Kin/D-6860-2013; OI De, Kaushik/0000-0002-5647-4489; Sharyy, Viatcheslav/0000-0002-7161-2616; Guo, Jun/0000-0001-8125-9433; Li, Liang/0000-0001-6411-6107; Bean, Alice/0000-0001-5967-8674; Bargassa, Pedrame/0000-0001-8612-3332; Carrera, Edgar/0000-0002-0857-8507; Mundim, Luiz/0000-0001-9964-7805; Ancu, Lucian Stefan/0000-0001-5068-6723; Dudko, Lev/0000-0002-4462-3192; Novaes, Sergio/0000-0003-0471-8549; Heredia De La Cruz, Ivan/0000-0002-8133-6467; Yip, Kin/0000-0002-8576-4311; Christoudias, Theodoros/0000-0001-9050-3880; Williams, Mark/0000-0001-5448-4213; Belanger-Champagne, Camille/0000-0003-2368-2617 FU DOE; NSF (USA); CEA; CNRS/IN2P3 (France); FASI; Rosatom and RFBR (Russia); CNPq; FAPERJ; FAPESP; FUNDUNESP (Brazil); DAE; DST (India); Colciencias (Colombia); CONACyT (Mexico); KRF; KOSEF (Korea); CONICET; UBACyT (Argentina); FOM (The Netherlands); STFC; Royal Society (United Kingdom); MSMT; GACR (Czech Republic); CRC Program; CFl; NSERC; WestGrid Project (Canada); BMBF; DFG (Germany); SFI (Ireland); Swedish Research Council (Sweden); CAS; CNSF (China); Alexander von Humboldt Foundation (Germany) FX We thank the staffs at Fermilab and collaborating institutions, and acknowledge support from the DOE and NSF (USA); CEA and CNRS/IN2P3 (France); FASI, Rosatom and RFBR (Russia); CNPq, FAPERJ, FAPESP and FUNDUNESP (Brazil); DAE and DST (India); Colciencias (Colombia); CONACyT (Mexico); KRF and KOSEF (Korea); CONICET and UBACyT (Argentina); FOM (The Netherlands); STFC and the Royal Society (United Kingdom); MSMT and GACR (Czech Republic); CRC Program, CFl, NSERC and WestGrid Project (Canada); BMBF and DFG (Germany); SFI (Ireland); The Swedish Research Council (Sweden); CAS and CNSF (China); and the Alexander von Humboldt Foundation (Germany). NR 24 TC 4 Z9 4 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 11 PY 2009 VL 609 IS 2-3 BP 250 EP 262 DI 10.1016/j.nima.2009.08.056 PG 13 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 516NC UT WOS:000271548200027 ER PT J AU Flechsig, U Jaggi, A Spielmann, S Padmore, HA MacDowell, AA AF Flechsig, U. Jaggi, A. Spielmann, S. Padmore, H. A. MacDowell, A. A. TI The optics beamline at the Swiss Light Source SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Crystal monochromator; Channel cut; Photon flux ID PERFORMANCE; MONOCHROMATOR; METROLOGY; DESIGN; MIRROR AB We present the successful installation and the performance of a new beamline for optics and instrumentation research and developments at the Swiss Light Source. The beamline covers the photon energy range from 5.5 to 22.5 keV at a bending magnet with a cryogenically cooled Si(l 11) channel cut monochromator followed by a bendable toroidal mirror with 1:1 focusing. Monochromator and focusing mirror can be retracted independently to allow monochromatic and pink beam mode with and without focusing. In focused monochromatic mode we measured a usable photon flux of 2 x 10(11) photons/s at 11 keV within a focus of 70 mu m x 140 mu m (FWHM v x h). The higher order contamination has been determined with absorption foils. We measured 0.025% of second order light at 9 keV and 17% of third order contamination at 6 keV. In pink beam mode we measured with a thermopile sensor a radiation power of 10.6 W for 1 mrad acceptance. (C) 2009 Elsevier B.V. All rights reserved. C1 [Flechsig, U.; Jaggi, A.; Spielmann, S.] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. [Padmore, H. A.; MacDowell, A. A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Flechsig, U (reprint author), Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. EM uwe.flechsig@psi.ch RI MacDowell, Alastair/K-4211-2012 NR 19 TC 20 Z9 20 U1 2 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 11 PY 2009 VL 609 IS 2-3 BP 281 EP 285 DI 10.1016/j.nima.2009.07.092 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 516NC UT WOS:000271548200031 ER PT J AU Hatayama, M Takenaka, H Gullikson, EM Suda, A Midorikawa, K AF Hatayama, Masatoshi Takenaka, Hisataka Gullikson, Eric M. Suda, Akira Midorikawa, Katsumi TI Broadband extreme ultraviolet multilayer mirror for supercontinuum light at a photon energy of 35-65 eV SO APPLIED OPTICS LA English DT Article ID ATTOSECOND PULSES; NONLINEAR OPTICS; RANGE; NM AB We have developed a broadband multilayer mirror for photon energies between 35 and 65 eV. This extreme ultraviolet (EUV) mirror has an almost flat reflectivity profile at normal incidence, and the average reflectivity is 8%. The bandwidth of this mirror is 30 eV centered around 50 eV, 1.5 times broader than conventional multilayer mirrors in this energy region. This new mirror can be used in a variety of applications using supercontinuum EUV light sources including attosecond metrology. (C) 2009 Optical Society of America C1 [Suda, Akira; Midorikawa, Katsumi] RIKEN Adv Sci Inst, Wako, Saitama 3510198, Japan. [Hatayama, Masatoshi; Midorikawa, Katsumi] Saitama Univ, Grad Sch Sci & Engn, Saitama 3388570, Japan. [Hatayama, Masatoshi; Takenaka, Hisataka] NTT AT Nanofabricat Cooperat, Kanagawa 2430018, Japan. [Gullikson, Eric M.] Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Suda, A (reprint author), RIKEN Adv Sci Inst, 2-1 Hirosawa, Wako, Saitama 3510198, Japan. EM asuda@riken.jp RI Midorikawa, Katsumi/B-6335-2015; Suda, Akira/P-8994-2015 OI Midorikawa, Katsumi/0000-0002-0588-519X; Suda, Akira/0000-0002-0165-8539 NR 16 TC 5 Z9 5 U1 0 U2 6 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD OCT 10 PY 2009 VL 48 IS 29 BP 5464 EP 5466 DI 10.1364/AO.48.005464 PG 3 WC Optics SC Optics GA 505DC UT WOS:000270667800006 PM 19823227 ER PT J AU Windt, DL Bellotti, JA Kjomrattanawanich, B Seely, JF AF Windt, David L. Bellotti, Jeffrey A. Kjomrattanawanich, Benjawan Seely, John F. TI Performance optimization of Si/Gd extreme ultraviolet multilayers SO APPLIED OPTICS LA English DT Article ID GADOLINIUM; MISSION; FILMS AB We compare the performance, stability and microstructure of Si/Gd multilayers containing thin barrier layers of W, B4C, or SiNx, and determine that multilayers containing 0.6 nm thick W barrier layers at each interface provide the best compromise between high peak reflectance in the extreme ultraviolet near lambda = 60 nm and good stability upon heating. The Si/W/Gd films have sharper interfaces and also show vastly superior thermal stability relative to Si/Gd multilayers without barrier layers. We find that these structures have relatively small compressive film stresses, and show good temporal stability thus far. We measured a peak reflectance of 29.7% at lambda = 62.5 nm, and a spectral bandpass of Delta lambda = 9 nm (FWHM), for an optimized Si/W/Gd multilayer having a period d = 32.0 nm. (C) 2009 Optical Society of America C1 [Windt, David L.; Bellotti, Jeffrey A.] Reflect Xray Opt LLC, New York, NY 10027 USA. [Kjomrattanawanich, Benjawan] Univ Space Res Assoc, Brookhaven Natl Lab, Upton, NY 11973 USA. [Seely, John F.] USN, Res Lab, Washington, DC 20375 USA. RP Windt, DL (reprint author), Reflect Xray Opt LLC, 1361 Amsterdam Ave,Suite 3B, New York, NY 10027 USA. EM davidwindt@gmail.com FU NASA Small Business Innovation Research [NNM07AA41C, NNM08AA24C] FX This research was sponsored by NASA Small Business Innovation Research contract numbers NNM07AA41C and NNM08AA24C. NR 8 TC 2 Z9 2 U1 0 U2 5 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD OCT 10 PY 2009 VL 48 IS 29 BP 5502 EP 5508 DI 10.1364/AO.48.005502 PG 7 WC Optics SC Optics GA 505DC UT WOS:000270667800012 PM 19823233 ER PT J AU Sikora, M Stawarz, L Moderski, R Nalewajko, K Madejski, GM AF Sikora, Marek Stawarz, Lukasz Moderski, Rafall Nalewajko, Krzysztof Madejski, Greg M. TI CONSTRAINING EMISSION MODELS OF LUMINOUS BLAZAR SOURCES SO ASTROPHYSICAL JOURNAL LA English DT Article DE acceleration of particles; galaxies: active; galaxies: jets; gamma rays: theory; quasars: general; radiation mechanisms: non-thermal ID GAMMA-RAY EMISSION; BL LACERTAE OBJECTS; SPECTRAL ENERGY-DISTRIBUTIONS; MAGNETOSONIC SHOCK-WAVES; LINE ARRAY OBSERVATIONS; EGRET-DETECTED QUASARS; ACTIVE GALACTIC NUCLEI; RADIO-LOUD QUASARS; PARTICLE-ACCELERATION; 3C 454.3 AB Many luminous blazars which are associated with quasar-type active galactic nuclei display broadband spectra characterized by a large luminosity ratio of their high-energy (gamma-ray) and low-energy (synchrotron) spectral components. This large ratio, reaching values up to 100, challenges the standard synchrotron self-Compton models by means of substantial departures from the minimum power condition. Luminous blazars also typically have very hard X-ray spectra, and those in turn seem to challenge hadronic scenarios for the high-energy blazar emission. As shown in this paper, no such problems are faced by the models which involve Comptonization of radiation provided by a broad-line region, or dusty molecular torus. The lack or weakness of bulk-Compton and Klein-Nishina features indicated by the presently available data favors the production of gamma-rays via upscattering of infrared photons from hot dust. This implies that the blazar emission zone is located at parsec-scale distances from the nucleus, and as such is possibly associated with the extended, quasi-stationary reconfinement shocks formed in relativistic outflows. This scenario predicts characteristic timescales for flux changes in luminous blazars to be days/weeks, consistent with the variability patterns observed in such systems at infrared, optical, and gamma -ray frequencies. We also propose that the parsec-scale blazar activity can be occasionally accompanied by dissipative events taking place at sub-parsec distances and powered by internal shocks and/or reconnection of magnetic fields. These could account for the multiwavelength intraday flares occasionally observed in powerful blazar sources. C1 [Sikora, Marek; Moderski, Rafall; Nalewajko, Krzysztof] Nicolaus Copernicus Astron Ctr, PL-00716 Warsaw, Poland. [Stawarz, Lukasz; Madejski, Greg M.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. [Stawarz, Lukasz] Jagiellonian Univ, Astron Observ, PL-30244 Krakow, Poland. [Stawarz, Lukasz; Madejski, Greg M.] Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Sikora, M (reprint author), Nicolaus Copernicus Astron Ctr, Bartycka 18, PL-00716 Warsaw, Poland. EM sikora@camk.edu.pl FU NASA [NNX08AZ77G, NNX09AG12G]; Department of Energy [DE-AE3-76SF00515]; Polish MNiSW [N N203 301635, N N203 380336]; Polish Astroparticle Network [621/E-78/BWSN-0068/2008] FX We acknowledge financial support by NASA grants NNX08AZ77G and NNX09AG12G, by the Department of Energy contract to SLAC No. DE-AE3-76SF00515, by the Polish MNiSW grant N N203 301635, N N203 380336, and the Polish Astroparticle Network 621/E-78/BWSN-0068/2008. NR 74 TC 138 Z9 139 U1 6 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD OCT 10 PY 2009 VL 704 IS 1 BP 38 EP 50 DI 10.1088/0004-637X/704/1/38 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 499KR UT WOS:000270219500004 ER PT J AU Zingale, M Almgren, AS Bell, JB Nonaka, A Woosley, SE AF Zingale, M. Almgren, A. S. Bell, J. B. Nonaka, A. Woosley, S. E. TI LOW MACH NUMBER MODELING OF TYPE IA SUPERNOVAE. IV. WHITE DWARF CONVECTION SO ASTROPHYSICAL JOURNAL LA English DT Article DE convection; hydrodynamics; methods: numerical; nuclear reactions, nucleosynthesis, abundances; supernovae: general; white dwarfs ID HYPERBOLIC CONSERVATION-LAWS; DETONATION MODEL; CARBON IGNITION; HYDRODYNAMICS; SIMULATIONS; EVOLUTION; FLAMES; DEFLAGRATIONS; ENHANCEMENT; PROPAGATION AB We present the first three-dimensional, full-star simulations of convection in a white dwarf preceding a Type Ia supernova, specifically the last few hours before ignition. For these long-time calculations, we use our low Mach number hydrodynamics code, MAESTRO, which we have further developed to treat spherical stars centered in a three-dimensional Cartesian geometry. The main change required is a procedure to map the one-dimensional radial base state to and from the Cartesian grid. Our models recover the dipole structure of the flow seen in previous calculations, but our long-time integration shows that the orientation of the dipole changes with time. Furthermore, we show the development of gravity waves in the outer, stable portion of the star. Finally, we evolve several calculations to the point of ignition and discuss the range of ignition radii. C1 [Zingale, M.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Almgren, A. S.; Bell, J. B.; Nonaka, A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. [Woosley, S. E.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. RP Zingale, M (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. OI Zingale, Michael/0000-0001-8401-030X FU DOE [DE-FG02-06ER41448, DE-AC02-05CH11231, DE-FC02-06ER41438, DE-AC05-00OR22725, DE-AC02-06CH11357] FX Computer time for the supporting calculations presented here was provided by Livermore Computing's Atlas machine through LLNL's Multiprogrammatic & Institutional Computing Program. The test problem calculation used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U. S. Department of Energy under contract DE-AC02-06CH11357. Some visualizations were performed using the VisIt package. We thank Gunther Weber for his assistance with VisIt. NR 41 TC 46 Z9 46 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD OCT 10 PY 2009 VL 704 IS 1 BP 196 EP 210 DI 10.1088/0004-637X/704/1/196 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 499KR UT WOS:000270219500017 ER PT J AU Woosley, SE Kerstein, AR Sankaran, V Aspden, AJ Ropke, FK AF Woosley, S. E. Kerstein, A. R. Sankaran, V. Aspden, A. J. Roepke, F. K. TI TYPE Ia SUPERNOVAE: CALCULATIONS OF TURBULENT FLAMES USING THE LINEAR EDDY MODEL SO ASTROPHYSICAL JOURNAL LA English DT Article DE hydrodynamics; shock waves; supernovae: general; turbulence ID DIRECT NUMERICAL SIMULATIONS; FLUID DYNAMICAL SIMULATIONS; RAYLEIGH-TAYLOR INSTABILITY; SUBGRID SCALE-MODEL; NUCLEAR FLAMES; WHITE-DWARFS; DETONATION TRANSITION; CARBON IGNITION; PREMIXED FLAMES; MASSIVE STARS AB The nature of carbon burning flames in Type Ia supernovae is explored as they interact with Kolmogorov turbulence. One-dimensional calculations using the Linear Eddy Model of Kerstein elucidate three regimes of turbulent burning. In the simplest case, large-scale turbulence folds and deforms thin laminar flamelets to produce a flame brush with a total burning rate given approximately by the speed of turbulent fluctuations on the integral scale, U-L, This is the regime where the supernova explosion begins and where most of its pre-detonation burning occurs. As the density declines, turbulence starts to tear the individual flamelets, making broader structures that move faster. For a brief time, these turbulent flamelets are still narrow compared to their spacing and the concept of a flame brush moving with an overall speed of UL remains valid. However, the typical width of the individual flamelets, which is given by the condition that their turnover time equals their burning time, continues to increase as the density declines. Eventually, mixed regions almost as large as the integral scale itself are transiently formed. At that point, a transition to detonation can occur. The conditions for such a transition are explored numerically and it is estimated that the transition will occur for densities near 1 x 10(7) g cm(-3), provided the turbulent speed on the integral scale exceeds about 20% sonic. An example calculation shows the details of a detonation actually developing. C1 [Woosley, S. E.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Kerstein, A. R.; Sankaran, V.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Aspden, A. J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. [Roepke, F. K.] Max Planck Inst Astrophys, D-85741 Garching, Germany. RP Woosley, SE (reprint author), Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. EM woosley@ucolick.org; arkerst@sandia.gov; AJAspden@lbl.gov; fritz@mpa-Garching.mpg.de RI Aspden, Andy/A-7391-2017; OI Aspden, Andy/0000-0002-2970-4824; Ropke, Friedrich/0000-0002-4460-0097 FU NASA [NNG05GG08G]; DOE [DE-FC02-06ER41438, AC04-94AL85000]; SciDAC [DE-AC02-05CH11231]; Seaborg Fellowship FX The authors gratefully acknowledges helpful conversations on the subject of the paper with John Bell, Wolfgang Hillebrandt, and Martin Lisewski. At UCSC, this research was supported by the NASA Theory Program (NNG05GG08G) and the DOE SciDAC Program (DE-FC02-06ER41438). Research at LBNL was also supported by the SciDAC Program (DE-AC02-05CH11231). A. Aspden was also supported at LBNL by a Seaborg Fellowship. Work at Sandia was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US Department of Energy under contract DE-AC04-94AL85000. The DNS computations presented here were performed on the ATLAS Linux Cluster at LLNL as part of a Grand Challenge Project. NR 44 TC 48 Z9 48 U1 1 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD OCT 10 PY 2009 VL 704 IS 1 BP 255 EP 273 DI 10.1088/0004-637X/704/1/255 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 499KR UT WOS:000270219500022 ER PT J AU Thrane, E Abe, K Hayato, Y Iida, T Ikeda, M Kameda, J Kobayashi, K Koshio, Y Miura, M Moriyama, S Nakahata, M Nakayama, S Obayashi, Y Ogawa, H Sekiya, H Shiozawa, M Suzuki, Y Takeda, A Takenaga, Y Takeuchi, Y Ueno, K Ueshima, K Watanabe, H Yamada, S Vagins, MR Hazama, S Higuchi, I Ishihara, C Kajita, T Kaneyuki, K Mitsuka, G Nishino, H Okumura, K Tanimoto, N Dufour, F Kearns, E Litos, M Raaf, JL Stone, JL Sulak, LR Goldhaber, M Bays, K Casper, D Cravens, JP Kropp, WR Mine, S Regis, C Smy, MB Sobel, HW Ganezer, KS Hill, J Keig, WE Jang, JS Jeong, IS Kim, JY Lim, IT Fechner, M Scholberg, K Walter, CW Wendell, R Tasaka, S Learned, JG Matsuno, S Watanabe, Y Hasegawa, T Ishida, T Ishii, T Kobayashi, T Nakadaira, T Nakamura, K Nishikawa, K Oyama, Y Sakashita, K Sekiguchi, T Tsukamoto, T Suzuki, AT Ichikawa, AK Minamino, A Nakaya, T Yokoyama, M Dazeley, S Svoboda, R Habig, A Fukuda, Y Itow, Y Tanaka, T Jung, CK Lopez, G McGrew, C Yanagisawa, C Tamura, N Idehara, Y Ishino, H Kibayashi, A Sakuda, M Kuno, Y Yoshida, M Kim, SB Yang, BS Ishizuka, T Okazawa, H Choi, Y Seo, HK Furuse, Y Nishijima, K Yokosawa, Y Koshiba, M Totsuka, Y Chen, S Gong, G Heng, Y Xue, T Yang, Z Zhang, H Kielczewska, D Mijakowski, P Connolly, K Dziomba, M Wilkes, RJ AF Thrane, E. Abe, K. Hayato, Y. Iida, T. Ikeda, M. Kameda, J. Kobayashi, K. Koshio, Y. Miura, M. Moriyama, S. Nakahata, M. Nakayama, S. Obayashi, Y. Ogawa, H. Sekiya, H. Shiozawa, M. Suzuki, Y. Takeda, A. Takenaga, Y. Takeuchi, Y. Ueno, K. Ueshima, K. Watanabe, H. Yamada, S. Vagins, M. R. Hazama, S. Higuchi, I. Ishihara, C. Kajita, T. Kaneyuki, K. Mitsuka, G. Nishino, H. Okumura, K. Tanimoto, N. Dufour, F. Kearns, E. Litos, M. Raaf, J. L. Stone, J. L. Sulak, L. R. Goldhaber, M. Bays, K. Casper, D. Cravens, J. P. Kropp, W. R. Mine, S. Regis, C. Smy, M. B. Sobel, H. W. Ganezer, K. S. Hill, J. Keig, W. E. Jang, J. S. Jeong, I. S. Kim, J. Y. Lim, I. T. Fechner, M. Scholberg, K. Walter, C. W. Wendell, R. Tasaka, S. Learned, J. G. Matsuno, S. Watanabe, Y. Hasegawa, T. Ishida, T. Ishii, T. Kobayashi, T. Nakadaira, T. Nakamura, K. Nishikawa, K. Oyama, Y. Sakashita, K. Sekiguchi, T. Tsukamoto, T. Suzuki, A. T. Ichikawa, A. K. Minamino, A. Nakaya, T. Yokoyama, M. Dazeley, S. Svoboda, R. Habig, A. Fukuda, Y. Itow, Y. Tanaka, T. Jung, C. K. Lopez, G. McGrew, C. Yanagisawa, C. Tamura, N. Idehara, Y. Ishino, H. Kibayashi, A. Sakuda, M. Kuno, Y. Yoshida, M. Kim, S. B. Yang, B. S. Ishizuka, T. Okazawa, H. Choi, Y. Seo, H. K. Furuse, Y. Nishijima, K. Yokosawa, Y. Koshiba, M. Totsuka, Y. Chen, S. Gong, G. Heng, Y. Xue, T. Yang, Z. Zhang, H. Kielczewska, D. Mijakowski, P. Connolly, K. Dziomba, M. Wilkes, R. J. CA Super Kamiokande Collaboration TI SEARCH FOR ASTROPHYSICAL NEUTRINO POINT SOURCES AT SUPER-KAMIOKANDE SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: active; gamma rays: bursts; neutrinos; pulsars: general; supernova remnants ID HIGH-ENERGY NEUTRINOS; UPWARD-GOING MUONS; GAMMA-RAY BURSTS; COSMIC-RAYS; GRB 080319B; DISCOVERY; TELESCOPE; ASTRONOMY; DETECTOR AB It has been hypothesized that large fluxes of neutrinos may be created in astrophysical "cosmic accelerators." The primary background for a search for astrophysical neutrinos comes from atmospheric neutrinos, which do not exhibit the pointlike directional clustering that characterizes a distant astrophysical signal. We perform a search for neutrino point sources using the upward-going muon data from three phases of operation (SK-I, SK-II, and SK-III) spanning 2623 days of live time taken from 1996 April 1 to 2007 August 11. The search looks for signals from suspected galactic and extragalactic sources, transient sources, and uncataloged sources. While we find interesting signatures from two objects-RX J1713.7-3946 (97.5% CL) and GRB 991004D (95.3% CL)-these signatures lack compelling statistical significance given trial factors. We set limits on the flux and fluence of neutrino point sources above energies of 1.6 GeV. C1 [Thrane, E.] Univ Minnesota, Dept Phys & Astron, Minneapolis, MN 55455 USA. [Abe, K.; Hayato, Y.; Iida, T.; Kameda, J.; Kobayashi, K.; Koshio, Y.; Miura, M.; Moriyama, S.; Nakahata, M.; Nakayama, S.; Obayashi, Y.; Ogawa, H.; Sekiya, H.; Shiozawa, M.; Suzuki, Y.; Takeda, A.; Takenaga, Y.; Takeuchi, Y.; Ueno, K.; Ueshima, K.; Watanabe, H.; Yamada, S.] Univ Tokyo, Kamioka Observ, Inst Cosm Ray Res, Gifu 5061205, Japan. [Hayato, Y.; Koshio, Y.; Moriyama, S.; Nakahata, M.; Sekiya, H.; Shiozawa, M.; Suzuki, Y.; Takeuchi, Y.; Vagins, M. R.; Kajita, T.; Kaneyuki, K.; Kearns, E.; Stone, J. L.; Smy, M. B.; Sobel, H. W.; Scholberg, K.; Walter, C. W.; Nakamura, K.; Nakaya, T.] Univ Tokyo, IPMU, Chiba 2778568, Japan. [Vagins, M. R.; Bays, K.; Casper, D.; Cravens, J. P.; Kropp, W. R.; Regis, C.; Smy, M. B.; Sobel, H. W.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Hazama, S.; Higuchi, I.; Ishihara, C.; Kajita, T.; Kaneyuki, K.; Mitsuka, G.; Nishino, H.; Okumura, K.; Tanimoto, N.] Univ Tokyo, Res Ctr Cosm Neutrinos, Inst Cosm Ray Res, Chiba 2778582, Japan. [Dufour, F.; Kearns, E.; Litos, M.; Stone, J. L.; Sulak, L. R.] Boston Univ, Dept Phys, Boston, MA 02215 USA. [Goldhaber, M.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Ganezer, K. S.; Hill, J.; Keig, W. E.] Calif State Univ, Dept Phys, Carson, CA 90747 USA. [Jang, J. S.; Jeong, I. S.; Kim, J. Y.; Lim, I. T.] Chonnam Natl Univ, Dept Phys, Kwangju 500757, South Korea. [Fechner, M.; Scholberg, K.; Walter, C. W.; Wendell, R.] Duke Univ, Dept Phys, Durham, NC 27708 USA. [Tasaka, S.] Gifu Univ, Dept Phys, Gifu 5011193, Japan. [Learned, J. G.; Matsuno, S.] Univ Hawaii, Dept Phys & Astron, Honolulu, HI 96822 USA. [Watanabe, Y.] Kanagawa Univ, Fac Engn, Kanagawa 2218686, Japan. [Hasegawa, T.; Ishida, T.; Ishii, T.; Kobayashi, T.; Nakadaira, T.; Nakamura, K.; Nishikawa, K.; Oyama, Y.; Sakashita, K.; Tsukamoto, T.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Suzuki, A. T.] Kobe Univ, Dept Phys, Kobe, Hyogo 6578501, Japan. [Ichikawa, A. K.; Minamino, A.; Nakaya, T.; Yokoyama, M.] Kyoto Univ, Dept Phys, Kyoto 6068502, Japan. [Dazeley, S.; Svoboda, R.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Habig, A.] Univ Minnesota, Dept Phys, Duluth, MN 55812 USA. [Fukuda, Y.] Miyagi Univ Educ, Dept Phys, Sendai, Miyagi 9800845, Japan. [Itow, Y.; Tanaka, T.] Nagoya Univ, Solar Terr Environm Lab, Aichi 4648602, Japan. [Jung, C. K.; Lopez, G.; McGrew, C.; Yanagisawa, C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Tamura, N.] Niigata Univ, Dept Phys, Niigata 9502181, Japan. [Idehara, Y.; Ishino, H.; Kibayashi, A.; Sakuda, M.] Okayama Univ, Dept Phys, Okayama 7008530, Japan. [Kuno, Y.; Yoshida, M.] Osaka Univ, Dept Phys, Osaka 5600043, Japan. [Kim, S. B.; Yang, B. S.] Seoul Natl Univ, Dept Phys, Seoul 151742, South Korea. [Ishizuka, T.] Shizuoka Univ, Dept Syst Engn, Shizuoka 4328561, Japan. [Okazawa, H.] Shizuoka Univ Welf, Dept Informat Social Welf, Shizuoka 4258611, Japan. [Choi, Y.; Seo, H. K.] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. [Furuse, Y.; Nishijima, K.; Yokosawa, Y.] Tokai Univ, Dept Phys, Kanagawa 2591292, Japan. [Koshiba, M.; Totsuka, Y.; Connolly, K.] Univ Tokyo, Tokyo 1130033, Japan. [Chen, S.; Gong, G.; Heng, Y.; Xue, T.; Yang, Z.; Zhang, H.] Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. [Kielczewska, D.; Mijakowski, P.] Warsaw Univ, Inst Expt Phys, PL-00681 Warsaw, Poland. [Dziomba, M.; Wilkes, R. J.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. RP Thrane, E (reprint author), Univ Minnesota, Dept Phys & Astron, Minneapolis, MN 55455 USA. RI Yokoyama, Masashi/A-4458-2011; Nakamura, Kenzo/F-7174-2010; Sobel, Henry/A-4369-2011; Obayashi, Yoshihisa/A-4472-2011; Suzuki, Yoichiro/F-7542-2010; Takeuchi, Yasuo/A-4310-2011; Wilkes, R.Jeffrey/E-6011-2013; Kim, Soo-Bong/B-7061-2014; Ishino, Hirokazu/C-1994-2015; Koshio, Yusuke/C-2847-2015; Kibayashi, Atsuko/K-7327-2015; OI Yokoyama, Masashi/0000-0003-2742-0251; Ishino, Hirokazu/0000-0002-8623-4080; Koshio, Yusuke/0000-0003-0437-8505; Raaf, Jennifer/0000-0002-4533-929X FU Japanese Ministry of Education, Culture, Sports, Science and Technology; U. S. Department of Energy; U. S. National Science Foundation; Korean Research Foundation [BK21]; Korea Science and Engineering Foundation FX The application of this algorithm to searches for astronomical point sources and many details of its design were motivated by discussions with Professor Thompson Burnett who helped develop a similar algorithm for use with the Fermi-GLAST Gamma-ray Space Telescope, and we gratefully acknowledge his input. Data on muon range and neutrino cross sections were graciously provided by M. Reno. The authors gratefully acknowledge the cooperation of the Kamioka Mining and Smelting Company. Super-Kamiokande has been built and operated from funds provided by the Japanese Ministry of Education, Culture, Sports, Science and Technology as well as the U. S. Department of Energy and the U. S. National Science Foundation. Some participants have been supported by funds from the Korean Research Foundation (BK21) and the Korea Science and Engineering Foundation. NR 36 TC 20 Z9 20 U1 0 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD OCT 10 PY 2009 VL 704 IS 1 BP 503 EP 512 DI 10.1088/0004-637X/704/1/503 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 499KR UT WOS:000270219500039 ER PT J AU Jee, MJ Rosati, P Ford, HC Dawson, KS Lidman, C Perlmutter, S Demarco, R Strazzullo, V Mullis, C Bohringer, H Fassbender, R AF Jee, M. J. Rosati, P. Ford, H. C. Dawson, K. S. Lidman, C. Perlmutter, S. Demarco, R. Strazzullo, V. Mullis, C. Boehringer, H. Fassbender, R. TI HUBBLE SPACE TELESCOPE WEAK-LENSING STUDY OF THE GALAXY CLUSTER XMMU J2235.3-2557 AT z similar to 1.4: A SURPRISINGLY MASSIVE GALAXY CLUSTER WHEN THE UNIVERSE IS ONE-THIRD OF ITS CURRENT AGE SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology: observations; dark matter; galaxies: clusters: individual (XMMU J2235.3-2557); galaxies: high-redshift; gravitational lensing; X-rays: galaxies: clusters ID PROBE WMAP OBSERVATIONS; POINT-SPREAD FUNCTION; DARK-MATTER HALOES; ADVANCED CAMERA; X-RAY; PHOTOMETRIC REDSHIFTS; NON-GAUSSIANITY; DEEP FIELD; EVOLUTION; NORMALIZATION AB We present a weak-lensing analysis of the z similar or equal to 1.4 galaxy cluster XMMU J2235.3-2557, based on deep Advanced Camera for Surveys images. Despite the observational challenge set by the high redshift of the lens, we detect a substantial lensing signal at the greater than or similar to 8 sigma level. This clear detection is enabled in part by the high mass of the cluster, which is verified by our both parametric and non-parametric estimation of the cluster mass. Assuming that the cluster follows a Navarro-Frenk-White mass profile, we estimate that the projected mass of the cluster within r = 1 Mpc is (8.5 +/- 1.7) x 10(14) M(circle dot), where the error bar includes the statistical uncertainty of the shear profile, the effect of possible interloping background structures, the scatter in concentration parameter, and the error in our estimation of the mean redshift of the background galaxies. The high X-ray temperature 8.6(-1.2)(+1.3) keV of the cluster recently measured with Chandra is consistent with this high lensing mass. When we adopt the 1 sigma lower limit as a mass threshold and use the cosmological parameters favored by the Wilkinson Microwave Anisotropy Probe 5-year (WMAP5) result, the expected number of similarly massive clusters at z greater than or similar to 1.4 in the 11 square degree survey is N similar to 5 x 10(-3). Therefore, the discovery of the cluster within the survey volume is a rare event with a probability less than or similar to 1% and may open new scenarios in our current understanding of cluster formation within the standard cosmological model. C1 [Jee, M. J.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Rosati, P.] European So Observ, D-85748 Garching, Germany. [Ford, H. C.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Dawson, K. S.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Lidman, C.] European So Observ, Santiago 19, Chile. [Perlmutter, S.] EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Demarco, R.] Univ Concepcion, Dept Astron, Concepcion, Chile. [Strazzullo, V.] Natl Radio Astron Observ, Socorro, NM 87801 USA. [Mullis, C.] Wachovia Corp, Winston Salem, NC 27101 USA. [Boehringer, H.; Fassbender, R.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. RP Jee, MJ (reprint author), Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. OI Fassbender, Rene/0000-0001-7489-0702 FU TABASGO foundation; NASA [GO-10496, GO-10698, NAS 5-26555]; GO-10496 and GO-10698; U. S. Department of Energy [AC02-05CH11231] FX M. J. J. acknowledges support for the current research from the TABASGO foundation presented in the form of the Large Synoptic Survey Telescope Cosmology Fellowship. Financial support for this work was in part provided by NASA through program GO-10496 and GO-10698 from the Space Telescope Science Institute, which is operated by AURA, Inc., under NASA contract NAS 5-26555. This work was also supported in part by the Director, Office of Science, Office of High Energy and Nuclear Physics, of the U. S. Department of Energy under contract no. AC02-05CH11231. We thank Stefano Borgani and Hu Zhan for verifying our estimation of the cluster abundance. NR 57 TC 97 Z9 97 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD OCT 10 PY 2009 VL 704 IS 1 BP 672 EP 686 DI 10.1088/0004-637X/704/1/672 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 499KR UT WOS:000270219500052 ER PT J AU Giannakis, D Rosner, R Fischer, PF AF Giannakis, D. Rosner, R. Fischer, P. F. TI Instabilities in free-surface Hartmann flow at low magnetic Prandtl numbers SO JOURNAL OF FLUID MECHANICS LA English DT Article ID HYDRODYNAMIC STABILITY PROBLEMS; ORR-SOMMERFELD EQUATION; INCLINED PLANE; LIQUID-FILM; ELECTROMAGNETIC-FIELD; PARALLEL FLOWS; LAYER; MAGNETOHYDRODYNAMICS; WAVES AB We study the linear stability of the flow of a viscous electrically conducting capillary fluid on a planar fixed plate in the presence of gravity and a uniform magnetic field, assuming that the plate is either a perfect electrical insulator or a perfect conductor. We first confirm that the Squire transformation for magnetohydrodynamics is compatible with the stress and insulating boundary conditions at the free surface but argue that unless the flow is driven at fixed Galilei and capillary numbers, respectively parameterizing gravity and surface tension, the critical mode is not necessarily two-dimensional. We then investigate numerically how a flow-normal magnetic field and the associated Hartmann steady state affect the soft and hard instability modes of free-surface flow, working in the low-magnetic-Prandtl-number regime of conducting laboratory fluids (Pm <= 10(-4)). Because it is a critical-layer instability (moderately modified by the presence of the free surface), the hard mode exhibits similar behaviour as the even unstable mode in channel Hartmann flow, in terms of both the weak influence of An on its neutral-stability curve and the dependence of its critical Reynolds number Re(c) on the Hartmann number Ha. In contrast, the structure of the soft mode's growth-rate contours in the (Re, alpha) plane, where alpha is the wavenumber, differs markedly between problems with small, but non-zero, Pin and their counterparts in the inductionless limit, Pm SE arrow 0. As derived from large-wavelength approximations and confirmed numerically, the soft mode's critical Reynolds number grows exponentially with Ha in inductionless problems. However, when Pm is non-zero the Lorentz force originating from the steady-state current leads to a modification of Re(c)(Ha) to either a sub-linearly increasing or a decreasing function of Ha, respectively for problems with insulating or perfectly conducting walls. In insulating-wall problems we also observe pairs of counter-propagating Alfven waves, the upstream-propagating wave undergoing an instability driven by energy transferred from the steady-state shear to both of the velocity and magnetic degrees of freedom. Movies are available with the online version of the paper. C1 [Giannakis, D.; Rosner, R.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Rosner, R.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Rosner, R.; Fischer, P. F.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Giannakis, D (reprint author), Univ Chicago, Dept Phys, Chicago, IL 60637 USA. EM dg227@uchicago.edu RI Giannakis, Dimitrios/K-3575-2012 NR 49 TC 1 Z9 1 U1 0 U2 6 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD OCT 10 PY 2009 VL 636 BP 217 EP 277 DI 10.1017/S0022112009007824 PG 61 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 510DQ UT WOS:000271068600010 ER PT J AU Kisslinger, LS Henley, EM Johnson, MB AF Kisslinger, Leonard S. Henley, Ernest M. Johnson, Mikkel B. TI LARGE MIXING ANGLE STERILE NEUTRINOS AND PULSAR VELOCITIES SO MODERN PHYSICS LETTERS A LA English DT Article DE Supernova; pulsars; pulsar kick; sterile neutrinos ID NEUTRON-STARS; MAGNETIC-FIELD; OSCILLATIONS; MATTER AB We investigate the momentum given to a protoneutron star, the pulsar kick, during the first ten seconds after temperature equilibrium is reached. Using a model with two sterile neutrinos obtained by fits to the MiniBooNE and LSND experiments, which is consistent with a new global fit, there is a large mixing angle, and the effective volume for emission is calculated. Using formulations with neutrinos created by URCA processes in a strong magnetic field, so the lowest Landau level has a sizable probability, we find that with known parameters, the asymmetric sterile neutrino emissivity might account for large pulsar kicks. C1 [Kisslinger, Leonard S.] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Henley, Ernest M.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Johnson, Mikkel B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kisslinger, LS (reprint author), Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. EM kissling@andrew.cmu.edu FU DOE [W-7405-ENG-36, DE-FG02-97ER41014] FX This work was supported in part by DOE contracts W-7405-ENG-36 and DE-FG02-97ER41014. The authors thank Terry Goldman; and William Louis, Gerald Garvey and other LANL members of the MiniBooNE Collaboration for helpful discussions. NR 34 TC 7 Z9 7 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-7323 EI 1793-6632 J9 MOD PHYS LETT A JI Mod. Phys. Lett. A PD OCT 10 PY 2009 VL 24 IS 31 BP 2507 EP 2516 DI 10.1142/S0217732309031806 PG 10 WC Physics, Nuclear; Physics, Particles & Fields; Physics, Mathematical SC Physics GA 512CF UT WOS:000271219600004 ER PT J AU Ko, H Zhang, ZX Chueh, YL Ho, JC Lee, J Fearing, RS Javey, A AF Ko, Hyunhyub Zhang, Zhenxing Chueh, Yu-Lun Ho, Johnny C. Lee, Jongho Fearing, Ronald S. Javey, Ali TI Wet and Dry Adhesion Properties of Self-Selective Nanowire Connectors SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID GECKO FOOT-HAIR; SURFACES; ARRAYS; FORCE AB Here, the wet and dry adhesion properties of hybrid Ge/parylene nanowire (NW) connectors are examined. The ability of the NW connectors to bind strongly even under lubricating conditions, such as mineral oil, sheds light on the dominant role of van der Waals interactions in the observed adhesion. The superhydrophobic surface of the NW connectors enables the wet, self-cleaning of contaminant particles from the surface, similar to the lotus effect. In addition, the effect of NW length on the shear adhesion strength, repeated usability, and robustness of the connectors, all critical properties for applications that require reversible binding of components, is examined. C1 [Ko, Hyunhyub; Zhang, Zhenxing; Chueh, Yu-Lun; Ho, Johnny C.; Lee, Jongho; Fearing, Ronald S.; Javey, Ali] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Ko, Hyunhyub; Zhang, Zhenxing; Chueh, Yu-Lun; Ho, Johnny C.; Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Ko, Hyunhyub; Zhang, Zhenxing; Chueh, Yu-Lun; Ho, Johnny C.; Javey, Ali] Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. [Zhang, Zhenxing] Lanzhou Univ, Minist Educ, Key Lab Magnetism & Magnet Mat, Lanzhou 730000, Gansu, Peoples R China. RP Ko, H (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. EM ajavey@eecs.berkeley.edu RI Ho, Johnny/K-5275-2012; Javey, Ali/B-4818-2013; Ko, Hyunhyub/C-4848-2009; Zhang, Zhenxing/A-8762-2008; Chueh, Yu-Lun/E-2053-2013; OI Ho, Johnny/0000-0003-3000-8794; Zhang, Zhenxing/0000-0002-4946-0492; Chueh, Yu-Lun/0000-0002-0155-9987; Lee, Jongho/0000-0003-0398-4220 FU DARPA/DSO; NSF Center of Integrated Nanomechanical Systems; Berkeley Sensor and Actuator Center; China Scholarship Council; Lawrence Berkeley National Laboratory FX H. Ko, Z. Zhang contributed equally. We thank B. E. Schubert and R. Kapadia for insightful discussions. This work was supported by DARPA/DSO, NSF Center of Integrated Nanomechanical Systems, and Berkeley Sensor and Actuator Center. Z. Z. acknowledges a fellowship from the China Scholarship Council. The nanowire synthesis part of this project was supported by a Laboratory Directed Research and Development grant from Lawrence Berkeley National Laboratory. Supporting Information is available online from Wiley InterScience or from the author. NR 25 TC 22 Z9 24 U1 2 U2 27 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD OCT 9 PY 2009 VL 19 IS 19 BP 3098 EP 3102 DI 10.1002/adfm.200901178 PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 510ZJ UT WOS:000271132700010 ER PT J AU Datta, AB Hura, GL Wolberger, C AF Datta, Ajit B. Hura, Greg L. Wolberger, Cynthia TI The Structure and Conformation of Lys63-Linked Tetraubiquitin SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE ubiquitin; X-ray crystallography; small-angle X-ray scattering; Lys63 tetraubiquitin ID LINEAR POLYUBIQUITIN CHAINS; KAPPA-B ACTIVATION; X-RAY SOLUTION; UBIQUITIN CHAINS; MACROMOLECULAR STRUCTURES; SCATTERING; BINDING; RECOGNITION; NEMO; DEGRADATION AB Ubiquitination involves the covalent attachment of the ubiquitin (Ub) C-terminus to the lysine side chain of a substrate protein by an isopeptide bond. The modification can comprise a single Ub moiety or a chain of Ub molecules joined by isopeptide bonds between the C-terminus of one Ub with one of the seven lysine residues in the next Ub. Modification of substrate proteins with Lys63-linked poly-Ub plays a key nondegradative signaling role in many biological processes, including DNA repair and nuclear factor-kappa B activation, whereas substrates modified by Lys48-linked chains are targeted to the proteasome for degradation. The distinct signaling properties of alternatively linked Ub chains presumably stem from structural differences that can be distinguished by effector proteins. We have determined the crystal structure of Lys63 tetra-Ub at a resolution of 1.96 angstrom and performed small-angle X-ray scattering experiments and molecular dynamics simulations to probe the conformation of Lys63 tetra-Ub in solution. The chain adopts a highly extended conformation in the crystal, in contrast with the compact globular fold of Lys48 tetra-Ub. Small-angle X-ray scattering experiments show that the Lys63 tetra-Ub chain is dynamic in solution, adopting an ensemble of conformations that are more compact than the extended form in the crystal. The results of these studies provide a basis for understanding the differences in the behavior and recognition of Lys63 poly-Ub chains. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Datta, Ajit B.; Wolberger, Cynthia] Johns Hopkins Univ, Sch Med, Dept Biophys & Biophys Chem, Baltimore, MD 21205 USA. [Datta, Ajit B.; Wolberger, Cynthia] Johns Hopkins Univ, Sch Med, Howard Hughes Med Inst, Baltimore, MD 21205 USA. [Hura, Greg L.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Phys Biosci Div, Berkeley, CA 94720 USA. RP Wolberger, C (reprint author), Johns Hopkins Univ, Sch Med, Dept Biophys & Biophys Chem, Baltimore, MD 21205 USA. EM cwolberg@jhmi.edu FU Howard Hughes Medical Institute; National Cancer Institute [CA92584] FX This work was supported by the Howard Hughes Medical Institute (A.B.D and C.W.) and the National Cancer Institute (SBDR grant no. CA92584; G.H.). We thank Michal Hammel from the Lawrence Berkeley National Laboratory for helping with the implementation of MES. NR 40 TC 66 Z9 69 U1 2 U2 10 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD OCT 9 PY 2009 VL 392 IS 5 BP 1117 EP 1124 DI 10.1016/j.jmb.2009.07.090 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 504NQ UT WOS:000270624100001 PM 19664638 ER PT J AU Gin, BC Garrahan, JP Geissler, PL AF Gin, Brian C. Garrahan, Juan P. Geissler, Phillip L. TI The Limited Role of Nonnative Contacts in the Folding Pathways of a Lattice Protein SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE Go model; nonnative contacts; lattice model; protein folding; principle of minimum frustration ID ENERGY LANDSCAPE; TRANSITION-STATE; MODEL; MECHANISMS; KINETICS; THERMODYNAMICS; SIMULATION; SEQUENCES; DYNAMICS; EVOLUTION AB Models of protein energetics that neglect interactions between amino acids that are not adjacent in the native state, such as the Go model, encode or underlie many influential ideas on protein folding. Implicit in this simplification is a crucial assumption that has never been critically evaluated in a broad context: Detailed mechanisms of protein folding are not biased by normative contacts, typically argued to be a consequence of sequence design and/or topology. Here we present, using computer simulations of a well-studied lattice heteropolymer model, the first systematic test of this oft-assumed correspondence over the statistically significant range of hundreds of thousands of amino acid sequences that fold to the same native structure. Contrary to previous conjectures, we find a multiplicity of folding mechanisms, suggesting that Go-like models cannot be justified by considerations of topology alone. Instead, we find that the crucial factor in discriminating among topological pathways is the heterogeneity of native contact energies: The order in which native contacts accumulate is profoundly insensitive to omission of nonnative interactions, provided that native contact heterogeneity is retained. This robustness holds over a surprisingly wide range of folding rates for our designed sequences. Mirroring predictions based on the principle of minimum frustration, fast-folding sequences match their Go-like counterparts in both topological mechanism and transit times. Less optimized sequences dwell much longer in the unfolded state and/or off-pathway intermediates than do Go-like models. For dynamics that bridge unfolded and unfolded states, however, even slow folders exhibit topological mechanisms and transit times nearly identical with those of their Go-like counterparts. Our results do not imply a direct correspondence between folding trajectories of Go-like models and those of real proteins, but they do help to clarify key topological and energetic assumptions that are commonly used to justify such caricatures. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Gin, Brian C.; Geissler, Phillip L.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Gin, Brian C.; Geissler, Phillip L.] Univ Calif Berkeley, Lawrence Berkeley Lab, Chem Sci & Phys Biosci Div, Berkeley, CA 94720 USA. [Gin, Brian C.] Univ Calif San Francisco, Sch Med, San Francisco, CA 94143 USA. [Garrahan, Juan P.] Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England. RP Geissler, PL (reprint author), Univ Calif Berkeley, Dept Chem, 207 Gilman Hall, Berkeley, CA 94720 USA. EM geissler@berkeley.edu FU Office of Science of the US Department of Energy [DE-AC-0205CH11231, DE-AC02-05CH11231]; Ruben/Fatt Memorial Endowment; Engineering and Physical Sciences Research Council [GR/S54074/01] FX This research used the resources of the National Energy Research Scientific Computing Center, which was supported by the Office of Science of the US Department of Energy under contract no. DE-AC-0205CH11231. This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Chemical Sciences and Physical Biosciences Divisions, of the US Department of Energy under contract no. DE-AC02-05CH11231. In carrying out this work, B.C.G. was supported by the Ruben/Fatt Memorial Endowment, and J.P.G. was supported by Engineering and Physical Sciences Research Council grant GR/S54074/01. J.P.G. was a Visiting Pitzer Professor at the University of California at Berkeley during the time that this work was initiated. NR 40 TC 25 Z9 25 U1 0 U2 11 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD OCT 9 PY 2009 VL 392 IS 5 BP 1303 EP 1314 DI 10.1016/j.jmb.2009.06.058 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 504NQ UT WOS:000270624100017 PM 19576901 ER PT J AU Zhuang, M Calabrese, MF Liu, J Waddell, MB Nourse, A Hammel, M Miller, DJ Walden, H Duda, DM Seyedin, SN Hoggard, T Harper, JW White, KP Schulman, BA AF Zhuang, Min Calabrese, Matthew F. Liu, Jiang Waddell, M. Brett Nourse, Amanda Hammel, Michal Miller, Darcie J. Walden, Helen Duda, David M. Seyedin, Steven N. Hoggard, Timothy Harper, J. Wade White, Kevin P. Schulman, Brenda A. TI Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases SO MOLECULAR CELL LA English DT Article ID OXIDATIVE STRESS; BTB DOMAIN; TRANSCRIPTION FACTOR; PROTEIN SPOP; E3 LIGASE; F-BOX; SCF; DEGRADATION; ADAPTER; NRF2 AB In the largest E3 ligase subfamily, Cul3 binds a BTB domain, and an associated protein-interaction domain such as MATH recruits substrates for ubiquitination. Here, we present biochemical and structural analyses of the MATH-BTB protein, SPOP. We define a SPOP-binding consensus (SBC) and determine structures revealing recognition of SBCs from the phosphatase Puc, the transcriptional regulator Ci, and the chromatin component MacroH2A. We identify a dimeric SPOP-Cul3 assembly involving a conserved helical structure C-terminal of BTB domains, which we call "3-box" due to its facilitating Cul3 binding and its resemblance to F-/SOCS-boxes in other cullin-based E3s. Structural flexibility between the substrate-binding MATH and Cul3-binding BTB/3-box domains potentially allows a SPOP dimer to engage multiple SBCs found within a single substrate, such as Puc. These studies provide a molecular understanding of how MATH-BTB proteins recruit substrates to Cul3 and how their dimerization and conformational variability may facilitate avid interactions with diverse substrates. C1 [Zhuang, Min; Calabrese, Matthew F.; Miller, Darcie J.; Walden, Helen; Duda, David M.; Seyedin, Steven N.; Hoggard, Timothy; Schulman, Brenda A.] St Jude Childrens Hosp, Dept Biol Struct, Memphis, TN 38105 USA. [Waddell, M. Brett; Nourse, Amanda] St Jude Childrens Hosp, Hartwell Ctr Biotechnol & Bioinformat, Memphis, TN 38105 USA. [Duda, David M.; Schulman, Brenda A.] St Jude Childrens Hosp, Howard Hughes Med Inst, Memphis, TN 38105 USA. [Zhuang, Min; Schulman, Brenda A.] Univ Tennessee, Hlth Sci Ctr, Interdisplinary Program, Memphis, TN 38126 USA. [Liu, Jiang; White, Kevin P.] Univ Chicago, Inst Genom & Syst Biol, Chicago, IL 60637 USA. [Liu, Jiang; White, Kevin P.] Argonne Natl Lab, Chicago, IL 60637 USA. [Liu, Jiang; White, Kevin P.] Univ Chicago, Dept Human Genet, Chicago, IL 60637 USA. [Hammel, Michal] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Hoggard, Timothy] Univ Wisconsin, Dept Biomol Chem, Program Mol & Cellular Biol, Madison, WI 53706 USA. [Harper, J. Wade] Harvard Univ, Dept Pathol, Sch Med, Boston, MA 02115 USA. RP Schulman, BA (reprint author), St Jude Childrens Hosp, Dept Biol Struct, Memphis, TN 38105 USA. EM brenda.schulman@stjude.org OI Seyedin, Steven/0000-0002-6841-968X FU ALSAC (American Lebanese Syrian Associated Charities); NIH [R01GM069530, GM070565, P30CA021765]; Beckman Young InvestigatorAwards; W.M. Keck Foundation; Chicago Biomedical Consortium; Damon Runyon Cancer Research Foundation [DRG 2021-9]; NCRR [RR-1 5301]; U.S. DOE, Office of Basic Energy Sciences [W-31-109-ENG-38, 8.2.2]; HHMI; NCI [CA92584]; DOE [DE-AC03-76SF00098, DE-AC02-05CH11231, DE-AC02-98CH 10886] FX We are grateful to D. King, V. Pagala, K. Kodali, and X. Ding for mass spectrometry; to R. Cassell and P. Rodrigues for peptide synthesis and purification; to C. Ross, A. Fereira, and J. Bollinger for computational support; to L. Borg and A. Voss for technical assistance; to S. Otieno and R. Kriwacki for assistance with CD; to J. Wang and J. Obenauer at the Hartwell Center for bioinformatics; to D.W. Miller and S. Bozeman for administrative support; to D. Scott for advice; and to K.R. Rajashankar and 1. Kurinov for assistance at synchrotron. This work was supported in part by ALSAC (American Lebanese Syrian Associated Charities), grants from the NIH (R01GM069530 to B.A.S., GM070565 to J.W.H., and P30CA021765 to St. Jude), Beckman Young InvestigatorAwards (to B.A.S. and K.P.W.), awards from the W.M. Keck Foundation, and the Searle Funds at The Chicago Community Trust from the Chicago Biomedical Consortium (to K.P.W.). B.A.S. is an Investigator of the Howard Hughes Medical Institute (HHMI). M.F.C. is an HHMI fellow ofthe Damon Runyon Cancer Research Foundation (DRG 2021-9). Northeastern Collaborative Access Team at the Advanced Photon Source (APS) is funded by RR-1 5301 from the NCRR at the NIH. Support for Southeast Regional Collaborative Access Team at the APS may be found at http://www.ser-cat.org/members. html. APS is funded by U.S. DOE, Office of Basic Energy Sciences, Contract W-31-109-ENG-38, 8.2.2 (Advanced Light Source, ALS) is supported by HHMI. Structurally Integrated Biology for Life Sciences Beamline/12.3.1 (ALS) is funded by NCI CA92584 and DOE DE-AC03-76SF00098. ALS is funded by DOE Contract DE-AC02-05CH11231. X25 (National Synchrotron Light Source) is funded by DOE Contract DE-AC02-98CH 10886. NR 60 TC 120 Z9 127 U1 3 U2 23 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 1097-2765 J9 MOL CELL JI Mol. Cell PD OCT 9 PY 2009 VL 36 IS 1 BP 39 EP 50 DI 10.1016/j.molcel.2009.09.022 PG 12 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 510AN UT WOS:000271060500005 PM 19818708 ER PT J AU Aaltonen, T Adelman, J Akimoto, T Gonzalez, BA Amerio, S Amidei, D Anastassov, A Annovi, A Antos, J Apollinari, G Apresyan, A Arisawa, T Artikov, A Ashmanskas, W Attal, A Aurisano, A Azfar, F Badgett, W Barbaro-Galtieri, A Barnes, VE Barnett, BA Barria, P Bartos, P Bartsch, V Bauer, G Beauchemin, PH Bedeschi, F Beecher, D Behari, S Bellettini, G Bellinger, J Benjamin, D Beretvas, A Beringer, J Bhatti, A Binkley, M Bisello, D Bizjak, I Blair, RE Blocker, C Blumenfeld, B Bocci, A Bodek, A Boisvert, V Bolla, G Bortoletto, D Boudreau, J Boveia, A Brau, B Bridgeman, A Brigliadori, L Bromberg, C Brubaker, E Budagov, J Budd, HS Budd, S Burke, S Burkett, K Busetto, G Bussey, P Buzatu, A Byrum, KL Cabrera, S Calancha, C Campanelli, M Campbell, M Canelli, F Canepa, A Carls, B Carlsmith, D Carosi, R Carrillo, S Carron, S Casal, B Casarsa, M Castro, A Catastini, P Cauz, D Cavaliere, V Cavalli-Sforza, M Cerri, A Cerrito, L Chang, SH Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, K Chokheli, D Chou, JP Choudalakis, G Chuang, SH Chung, K Chung, WH Chung, YS Chwalek, T Ciobanu, CI Ciocci, MA Clark, A Clark, D Compostella, G Convery, ME Conway, J Cordelli, M Cortiana, G Cox, CA Cox, DJ Crescioli, F Almenar, CC Cuevas, J Culbertson, R Cully, JC Dagenhart, D Datta, M Davies, T de Barbaro, P De Cecco, S Deisher, A De Lorenzo, G Dell'Orso, M Deluca, C Demortier, L Deng, J Deninno, M Derwent, PF Di Canto, A di Giovanni, GP Dionisi, C Di Ruzza, B Dittmann, JR D'Onofrio, M Donati, S Dong, P Donini, J Dorigo, T Dube, S Efron, J Elagin, A Erbacher, R Errede, D Errede, S Eusebi, R Fang, HC Farrington, S Fedorko, WT Feild, RG Feindt, M Fernandez, JP Ferrazza, C Field, R Flanagan, G Forrest, R Frank, MJ Franklin, M Freeman, JC Furic, I Gallinaro, M Galyardt, J Garberson, F Garcia, JE Garfinkel, AF Garosi, P Genser, K Gerberich, H Gerdes, D Gessler, A Giagu, S Giakoumopoulou, V Giannetti, P Gibson, K Gimmell, JL Ginsburg, CM Giokaris, N Giordani, M Giromini, P Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Golossanov, A Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Goulianos, K Gresele, A Grinstein, S Grosso-Pilcher, C Group, RC Grundler, U da Costa, JG Gunay-Unalan, Z Haber, C Hahn, K Hahn, SR Halkiadakis, E Han, BY Han, JY Happacher, F Hara, K Hare, D Hare, M Harper, S Harr, RF Harris, RM Hartz, M Hatakeyama, K Hays, C Heck, M Heijboer, A Heinrich, J Henderson, C Herndon, M Heuser, J Hewamanage, S Hidas, D Hill, CS Hirschbuehl, D Hocker, A Hou, S Houlden, M Hsu, SC Huffman, BT Hughes, RE Husemann, U Hussein, M Huston, J Incandela, J Introzzi, G Iori, M Ivanov, A James, E Jang, D Jayatilaka, B Jeon, EJ Jha, MK Jindariani, S Johnson, W Jones, M Joo, KK Jun, SY Jung, JE Junk, TR Kamon, T Kar, D Karchin, PE Kato, Y Kephart, R Ketchum, W Keung, J Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, HW Kim, JE Kim, MJ Kim, SB Kim, SH Kim, YK Kimura, N Kirsch, L Klimenko, S Knuteson, B Ko, BR Kondo, K Kong, DJ Konigsberg, J Korytov, A Kotwal, AV Kreps, M Kroll, J Krop, D Krumnack, N Kruse, M Krutelyov, V Kubo, T Kuhr, T Kulkarni, NP Kurata, M Kwang, S Laasanen, AT Lami, S Lammel, S Lancaster, M Lander, RL Lannon, K Lath, A Latino, G Lazzizzera, I LeCompte, T Lee, E Lee, HS Lee, SW Leone, S Lewis, JD Lin, CS Linacre, J Lindgren, M Lipeles, E Lister, A Litvintsev, DO Liu, C Liu, T Lockyer, NS Loginov, A Loreti, M Lovas, L Lucchesi, D Luci, C Lueck, J Lujan, P Lukens, P Lungu, G Lyons, L Lys, J Lysak, R MacQueen, D Madrak, R Maeshima, K Makhoul, K Maki, T Maksimovic, P Malde, S Malik, S Manca, G Manousakis-Katsikakis, A Margaroli, F Marino, C Marino, CP Martin, A Martin, V Martinez, M Martinez-Ballarin, R Maruyama, T Mastrandrea, P Masubuchi, T Mathis, M Mattson, ME Mazzanti, P McFarland, KS McIntyre, P McNulty, R Mehta, A Mehtala, P Menzione, A Merkel, P Mesropian, C Miao, T Miladinovic, N Miller, R Mills, C Milnik, M Mitra, A Mitselmakher, G Miyake, H Moggi, N Mondragon, MN Moon, CS Moore, R Morello, MJ Morlock, J Fernandez, PM Mulmenstadt, J Mukherjee, A Muller, T Mumford, R Murat, P Mussini, M Nachtman, J Nagai, Y Nagano, A Naganoma, J Nakamura, K Nakano, I Napier, A Necula, V Nett, J Neu, C Neubauer, MS Neubauer, S Nielsen, J Nodulman, L Norman, M Norniella, O Nurse, E Oakes, L Oh, SH Oh, YD Oksuzian, I Okusawa, T Orava, R Osterberg, K Griso, SP Pagliarone, C Palencia, E Papadimitriou, V Papaikonomou, A Paramonov, AA Parks, B Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Peiffer, T Pellett, DE Penzo, A Phillips, TJ Piacentino, G Pianori, E Pinera, L Pitts, K Plager, C Pondrom, L Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Pueschel, E Punzi, G Pursley, J Rademacker, J Rahaman, A Ramakrishnan, V 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Warburton, A. Waters, D. Weinberger, M. Weinelt, J. Wester, W. C., III Whitehouse, B. Whiteson, D. Wicklund, A. B. Wicklund, E. Wilbur, S. Williams, G. Williams, H. H. Wilson, P. Winer, B. L. Wittich, P. Wolbers, S. Wolfe, C. Wright, T. Wu, X. Rthwein, F. Wu Xie, S. Yagil, A. Yamamoto, K. Yamaoka, J. Yang, U. K. Yang, Y. C. Yao, W. M. Yeh, G. P. Yi, K. Yoh, J. Yorita, K. Yoshida, T. Yu, G. B. Yu, I. Yu, S. S. Yun, J. C. Zanello, L. Zanetti, A. Zhang, X. Zheng, Y. Zucchelli, S. CA CDF Collaboration TI Precision Measurement of the X(3872) Mass in J/psi pi(+)pi(-) Decays SO PHYSICAL REVIEW LETTERS LA English DT Article ID DETECTOR AB We present an analysis of the mass of the X(3872) reconstructed via its decay to J/psi pi(+)pi(-) using 2.4 fb(-1) of integrated luminosity from p (p) over bar collisions at root s = 1.96 TeV, collected with the CDF II detector at the Fermilab Tevatron. The possible existence of two nearby mass states is investigated. Within the limits of our experimental resolution the data are consistent with a single state, and having no evidence for two states we set upper limits on the mass difference between two hypothetical states for different assumed ratios of contributions to the observed peak. For equal contributions, the 95% confidence level upper limit on the mass difference is 3.6 MeV/c(2). Under the single-state model the X(3872) mass is measured to be 3871.61 +/- 0.16(stat) +/- 0.19(syst) MeV/c(2), which is the most precise determination to date. C1 [Aaltonen, T.; Maki, T.; Mehtala, P.; Orava, R.; Osterberg, K.; Saarikko, H.; van Remortel, N.] Univ Helsinki, Dept Phys, Div High Energy Phys, FIN-00014 Helsinki, Finland. [Aaltonen, T.; Maki, T.; Mehtala, P.; Orava, R.; Osterberg, K.; Saarikko, H.; van Remortel, N.] Helsinki Inst Phys, FIN-00014 Helsinki, Finland. [Chen, Y. C.; Hou, S.; Mitra, A.; Teng, P. K.; Tsai, S. -Y.; Wang, S. M.] Acad Sinica, Inst Phys, Taipei 11529, Taiwan. [Blair, R. 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[Barbaro-Galtieri, A.; Beringer, J.; Cerri, A.; Deisher, A.; Fang, H. C.; Haber, C.; Hsu, S. -C.; Lin, C. -S.; Lujan, P.; Lys, J.; Mulmenstadt, J.; Nielsen, J.; Volobouev, I.; Yao, W. M.] Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Houlden, M.; Manca, G.; McNulty, R.; Mehta, A.; Shears, T.] Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. [Bartsch, V.; Beecher, D.; Bizjak, I.; Cerrito, L.; Lancaster, M.; Makhoul, K.; Malik, S.; Nurse, E.; Vine, T.; Waters, D.] UCL, London WC1E 6BT, England. [Calancha, C.; Fernandez, J. P.; Gonzalez, O.; Martinez-Ballarin, R.; Redondo, I.; Ttito-Guzman, P.; Vidal, M.] CIEMAT, E-28040 Madrid, Spain. [Bauer, G.; Choudalakis, G.; Gomez-Ceballos, G.; Goncharov, M.; Hahn, K.; Henderson, C.; Knuteson, B.; Paus, C.; Xie, S.] MIT, Cambridge, MA 02139 USA. [Beauchemin, P. -H.; Buzatu, A.; Carron, S.; MacQueen, D.; Pashapour, S.; Roy, P.; Sinervo, P.; Snihur, R.; Spreitzer, T.; Stelzer, B.; Stelzer-Chilton, O.; Warburton, A.; Williams, G.] McGill Univ, Inst Particle Phys, Montreal, PQ H3A 2T8, Canada. [Beauchemin, P. -H.; Buzatu, A.; Carron, S.; MacQueen, D.; Pashapour, S.; Roy, P.; Sinervo, P.; Snihur, R.; Spreitzer, T.; Stelzer, B.; Stelzer-Chilton, O.; Warburton, A.; Williams, G.] Simon Fraser Univ, Burnaby, BC V5A 1S6, Canada. [Beauchemin, P. -H.; Buzatu, A.; Carron, S.; MacQueen, D.; Pashapour, S.; Roy, P.; Sinervo, P.; Snihur, R.; Spreitzer, T.; Stelzer, B.; Stelzer-Chilton, O.; Warburton, A.; Williams, G.] Univ Toronto, Toronto, ON M5S 1A7, Canada. [Beauchemin, P. -H.; Buzatu, A.; Carron, S.; MacQueen, D.; Pashapour, S.; Roy, P.; Sinervo, P.; Snihur, R.; Spreitzer, T.; Stelzer, B.; Stelzer-Chilton, O.; Warburton, A.; Williams, G.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Amidei, D.; Campbell, M.; Cully, J. 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A.; Crescioli, F.; Dell'Orso, M.; Donati, S.; Ferrazza, C.; Garosi, P.; Giannetti, P.; Giunta, M.; Introzzi, G.; Lami, S.; Leone, S.; Menzione, A.; Morello, M. J.; Piacentino, G.; Punzi, G.; Ristori, L.; Sartori, L.; Scribano, A.; Scuri, F.; Sforza, F.; Squillacioti, P.; Trovato, M.; Turini, N.; Vataga, E.; Volpi, G.] Ist Nazl Fis Nucl, I-56127 Pisa, Italy. [Bellettini, G.; Crescioli, F.; Dell'Orso, M.; Di Canto, A.; Donati, S.; Punzi, G.; Sforza, F.; Volpi, G.] Univ Pisa, I-56127 Pisa, Italy. [Barria, P.; Catastini, P.; Cavaliere, V.; Ciocci, M. A.; Garosi, P.; Latino, G.; Scribano, A.; Squillacioti, P.; Turini, N.] Univ Siena, I-56127 Pisa, Italy. [Ferrazza, C.; Trovato, M.; Vataga, E.] Scuola Normale Super Pisa, I-56127 Pisa, Italy. [Boudreau, J.; Gibson, K.; Hartz, M.; Liu, C.; Rahaman, A.; Shepard, P. F.] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Apresyan, A.; Barnes, V. E.; Bolla, G.; Bortoletto, D.; Flanagan, G.; Garfinkel, A. F.; Jones, M.; Laasanen, A. 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[Bellinger, J.; Carlsmith, D.; Chung, W. H.; Herndon, M.; Nett, J.; Pondrom, L.; Pursley, J.; Ramakrishnan, V.; Shon, Y.] Univ Wisconsin, Madison, WI 53706 USA. [Feild, R. G.; Husemann, U.; Loginov, A.; Martin, A.; Schmidt, M. P.; Stanitzki, M.; Tipton, P.] Yale Univ, New Haven, CT 06520 USA. RP Aaltonen, T (reprint author), Univ Helsinki, Dept Phys, Div High Energy Phys, FIN-00014 Helsinki, Finland. RI Introzzi, Gianluca/K-2497-2015; Gorelov, Igor/J-9010-2015; Xie, Si/O-6830-2016; Canelli, Florencia/O-9693-2016; Ruiz, Alberto/E-4473-2011; Robson, Aidan/G-1087-2011; De Cecco, Sandro/B-1016-2012; manca, giulia/I-9264-2012; Amerio, Silvia/J-4605-2012; Punzi, Giovanni/J-4947-2012; Annovi, Alberto/G-6028-2012; Ivanov, Andrew/A-7982-2013; St.Denis, Richard/C-8997-2012; Warburton, Andreas/N-8028-2013; Kim, Soo-Bong/B-7061-2014; Lysak, Roman/H-2995-2014; Moon, Chang-Seong/J-3619-2014; Scodellaro, Luca/K-9091-2014; Grinstein, Sebastian/N-3988-2014; Paulini, Manfred/N-7794-2014; Russ, James/P-3092-2014; unalan, zeynep/C-6660-2015; Lazzizzera, Ignazio/E-9678-2015; Cabrera Urban, Susana/H-1376-2015; Garcia, Jose /H-6339-2015; ciocci, maria agnese /I-2153-2015; Cavalli-Sforza, Matteo/H-7102-2015; Chiarelli, Giorgio/E-8953-2012; Muelmenstaedt, Johannes/K-2432-2015 OI Nielsen, Jason/0000-0002-9175-4419; Jun, Soon Yung/0000-0003-3370-6109; Toback, David/0000-0003-3457-4144; Hays, Chris/0000-0003-2371-9723; Farrington, Sinead/0000-0001-5350-9271; Robson, Aidan/0000-0002-1659-8284; Torre, Stefano/0000-0002-7565-0118; Introzzi, Gianluca/0000-0002-1314-2580; Gorelov, Igor/0000-0001-5570-0133; Xie, Si/0000-0003-2509-5731; Canelli, Florencia/0000-0001-6361-2117; Lami, Stefano/0000-0001-9492-0147; Margaroli, Fabrizio/0000-0002-3869-0153; Group, Robert/0000-0002-4097-5254; Vidal Marono, Miguel/0000-0002-2590-5987; Ruiz, Alberto/0000-0002-3639-0368; Punzi, Giovanni/0000-0002-8346-9052; Annovi, Alberto/0000-0002-4649-4398; Ivanov, Andrew/0000-0002-9270-5643; Warburton, Andreas/0000-0002-2298-7315; Moon, Chang-Seong/0000-0001-8229-7829; Scodellaro, Luca/0000-0002-4974-8330; Grinstein, Sebastian/0000-0002-6460-8694; Paulini, Manfred/0000-0002-6714-5787; Russ, James/0000-0001-9856-9155; unalan, zeynep/0000-0003-2570-7611; Lazzizzera, Ignazio/0000-0001-5092-7531; ciocci, maria agnese /0000-0003-0002-5462; Chiarelli, Giorgio/0000-0001-9851-4816; Muelmenstaedt, Johannes/0000-0003-1105-6678 NR 31 TC 65 Z9 66 U1 1 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 9 PY 2009 VL 103 IS 15 AR 152001 DI 10.1103/PhysRevLett.103.152001 PG 8 WC Physics, Multidisciplinary SC Physics GA 505EK UT WOS:000270672100011 PM 19905622 ER PT J AU Airapetian, A Akopov, N Akopov, Z Aschenauer, EC Augustyniak, W Avetissian, A Avetisyan, E Bacchetta, A Ball, B Bianchi, N Blok, HP Bottcher, H Bonomo, C Borissov, A Bryzgalov, V Burns, J Capiluppi, M Capitani, GP Cisbani, E Ciullo, G Contalbrigo, M Dalpiaz, PF Deconinck, W De Leo, R De Nardo, L De Sanctis, E Diefenthaler, M Di Nezza, P Dreschler, J Duren, M Ehrenfried, M Elbakian, G Ellinghaus, F Elschenbroich, U Fabbri, R Fantoni, A Felawka, L Frullani, S Gabbert, D Gapienko, G Gapienko, V Garibaldi, F Gharibyan, V Giordano, F Gliske, S Hadjidakis, C Hartig, M Hasch, D Hill, G Hillenbrand, A Hoek, M Holler, Y Hristova, I Imazu, Y Ivanilov, A Jackson, HE Jo, HS Joosten, S Kaiser, R Keri, T Kinney, E Kisselev, A Korotkov, V Kozlov, V Kravchenko, P Lagamba, L Lamb, R Lapikas, L Lehmann, I Lenisa, P Linden-Levy, LA Ruiz, AL Lorenzon, W Lu, XG Lu, XR Ma, BQ Mahon, D Makins, NCR Manaenkov, SI Manfre, L Mao, Y Marianski, B de la Ossa, AM Marukyan, H Miller, CA Miyachi, Y Movsisyan, A Murray, M Mussgiller, A Nappi, E Naryshkin, Y Nass, A Negodaev, M Nowak, WD Pappalardo, LL Perez-Benito, R Reimer, PE Reolon, AR Riedl, C Rith, K Rosner, G Rostomyan, A Rubin, J Ryckbosch, D Salomatin, Y Sanftl, F Schafer, A Schnell, G Schuler, KP Seitz, B Shibata, TA Shutov, V Stancari, M Statera, M Steijger, JJM Stenzel, H Stewart, J Stinzing, F Taroian, S Terkulov, A Trzcinski, A Tytgat, M Vandenbroucke, A van der Nat, PB Van Haarlem, Y Van Hulse, C Varanda, M Veretennikov, D Vikhrov, V Vilardi, I Vogel, C Wang, S Yaschenko, S Ye, H Ye, Z Yen, S Yu, W Zeiler, D Zihlmann, B Zupranski, P AF Airapetian, A. Akopov, N. Akopov, Z. Aschenauer, E. C. Augustyniak, W. Avetissian, A. Avetisyan, E. Bacchetta, A. Ball, B. Bianchi, N. Blok, H. P. Boettcher, H. Bonomo, C. Borissov, A. Bryzgalov, V. Burns, J. Capiluppi, M. Capitani, G. P. Cisbani, E. Ciullo, G. Contalbrigo, M. Dalpiaz, P. F. Deconinck, W. De Leo, R. De Nardo, L. De Sanctis, E. Diefenthaler, M. Di Nezza, P. Dreschler, J. Dueren, M. Ehrenfried, M. Elbakian, G. Ellinghaus, F. Elschenbroich, U. Fabbri, R. Fantoni, A. Felawka, L. Frullani, S. Gabbert, D. Gapienko, G. Gapienko, V. Garibaldi, F. Gharibyan, V. Giordano, F. Gliske, S. Hadjidakis, C. Hartig, M. Hasch, D. Hill, G. Hillenbrand, A. Hoek, M. Holler, Y. Hristova, I. Imazu, Y. Ivanilov, A. Jackson, H. E. Jo, H. S. Joosten, S. Kaiser, R. Keri, T. Kinney, E. Kisselev, A. Korotkov, V. Kozlov, V. Kravchenko, P. Lagamba, L. Lamb, R. Lapikas, L. Lehmann, I. Lenisa, P. Linden-Levy, L. A. Ruiz, A. Lopez Lorenzon, W. Lu, X. -G. Lu, X. -R. Ma, B. -Q. Mahon, D. Makins, N. C. R. Manaenkov, S. I. Manfre, L. Mao, Y. Marianski, B. de la Ossa, A. Martinez Marukyan, H. Miller, C. A. Miyachi, Y. Movsisyan, A. Murray, M. Mussgiller, A. Nappi, E. Naryshkin, Y. Nass, A. Negodaev, M. Nowak, W. -D. Pappalardo, L. L. Perez-Benito, R. Reimer, P. E. Reolon, A. R. Riedl, C. Rith, K. Rosner, G. Rostomyan, A. Rubin, J. Ryckbosch, D. Salomatin, Y. Sanftl, F. Schaefer, A. Schnell, G. Schueler, K. P. Seitz, B. Shibata, T. -A. Shutov, V. Stancari, M. Statera, M. Steijger, J. J. M. Stenzel, H. Stewart, J. Stinzing, F. Taroian, S. Terkulov, A. Trzcinski, A. Tytgat, M. Vandenbroucke, A. van der Nat, P. B. Van Haarlem, Y. Van Hulse, C. Varanda, M. Veretennikov, D. Vikhrov, V. Vilardi, I. Vogel, C. Wang, S. Yaschenko, S. Ye, H. Ye, Z. Yen, S. Yu, W. Zeiler, D. Zihlmann, B. Zupranski, P. CA HERMES Collaboration TI Observation of the Naive-T-Odd Sivers Effect in Deep-Inelastic Scattering SO PHYSICAL REVIEW LETTERS LA English DT Article ID FINAL-STATE INTERACTIONS; TRANSVERSE-SPIN ASYMMETRIES; PARTON DISTRIBUTIONS; LEPTOPRODUCTION; GAUGE; COLLISIONS; TARGET; RING AB Azimuthal single-spin asymmetries of leptoproduced pions and charged kaons were measured on a transversely polarized hydrogen target. Evidence for a naive-T-odd, transverse-momentum-dependent parton distribution function is deduced from nonvanishing Sivers effects for pi(+), pi(0), and K(+/-), as well as in the difference of the pi(+) and pi(-) cross sections. C1 [Airapetian, A.; Dueren, M.; Ehrenfried, M.; Keri, T.; Perez-Benito, R.; Stenzel, H.; Yu, W.] Univ Giessen, Inst Phys, D-35392 Giessen, Germany. [Jackson, H. E.; Reimer, P. E.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [De Leo, R.; Lagamba, L.; Nappi, E.; Vilardi, I.] Ist Nazl Fis Nucl, Sez Bari, I-70124 Bari, Italy. [Ma, B. -Q.; Mao, Y.; Wang, S.; Ye, H.] Peking Univ, Sch Phys, Beijing 100871, Peoples R China. [Ellinghaus, F.; Kinney, E.; de la Ossa, A. Martinez] Univ Colorado, Nucl Phys Lab, Boulder, CO 80309 USA. [Avetisyan, E.; Bacchetta, A.; Borissov, A.; Deconinck, W.; De Nardo, L.; Giordano, F.; Hartig, M.; Holler, Y.; Mussgiller, A.; Rostomyan, A.; Schueler, K. P.; Varanda, M.; Ye, Z.; Zihlmann, B.] DESY, D-22603 Hamburg, Germany. [Aschenauer, E. C.; Boettcher, H.; Fabbri, R.; Gabbert, D.; Hillenbrand, A.; Hristova, I.; Lu, X. -G.; Negodaev, M.; Nowak, W. -D.; Riedl, C.; Schnell, G.; Stewart, J.; Yaschenko, S.] DESY, D-15738 Zeuthen, Germany. [Shutov, V.] Joint Inst Nucl Res, Dubna 141980, Russia. [Diefenthaler, M.; Mussgiller, A.; Nass, A.; Rith, K.; Stinzing, F.; Vogel, C.; Yaschenko, S.; Zeiler, D.] Univ Erlangen Nurnberg, Inst Phys, D-91058 Erlangen, Germany. [Bonomo, C.; Capiluppi, M.; Ciullo, G.; Contalbrigo, M.; Dalpiaz, P. F.; Giordano, F.; Lenisa, P.; Pappalardo, L. L.; Stancari, M.; Statera, M.] Univ Ferrara, Ist Nazl Fis Nucl, Sez Ferrara, I-44100 Ferrara, Italy. [Bonomo, C.; Capiluppi, M.; Ciullo, G.; Contalbrigo, M.; Dalpiaz, P. F.; Giordano, F.; Lenisa, P.; Pappalardo, L. L.; Stancari, M.; Statera, M.] Univ Ferrara, Dipartimento Fis, I-44100 Ferrara, Italy. [Bianchi, N.; Capitani, G. P.; De Sanctis, E.; Di Nezza, P.; Fantoni, A.; Hadjidakis, C.; Hasch, D.; Reolon, A. R.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Elschenbroich, U.; Jo, H. S.; Joosten, S.; Ruiz, A. Lopez; Ryckbosch, D.; Schnell, G.; Tytgat, M.; Vandenbroucke, A.; Van Haarlem, Y.; Van Hulse, C.] Univ Ghent, Dept Subat & Radiat Phys, B-9000 Ghent, Belgium. [Burns, J.; Hill, G.; Hoek, M.; Kaiser, R.; Keri, T.; Lehmann, I.; Mahon, D.; Murray, M.; Rosner, G.; Seitz, B.] Univ Glasgow, Dept Phys & Astron, Glasgow G12 8QQ, Lanark, Scotland. [Diefenthaler, M.; Joosten, S.; Lamb, R.; Linden-Levy, L. A.; Makins, N. C. R.; Rubin, J.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Kozlov, V.; Terkulov, A.] PN Lebedev Phys Inst, Moscow 117924, Russia. [Blok, H. P.; Dreschler, J.; Lapikas, L.; Steijger, J. J. M.; van der Nat, P. B.] Natl Inst Subat Phys Nikhef, NL-1009 DB Amsterdam, Netherlands. [Kisselev, A.; Kravchenko, P.; Manaenkov, S. I.; Naryshkin, Y.; Veretennikov, D.; Vikhrov, V.] Petersburg Nucl Phys Inst, Gatchina 188300, Leningrad Reg, Russia. [Bryzgalov, V.; Gapienko, G.; Gapienko, V.; Ivanilov, A.; Korotkov, V.; Salomatin, Y.] Inst High Energy Phys, Protvino 142281, Moscow Region, Russia. [Sanftl, F.; Schaefer, A.] Univ Regensburg, Inst Theoret Phys, D-93040 Regensburg, Germany. [Cisbani, E.; Frullani, S.; Garibaldi, F.; Manfre, L.] Ist Nazl Fis Nucl, Sez Roma 1, Grp Sanita, I-00161 Rome, Italy. [Cisbani, E.; Frullani, S.; Garibaldi, F.; Manfre, L.] Ist Super Sanita, Phys Lab, I-00161 Rome, Italy. [Felawka, L.; Miller, C. A.; Yen, S.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Imazu, Y.; Lu, X. -R.; Miyachi, Y.; Shibata, T. -A.] Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. [Blok, H. P.] Vrije Univ Amsterdam, Dept Phys & Astron, NL-1081 HV Amsterdam, Netherlands. [Augustyniak, W.; Marianski, B.; Trzcinski, A.; Zupranski, P.] Andrzej Soltan Inst Nucl Studies, PL-00689 Warsaw, Poland. [Akopov, N.; Akopov, Z.; Avetissian, A.; Elbakian, G.; Gharibyan, V.; Marukyan, H.; Movsisyan, A.; Taroian, S.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Airapetian, A.; Ball, B.; Deconinck, W.; De Nardo, L.; Gliske, S.; Lorenzon, W.] Univ Michigan, Randall Lab Phys, Ann Arbor, MI 48109 USA. RP Airapetian, A (reprint author), Univ Giessen, Inst Phys, D-35392 Giessen, Germany. RI Cisbani, Evaristo/C-9249-2011; Bacchetta, Alessandro/F-3199-2012; Deconinck, Wouter/F-4054-2012; Reimer, Paul/E-2223-2013; Negodaev, Mikhail/A-7026-2014; Taroian, Sarkis/E-1668-2014; Kozlov, Valentin/M-8000-2015; Terkulov, Adel/M-8581-2015; OI Cisbani, Evaristo/0000-0002-6774-8473; Bacchetta, Alessandro/0000-0002-8824-8355; Deconinck, Wouter/0000-0003-4033-6716; Lagamba, Luigi/0000-0002-0233-9812; Hoek, Matthias/0000-0002-1893-8764 FU EU [RII3-CT-2004-506078] FX We gratefully acknowledge the DESY management for its support, the staff at DESY and the collaborating institutions for their significant effort, and our national funding agencies and the EU RII3-CT-2004-506078 program for financial support. NR 41 TC 175 Z9 175 U1 1 U2 14 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 9 PY 2009 VL 103 IS 15 AR 152002 DI 10.1103/PhysRevLett.103.152002 PG 5 WC Physics, Multidisciplinary SC Physics GA 505EK UT WOS:000270672100012 PM 19905623 ER PT J AU Alwall, J Hiramastsu, K Nojiri, MM Shimizu, Y AF Alwall, Johan Hiramastsu, Kenji Nojiri, Mihoko M. Shimizu, Yasuhiro TI Novel Reconstruction Technique for New Physics Processes with Initial State Radiation SO PHYSICAL REVIEW LETTERS LA English DT Article ID HADRON COLLIDERS; MEASURING MASSES AB The production of heavy particles at hadron colliders is associated with radiation of additional quarks and gluons from incoming partons. They can have significant transverse momenta and the additional initial state radiation (ISR) jets complicate the reconstruction of new particle masses. Taking gluino pair production and decay at the Large Hadron Collider as an example, we develop a novel technique to reduce these effects, allowing for a better reconstruction of masses through the measurement of kinematical end points. C1 [Alwall, Johan] SLAC, Menlo Pk, CA 94025 USA. [Hiramastsu, Kenji; Nojiri, Mihoko M.] KEK, IPNS, Tsukuba, Ibaraki 3050801, Japan. [Hiramastsu, Kenji; Nojiri, Mihoko M.] Grad Univ Adv Studies, SOKENDAI, Tsukuba, Ibaraki 3050801, Japan. [Nojiri, Mihoko M.] IPMU, Kashiwa, Chiba 2778568, Japan. [Shimizu, Yasuhiro] Tohoku Univ, IIAIR, Aoba Ku, Sendai, Miyagi 9808578, Japan. RP Alwall, J (reprint author), SLAC, MS 81,2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. FU MEXT, Japan [16081207, 18340060] FX This work is supported in part by World Premier International Research Center (WPI) Initiative, MEXT, Japan. M. M. N. is supported in part by the Grant-in-Aid for Science Research, MEXT, Japan (No. 16081207 and No. 18340060). NR 19 TC 34 Z9 34 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 9 PY 2009 VL 103 IS 15 AR 151802 DI 10.1103/PhysRevLett.103.151802 PG 4 WC Physics, Multidisciplinary SC Physics GA 505EK UT WOS:000270672100010 PM 19905621 ER PT J AU Beaud, P Johnson, SL Vorobeva, E Staub, U De Souza, RA Milne, CJ Jia, QX Ingold, G AF Beaud, P. Johnson, S. L. Vorobeva, E. Staub, U. De Souza, R. A. Milne, C. J. Jia, Q. X. Ingold, G. TI Ultrafast Structural Phase Transition Driven by Photoinduced Melting of Charge and Orbital Order SO PHYSICAL REVIEW LETTERS LA English DT Article ID PEROVSKITE MANGANITE; METAL TRANSITION; EXCITATION AB We use femtosecond x-ray diffraction to probe directly the structural dynamics of a charge ordered and orbitally ordered thin film of La(0.42)Ca(0.58)MnO(3) initiated by an ultrafast optical pulse. At low excitation fluences we observe the displacive excitation of a coherent optical A(g) phonon. Under high excitation conditions we observe a complete phase transition within 1 ps via the disappearance of a superlattice reflection. The initial step of the phase transition occurs on a time scale significantly faster than the 200 fs time resolution of our experiment. C1 [Beaud, P.; Johnson, S. L.; Vorobeva, E.; Staub, U.; De Souza, R. A.; Ingold, G.] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. [Milne, C. J.] Ecole Polytech Fed Lausanne, Lab Spect Ultrarapide, CH-1015 Lausanne, Switzerland. [Jia, Q. X.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Beaud, P (reprint author), Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. EM paul.beaud@psi.ch RI Milne, Christopher/C-6883-2008; Johnson, Steven/B-3252-2008; Jia, Q. X./C-5194-2008; Beaud, Paul/A-8178-2008; Staub, Urs/C-4914-2015 OI Milne, Christopher/0000-0003-4714-9139; Johnson, Steven/0000-0001-6074-4894; Beaud, Paul/0000-0001-5028-9138; FU U.S. Department of Energy; Center for Integrated Nanotechnologies FX We thank Christof Schneider for helpful discussions, Daniel Grolimund, Camelia Borca, and Alex Oggenfuss for assisting with the experiments. These experiments were performed on the X05LA beam line at the Swiss Light Source, Paul Scherrer Institut, Villigen, Switzerland. The work at Los Alamos was supported by the U.S. Department of Energy through the LANL/LDRD program and the Center for Integrated Nanotechnologies. NR 24 TC 60 Z9 60 U1 2 U2 49 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 9 PY 2009 VL 103 IS 15 AR 155702 DI 10.1103/PhysRevLett.103.155702 PG 4 WC Physics, Multidisciplinary SC Physics GA 505EK UT WOS:000270672100040 PM 19905651 ER PT J AU Benisti, D Strozzi, DJ Gremillet, L Morice, O AF Benisti, Didier Strozzi, David J. Gremillet, Laurent Morice, Olivier TI Nonlinear Landau Damping Rate of a Driven Plasma Wave SO PHYSICAL REVIEW LETTERS LA English DT Article AB In this Letter, we discuss the concept of the nonlinear Landau damping rate, nu, of a driven electron plasma wave, and provide a very simple, practical formula for nu, which agrees very well with results inferred from Vlasov simulations of stimulated Raman scattering. nu actually is more complicated an operator than a plain damping rate, and it may only be seen as such because it assumes almost constant values before abruptly dropping to 0. The decrease of nu to 0 is moreover shown to occur later when the wave amplitude varies in the direction transverse to its propagation. C1 [Benisti, Didier; Gremillet, Laurent; Morice, Olivier] CEA, DAM, DIF, F-91297 Arpajon, France. [Strozzi, David J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Benisti, D (reprint author), CEA, DAM, DIF, F-91297 Arpajon, France. EM didier.benisti@cea.fr OI Strozzi, David/0000-0001-8814-3791 NR 10 TC 26 Z9 26 U1 0 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 9 PY 2009 VL 103 IS 15 AR 155002 DI 10.1103/PhysRevLett.103.155002 PG 4 WC Physics, Multidisciplinary SC Physics GA 505EK UT WOS:000270672100035 PM 19905646 ER PT J AU Cerny, J Moltz, DM Lee, DW Perajarvi, K Barquest, BR Grossman, LE Jeong, W Jewett, CC AF Cerny, J. Moltz, D. M. Lee, D. W. Perajarvi, K. Barquest, B. R. Grossman, L. E. Jeong, W. Jewett, C. C. TI Reinvestigation of the Direct Two-Proton Decay of the Long-Lived Isomer Ag-94(m) [0.4 s, 6.7 MeV, (21+)] SO PHYSICAL REVIEW LETTERS LA English DT Article ID PROTON; RADIOACTIVITY AB An attempt to confirm the reported direct one-proton and two-proton decays of the (21+) isomer at 6.7(5) MeV in Ag-94 has been made. The 0.39(4) s half-life of the isomer permitted use of a helium-jet system to transport reaction products from the Ca-40 + Ni-nat reaction at 197 MeV to a low-background area; 24 gas Delta E-(Si)E detector telescopes were used to identify emitted protons down to 0.4 MeV. No evidence was obtained for two-proton radioactivity with a summed energy of 1.9(1) MeV and a branching ratio of 0.5(3)%. Two groups of one-proton radioactivity from this isomer had also been reported; our data confirm the lower energy group at 0.79(3) MeV with its branching ratio of 1.9(5)%. C1 [Cerny, J.; Moltz, D. M.; Barquest, B. R.; Grossman, L. E.; Jeong, W.; Jewett, C. C.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Cerny, J.; Lee, D. W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Perajarvi, K.] STUK Radiat & Nucl Safety Author, FIN-00881 Helsinki, Finland. RP Cerny, J (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RI Lee, Dongwon/F-8675-2012 OI Lee, Dongwon/0000-0003-3133-5199 FU U.S. Department of Energy, Office of Nuclear Physics [DE-AC02-05CH11231] FX This work was supported by the U. S. Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC02-05CH11231 (LBNL). NR 19 TC 14 Z9 14 U1 3 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 9 PY 2009 VL 103 IS 15 AR 152502 DI 10.1103/PhysRevLett.103.152502 PG 4 WC Physics, Multidisciplinary SC Physics GA 505EK UT WOS:000270672100018 PM 19905629 ER PT J AU Giovannetti, G Kumar, S Khomskii, D Picozzi, S van den Brink, J AF Giovannetti, Gianluca Kumar, Sanjeev Khomskii, Daniel Picozzi, Silvia van den Brink, Jeroen TI Multiferroicity in Rare-Earth Nickelates RNiO3 SO PHYSICAL REVIEW LETTERS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; NEUTRON-DIFFRACTION; CHARGE DISPROPORTIONATION; ELECTRIC POLARIZATION; METAL-INSULATOR; PEROVSKITES; FERROELECTRICITY; TRANSITION; SOLIDS AB We show that charge ordered rare-earth nickelates of the type RNiO3 (R Ho, Lu, Pr and Nd) are multiferroic with very large magnetically-induced ferroelectric (FE) polarizations. This we determine from first principles electronic structure calculations. The emerging FE polarization is directly tied to the long-standing puzzle of which kind of magnetic ordering is present in this class of materials: its direction and size indicate the type of ground-state spin configuration that is realized. Vice versa, the small energy differences between the different magnetic orderings suggest that a chosen magnetic ordering can be stabilized by cooling the system in the presence of an electric field. C1 [Giovannetti, Gianluca; Kumar, Sanjeev; van den Brink, Jeroen] Leiden Univ, Inst Lorentz Theoret Phys, NL-2300 RA Leiden, Netherlands. [Giovannetti, Gianluca; Kumar, Sanjeev] Univ Twente, Fac Sci & Technol, NL-7500 AE Enschede, Netherlands. [Giovannetti, Gianluca; Kumar, Sanjeev] Univ Twente, MESA Res Inst, NL-7500 AE Enschede, Netherlands. [Giovannetti, Gianluca] INFM, CNR, CASTI Reg Lab, I-67100 Laquila, Italy. [Khomskii, Daniel] Univ Cologne, Inst Phys, D-50937 Cologne, Germany. [van den Brink, Jeroen] Radboud Univ Nijmegen, Inst Mol & Mat, NL-6500 GL Nijmegen, Netherlands. [van den Brink, Jeroen] Stanford Univ, Stanford Inst Mat & Energy Sci, Menlo Pk, CA USA. [van den Brink, Jeroen] Leibniz Inst Solid State & Mat Res Dresden, D-01171 Dresden, Germany. [van den Brink, Jeroen] SLAC, Menlo Pk, CA USA. RP Giovannetti, G (reprint author), Leiden Univ, Inst Lorentz Theoret Phys, NL-2300 RA Leiden, Netherlands. RI van den Brink, Jeroen/E-5670-2011; Picozzi, Silvia/E-2374-2011; Giovannetti, Gianluca/L-4339-2013 OI van den Brink, Jeroen/0000-0001-6594-9610; Picozzi, Silvia/0000-0002-3232-788X; FU Stichting FOM; NCF and NanoNed; Netherlands; SFB 608, Germany; European Research Council [203523BISMUTH] FX We thank Maxim Mostovoy for stimulating discussions. This work is supported by Stichting FOM, NCF and NanoNed, The Netherlands and by SFB 608, Germany. The research leading to part of these results has received funding from the European Research Council under the European Community Seventh Framework Program (FP7/2007-2013)/ERC Grant Agreement No. 203523BISMUTH. NR 29 TC 51 Z9 51 U1 5 U2 44 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 9 PY 2009 VL 103 IS 15 AR 156401 DI 10.1103/PhysRevLett.103.156401 PG 4 WC Physics, Multidisciplinary SC Physics GA 505EK UT WOS:000270672100043 ER PT J AU Musfeldt, JL Vergara, LI Brinzari, TV Lee, C Tung, LC Kang, J Wang, YJ Schlueter, JA Manson, JL Whangbo, MH AF Musfeldt, J. L. Vergara, L. I. Brinzari, T. V. Lee, C. Tung, L. C. Kang, J. Wang, Y. J. Schlueter, J. A. Manson, J. L. Whangbo, M. -H. TI Magnetoelastic Coupling through the Antiferromagnet-to-Ferromagnet Transition of Quasi-Two-Dimensional [Cu(HF2)(pyz)(2)]BF4 Using Infrared Spectroscopy SO PHYSICAL REVIEW LETTERS LA English DT Article ID MAGNETIC MODEL SYSTEMS; VIBRATIONAL PROPERTIES; COORDINATION POLYMERS; CRYSTAL; SPECTRA; LIGANDS; PHYSICS; CHAINS; S=1/2 AB We investigated magnetoelastic coupling through the field-driven transition to the fully polarized magnetic state in quasi-two-dimensional [Cu(HF2)(pyz)(2)]BF4 by magnetoinfrared spectroscopy. This transition modifies out-of-plane ring distortion and bending vibrational modes of the pyrazine ligand. The extent of these distortions increases with the field, systematically tracking the low-temperature magnetization. These distortions weaken the antiferromagnetic spin exchange, a finding that provides important insight into magnetic transitions in other copper halides. C1 [Musfeldt, J. L.; Vergara, L. I.; Brinzari, T. V.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Lee, C.; Kang, J.; Whangbo, M. -H.] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. [Tung, L. C.; Wang, Y. J.] Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Schlueter, J. A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Manson, J. L.] Eastern Washington Univ, Dept Chem & Biochem, Cheney, WA 99004 USA. RP Musfeldt, JL (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. FU NSF (UT, NHMFL); DoE (NHMFL, Argonne, NCSU); Research Corporation (EWU); State of Florida (NHMFL) FX This research was supported by the NSF (UT, NHMFL), the DoE (NHMFL, Argonne, NCSU), the Research Corporation (EWU), and the State of Florida (NHMFL). We thank P. A. Goddard for useful conversations and access to magnetization data. We thank J. S. Brooks and C. P. Landee for useful discussions. NR 37 TC 20 Z9 20 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 9 PY 2009 VL 103 IS 15 AR 157401 DI 10.1103/PhysRevLett.103.157401 PG 4 WC Physics, Multidisciplinary SC Physics GA 505EK UT WOS:000270672100054 PM 19905665 ER PT J AU Noronha, J Dumitru, A AF Noronha, Jorge Dumitru, Adrian TI Thermal Width of the Y at Large 't Hooft Coupling SO PHYSICAL REVIEW LETTERS LA English DT Article ID DE-SITTER SUPERGRAVITY; N GAUGE-THEORY; FINITE-TEMPERATURE; WILSON LOOPS; QUARKONIUM DISSOCIATION; FIELD-THEORIES; MATTER; LIMIT AB We use the anti-de Sitter/conformal field theory correspondence to show that the heavy quark (static) potential in a strongly coupled plasma develops an imaginary part at finite temperature. Thus, deeply bound heavy quarkonia states acquire a small nonzero thermal width when the 't Hooft coupling lambda = g(2)N(c) >> 1 and the number of colors N(c) -> infinity. In the dual gravity description, this imaginary contribution comes from thermal fluctuations around the bottom of the classical sagging string in the bulk that connects the heavy quarks located at the boundary. We predict a strong suppression of Y's in heavy-ion collisions and discuss how this may be used to estimate the initial temperature. C1 [Noronha, Jorge] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Dumitru, Adrian] CUNY Bernard M Baruch Coll, Dept Nat Sci, New York, NY 10010 USA. [Dumitru, Adrian] CUNY, Grad Sch, New York, NY 10016 USA. [Dumitru, Adrian] CUNY, Univ Ctr, New York, NY 10016 USA. [Dumitru, Adrian] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. RP Noronha, J (reprint author), Columbia Univ, Dept Phys, 538 W 120th St, New York, NY 10027 USA. RI Noronha, Jorge/M-8800-2014; Noronha, Jorge/E-5783-2013 FU U. S.-DOE Nuclear Science [DE-FG02-93ER40764]; City University of New York; U. S.-DOE [DE-FG02-09ER41620] FX We thank W. Zajc for useful comments on the preprint of this manuscript. J. N. acknowledges support from U. S.-DOE Nuclear Science Grant No. DE-FG02-93ER40764. A. D. gratefully acknowledges support from The City University of New York through a PSC-CUNY grant and by the Office of Nuclear Physics, U. S.-DOE Grant No. DE-FG02-09ER41620. J. N. and A. D. also thank Goethe University for their hospitality and the Helmholtz International Center for FAIR for support within the LOEWE program. NR 27 TC 26 Z9 26 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 9 PY 2009 VL 103 IS 15 AR 152304 DI 10.1103/PhysRevLett.103.152304 PG 4 WC Physics, Multidisciplinary SC Physics GA 505EK UT WOS:000270672100016 PM 19905627 ER PT J AU Ovchinnikov, OS Jesse, S Bintacchit, P Trolier-McKinstry, S Kalinin, SV AF Ovchinnikov, O. S. Jesse, S. Bintacchit, P. Trolier-McKinstry, S. Kalinin, S. V. TI Disorder Identification in Hysteresis Data: Recognition Analysis of the Random-Bond-Random-Field Ising Model SO PHYSICAL REVIEW LETTERS LA English DT Article AB An approach for the direct identification of disorder type and strength in physical systems based on recognition analysis of hysteresis loop shape is developed. A large number of theoretical examples uniformly distributed in the parameter space of the system is generated and is decorrelated using principal component analysis (PCA). The PCA components are used to train a feed-forward neural network using the model parameters as targets. The trained network is used to analyze hysteresis loops for the investigated system. The approach is demonstrated using a 2D random-bond-random-field Ising model, and polarization switching in polycrystalline ferroelectric capacitors. C1 [Jesse, S.; Kalinin, S. V.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Ovchinnikov, O. S.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Bintacchit, P.; Trolier-McKinstry, S.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Bintacchit, P.; Trolier-McKinstry, S.] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012; Jesse, Stephen/D-3975-2016; OI Kalinin, Sergei/0000-0001-5354-6152; Jesse, Stephen/0000-0002-1168-8483; Trolier-McKinstry, Susan/0000-0002-7267-9281 FU ORNL LDRD; ORNL HERE; Center for Dielectric Studies; National Security Science and Engineering Faculty program; Royal Thai Government FX The work was supported by the ORNL LDRD program (S. V. K, S. J.) and the ORNL HERE program (O. O). Funding for work at Penn State was supplied by the Center for Dielectric Studies, the National Security Science and Engineering Faculty program, and a Royal Thai Government grant (P. B). NR 18 TC 9 Z9 9 U1 2 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 9 PY 2009 VL 103 IS 15 AR 157203 DI 10.1103/PhysRevLett.103.157203 PG 4 WC Physics, Multidisciplinary SC Physics GA 505EK UT WOS:000270672100053 PM 19905664 ER PT J AU Wang, XJ Freund, HP Harder, D Miner, WH Murphy, JB Qian, H Shen, Y Yang, X AF Wang, X. J. Freund, H. P. Harder, D. Miner, W. H., Jr. Murphy, J. B. Qian, H. Shen, Y. Yang, X. TI Efficiency and Spectrum Enhancement in a Tapered Free-Electron Laser Amplifier SO PHYSICAL REVIEW LETTERS LA English DT Article ID EXTREME-ULTRAVIOLET; EXTRACTION AB We report the first experimental characterization of efficiency and spectrum enhancement in a laser-seeded free-electron laser using a tapered undulator. Output and spectra in the fundamental and third harmonic were measured versus distance for uniform and tapered undulators. With a 4% field taper over 3 m, a 300% (50%) increase in the fundamental (third harmonic) output was observed. A significant improvement in the spectra with the elimination of sidebands was observed using a tapered undulator. The experiment is in good agreement with predictions using the MEDUSA simulation code. C1 [Wang, X. J.; Harder, D.; Murphy, J. B.; Qian, H.; Shen, Y.; Yang, X.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Freund, H. P.; Miner, W. H., Jr.] Sci Applicat Int Corp, Mclean, VA 22102 USA. RP Wang, XJ (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. FU NSLS; Office of Naval Research (ONR); Joint Technology Office; U.S. Department of Energy (DOE) [DE-AC02-98CH1-886] FX We would like to acknowledge technical support from R. K. Li, P. Singh, and T. Watanabe. We are grateful for support from the NSLS. This work is supported in part by the Office of Naval Research (ONR), the Joint Technology Office, and U.S. Department of Energy (DOE) under Contract No. DE-AC02-98CH1-886. NR 16 TC 28 Z9 30 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 9 PY 2009 VL 103 IS 15 AR 154801 DI 10.1103/PhysRevLett.103.154801 PG 4 WC Physics, Multidisciplinary SC Physics GA 505EK UT WOS:000270672100033 PM 19905644 ER PT J AU Chain, PSG Grafham, DV Fulton, RS FitzGerald, MG Hostetler, J Muzny, D Ali, J Birren, B Bruce, DC Buhay, C Cole, JR Ding, Y Dugan, S Field, D Garrity, GM Gibbs, R Graves, T Han, CS Harrison, SH Highlander, S Hugenholtz, P Khouri, HM Kodira, CD Kolker, E Kyrpides, NC Lang, D Lapidus, A Malfatti, SA Markowitz, V Metha, T Nelson, KE Parkhill, J Pitluck, S Qin, X Read, TD Schmutz, J Sozhamannan, S Sterk, P Strausberg, RL Sutton, G Thomson, NR Tiedje, JM Weinstock, G Wollam, A Detter, JC AF Chain, P. S. G. Grafham, D. V. Fulton, R. S. FitzGerald, M. G. Hostetler, J. Muzny, D. Ali, J. Birren, B. Bruce, D. C. Buhay, C. Cole, J. R. Ding, Y. Dugan, S. Field, D. Garrity, G. M. Gibbs, R. Graves, T. Han, C. S. Harrison, S. H. Highlander, S. Hugenholtz, P. Khouri, H. M. Kodira, C. D. Kolker, E. Kyrpides, N. C. Lang, D. Lapidus, A. Malfatti, S. A. Markowitz, V. Metha, T. Nelson, K. E. Parkhill, J. Pitluck, S. Qin, X. Read, T. D. Schmutz, J. Sozhamannan, S. Sterk, P. Strausberg, R. L. Sutton, G. Thomson, N. R. Tiedje, J. M. Weinstock, G. Wollam, A. Detter, J. C. CA Genomic Stand Consortium Human Microbiome Project Jumpstart TI Genome Project Standards in a New Era of Sequencing SO SCIENCE LA English DT Editorial Material C1 [Chain, P. S. G.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Chain, P. S. G.; Cole, J. R.; Garrity, G. M.; Harrison, S. H.; Tiedje, J. M.] Michigan State Univ, E Lansing, MI 48824 USA. [Fulton, R. S.; Graves, T.; Weinstock, G.; Wollam, A.] Washington Univ, Sch Med, St Louis, MO 63130 USA. [Muzny, D.; Buhay, C.; Ding, Y.; Dugan, S.; Gibbs, R.; Highlander, S.; Qin, X.] Baylor Coll Med, Houston, TX 77030 USA. [Bruce, D. C.; Detter, J. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Kolker, E.] Seattle Childrens Hosp & Res Inst, Seattle, WA USA. [Kolker, E.] Univ Washington, Sch Med, Seattle, WA 98195 USA. [Markowitz, V.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. EM pchain@lanl.gov; dg1@sanger.ac.uk RI Field, Dawn/C-1653-2010; Parkhill, Julian/G-4703-2011; Hugenholtz, Philip/G-9608-2011; Lapidus, Alla/I-4348-2013; Read, Timothy/E-6240-2011; Kolker, Eugene/C-6711-2008; chain, patrick/B-9777-2013; Garrity, George/F-7551-2013; Schmutz, Jeremy/N-3173-2013; Kyrpides, Nikos/A-6305-2014 OI Parkhill, Julian/0000-0002-7069-5958; Lapidus, Alla/0000-0003-0427-8731; Sterk, Peter/0000-0003-1668-7778; Garrity, George/0000-0002-4465-7034; Schmutz, Jeremy/0000-0001-8062-9172; Kyrpides, Nikos/0000-0002-6131-0462 FU NHGRI NIH HHS [U54 HG004968, U54 HG004973] NR 5 TC 192 Z9 193 U1 3 U2 38 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD OCT 9 PY 2009 VL 326 IS 5950 BP 236 EP 237 DI 10.1126/science.1180614 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 504EX UT WOS:000270599500024 PM 19815760 ER PT J AU Zhang, LZ Zybin, SV van Duin, ACT Dasgupta, S Goddard, WA Kober, EM AF Zhang, Luzheng Zybin, Sergey V. van Duin, Adri C. T. Dasgupta, Siddharth Goddard, William A., III Kober, Edward M. TI Carbon Cluster Formation during Thermal Decomposition of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-Triamino-2,4,6-trinitrobenzene High Explosives from ReaxFF Reactive Molecular Dynamics Simulations SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID ELECTRONEGATIVITY EQUALIZATION METHOD; FORCE-FIELD; ULTRADISPERSED DIAMONDS; DETONATION PRODUCTS; ULTRAFINE DIAMOND; SOLID EXPLOSIVES; PHASE-DIAGRAM; AB-INITIO; HMX; TRANSITION AB We report molecular dynamics (MD) simulations using the first-principles-based ReaxFF reactive force field to study the thermal decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) at various densities and temperatures. TATB is known to produce a large amount (15-30%) of high-molecular-weight carbon clusters, whereas detonation of nitramines such as HMX and RDX (1,3,5-trinitroperhydro-1,3,5-triazine) generate predominantly low-molecular-weight products. In agreement with experimental observation, these simulations predict that TATB decomposition quickly (by 30 ps) initiates the formation of large carbonaceous clusters (more than 4000 amu, or similar to 15-30% of the total system mass.), and HMX decomposition leads almost exclusively to small-molecule products. We find that HMX decomposes readily on this time scale at lower temperatures, for which the decomposition rate of TATB is about an order of magnitude slower. Analyzing the ReaxFF MD results leads to the detailed atomistic structure of this carbon-rich phase of TATB and allows characterization of the kinetics and chemistry related to this phase and their dependence on system density and temperature. The carbon-rich phase formed from TATB contains mainly polyaromatic rings with large oxygen content, leading to graphitic regions. We use these results to describe the initial reaction steps of thermal decomposition of HMX and TATB in terms of the rates for forming primary and secondary products, allowing comparison to experimentally derived models. These studies show that MD using the ReaxFF reactive force field provides detailed atomistic information that explains such macroscopic observations as the dramatic difference in carbon cluster formation between TATB and HMX. This shows that ReaxFF MD captures the fundamental differences in the mechanisms of such systems and illustrates how the ReaxFF may be applied to model complex chemical phenomena in energetic materials. The studies here illustrate this for modestly sized systems and modest periods; however, ReaxFF calculations of reactive processes have already been reported on systems with similar to 10(6) atoms. Thus, with suitable computational facilities, one can study the atomistic level chemical processes in complex systems under extreme conditions. C1 [Zhang, Luzheng; Zybin, Sergey V.; van Duin, Adri C. T.; Dasgupta, Siddharth; Goddard, William A., III] CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA. [Kober, Edward M.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Goddard, WA (reprint author), CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA. EM wag@wag.caltech.edu FU Office of Naval Research [N00014-05-1-0778, N00014-09-1-0634]; Army Research Office [W911NF-05-1-0345]; U.S. Department of Energy [65287-00108] FX This research was supported by the Office of Naval Research (Grant no. N00014-05-1-0778 and N00014-09-1-0634, program managers Dr. Judah Goldwasser and Cliff Bedford), the Army Research Office (MURI Grant no. W911NF-05-1-0345, program managers Dr. David Matin and Dr. Ralph Anthenien), and the U.S. Department of Energy (65287-00108 through Los Alamos National Laboratory). The computer facilifics were provided by ONR-DURIP and ARO-DURIP. NR 60 TC 95 Z9 108 U1 16 U2 95 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD OCT 8 PY 2009 VL 113 IS 40 BP 10619 EP 10640 DI 10.1021/jp901353a PG 22 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 501ER UT WOS:000270362900005 PM 19791809 ER PT J AU Budzien, J Thompson, AP Zybin, SV AF Budzien, Joanne Thompson, Aidan P. Zybin, Sergey V. TI Reactive Molecular Dynamics Simulations of Shock Through a Single Crystal of Pentaerythritol Tetranitrate SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ELECTRONEGATIVITY EQUALIZATION METHOD; ENERGETIC MATERIALS; FORCE-FIELD; PETN; DECOMPOSITION; SENSITIVITY; ORIENTATION; INITIATION; MECHANICS AB Large-scale molecular dynamics simulations and the reactive force field ReaxFF were used to study shock-induced initiation in crystalline pentaerythritol tetranitrate (PETN). In the calculations, a PETN single crystal was impacted against a wall, driving a shockwave back through the crystal in the [100] direction. Two impact speeds (4 and 3 km/s) were used to compare strong and moderate shock behavior. The primary difference between the two shock strengths is the time required to exhibit the same qualitative behaviors with the lower impact speed lagging behind the faster impact speed. For both systems, the shock velocity exhibits an initial deceleration due to onset. of endothermic reactions followed by acceleration due to the onset of exothermic reactions. At long times, the shock velocity reaches a steady value. After the initial deceleration period, peaks are observed in the profiles of the density and axial stress with the strongly shocked system having sharp peaks while the weakly shocked system developed broad peaks due to the slower shock velocity acceleration. The dominant initiation reactions in both systems lead to the formation of NO2 with lesser quantities of NO3 and formaldehyde also produced.0 C1 [Budzien, Joanne; Thompson, Aidan P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Zybin, Sergey V.] CALTECH, Pasadena, CA 91125 USA. RP Budzien, J (reprint author), Frostburg State Univ, Frostburg, MD 21532 USA. EM jbudzien@frostburg.edu RI Budzien, Joanne/E-8315-2011 FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Army Research Office [W911NF-05-1-0345]; Office of Naval Research [N00014-05-10778] FX Sandia is it multiprogram laboratory operated by Sandia Corporation, it Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. S,V.Z. was supported by the Army Research Office (W911NF-05-1-0345) and the Office of Naval Research (N00014-05-10778). NR 25 TC 50 Z9 57 U1 2 U2 34 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD OCT 8 PY 2009 VL 113 IS 40 BP 13142 EP 13151 DI 10.1021/jp9016695 PG 10 WC Chemistry, Physical SC Chemistry GA 501EX UT WOS:000270363500004 PM 19791817 ER PT J AU Annunziata, O Vergara, A Paduano, L Sartorio, R Miller, DG Albright, JG AF Annunziata, Onofrio Vergara, Alessandro Paduano, Luigi Sartorio, Roberto Miller, Donald G. Albright, John G. TI Quaternary Diffusion Coefficients in a Protein-Polymer-Salt-Water System Determined by Rayleigh Interferometry SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID DYNAMIC LIGHT-SCATTERING; MULTICOMPONENT DIFFUSION; MUTUAL DIFFUSION; CRYSTAL-GROWTH; PREFERENTIAL INTERACTIONS; POLY(ETHYLENE GLYCOL); ISOTHERMAL DIFFUSION; TERNARY DIFFUSION; LYSOZYME CHLORIDE; CROWDED SOLUTIONS AB We have experimentally investigated multicomponent diffusion in a protein-polymer-salt-water quaternary system. Specifically, we have measured the nine multicomponent diffusion coefficients, D(ij), for the lysozyme-poly(ethylene glycol)-NaCl-water system at pH 4.5 and 25 degrees C using precision Rayleigh interferometry. Lysozyme is a model protein for protein-crystallization and enzymology studies. We find that the protein diffusion coefficient, D, 1, decreases as polymer concentration increases at a given salt concentration. This behavior can be quantitatively related to the corresponding increase in fluid viscosity only at low polymer concentration. However, at high polymer concentration (250 g/L), protein diffusion is enhanced compared to the corresponding viscosity prediction. We also find that a protein concentration gradient induces salt diffusion from high to low protein concentration. This effect increases in the presence of poly(ethylene glycol). Finally, we have evaluated systematic errors associated with measurements of protein diffusion coefficients by dynamic light scattering. This work overall helps characterize protein diffusion in crowded environments and may provide guidance for further theoretical developments in the field of protein crystallization and protein diffusion in such crowded systems, Such as the cytoplasm of living cells. C1 [Annunziata, Onofrio; Albright, John G.] Texas Christian Univ, Dept Chem, Ft Worth, TX 76129 USA. [Vergara, Alessandro; Paduano, Luigi; Sartorio, Roberto] Univ Naples Federico 2, Dept Chem, I-80126 Naples, Italy. [Miller, Donald G.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Annunziata, O (reprint author), Texas Christian Univ, Dept Chem, Ft Worth, TX 76129 USA. EM o.annunziata@tcu.edu OI PADUANO, Luigi/0000-0002-1105-4237; Vergara, Alessandro/0000-0003-4135-0245 FU Italian Space Agency [ARS-99-15]; NASA BioTechnology Program [NAG8-1356]; ACS Petroleum Research Fund [47244-G4] FX This research was supported by the Italian Space Agency (ARS-99-15), the NASA BioTechnology Program (NAG8-1356), and the ACS Petroleum Research Fund (47244-G4). NR 56 TC 12 Z9 12 U1 0 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD OCT 8 PY 2009 VL 113 IS 40 BP 13446 EP 13453 DI 10.1021/jp906977m PG 8 WC Chemistry, Physical SC Chemistry GA 501EX UT WOS:000270363500042 PM 19746957 ER PT J AU Jiang, DE Whetten, RL Luo, WD Dai, S AF Jiang, De-en Whetten, Robert L. Luo, Weidong Dai, Sheng TI The Smallest Thiolated Gold Superatom Complexes SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID THEORETICAL CHEMISTRY; CRYSTAL-STRUCTURE; PROTECTED AU-25; CLUSTER COMPOUNDS; KDA GOLD; NANOCLUSTERS; MOLECULES; AU-38; AUROPHILICITY; NANOPARTICLES AB The superatom concept of metallic cluster valence is based oil the electron-shell model as first proposed to explain the special stability of certain metal-atom clusters generated in the gas phase. It accounts for the magic-number series 2, 8, 18, 34, 58, ... by shell-closing of the superatom orbitals 1S, 1P, 1D .... Recently, the superatom-complex concept has been introduced to explain the compositions of high-yield gold-cluster compounds, especially Au(25)(SR)(18)(-) and Au(102)(SR)(44) (with -SR being it thiolate group), corresponding to the magic numbers of 8 and 58, respectively. Surprisingly, no thiolated gold cluster accounting for the first closing (electron count 2) has yet been determined, structure-bonding considerations lead us to propose Au(12)(SR)(9)(+) as the Superior candidate for the Smallest thiolated gold superatom. This cluster features all octahedron core covered by three RS(AuSR)(2) motifs. It has a unique C(3) axis, is chiral, and possesses ideal aurophilic interactions and, therefore, should exist in nature. The folding of thiol-rich biomolecules may help us to realize this complex, which may also be prepared from available phosphine-ligated gold clusters. C1 [Jiang, De-en; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Whetten, Robert L.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Luo, Weidong] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Luo, Weidong] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Jiang, DE (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM jiangd@ornl.gov RI Jiang, De-en/D-9529-2011; Dai, Sheng/K-8411-2015; Luo, Weidong/A-8418-2009 OI Jiang, De-en/0000-0001-5167-0731; Dai, Sheng/0000-0002-8046-3931; Luo, Weidong/0000-0003-3829-1547 FU U.S. Department of Energy [DE-AC05-00OR22725] FX This work was supported by the Office of Basic Energy Sciences. U.S. Department of Energy, under Contract No. DE-AC05-00OR22725 with UT-Battelle. LLC. NR 50 TC 62 Z9 62 U1 3 U2 42 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 8 PY 2009 VL 113 IS 40 BP 17291 EP 17295 DI 10.1021/jp9035937 PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 501EK UT WOS:000270362100003 ER PT J AU Krems, M Zwolak, M Pershin, YV Di Ventra, M AF Krems, Matt Zwolak, Michael Pershin, Yuriy V. Di Ventra, Massimiliano TI Effect of Noise on DNA Sequencing via Transverse Electronic Transport SO BIOPHYSICAL JOURNAL LA English DT Article ID SOLID-STATE NANOPORE; SINGLE-STRANDED-DNA; POLYNUCLEOTIDE MOLECULES; MEMBRANE CHANNEL; FORCE-FIELD; DISCRIMINATION; TRANSLOCATION; CONDUCTANCE; ORIENTATION; MICROSCOPE AB Previous theoretical studies have shown that measuring the transverse current across DNA strands while they translocate through a nanopore or channel may provide a statistically distinguishable signature of the DNA bases, and may thus allow for rapid DNA sequencing. However, fluctuations of the environment, such as ionic and DNA motion, introduce important scattering processes that may affect the viability of this approach to sequencing. To understand this issue, we have analyzed a simple model that captures the role of this complex environment in electronic dephasing and its ability to remove charge carriers from current-carrying states. We find that these effects do not strongly influence the current distributions due to the off-resonant nature of tunneling through the nucleotides-a result we expect to be a common feature of transport in molecular junctions. In particular, only large scattering strengths, as compared to the energetic gap between the molecular states and the Fermi level, significantly alter the form of the current distributions. Since this gap itself is quite large, the current distributions remain protected from this type of noise, further supporting the possibility of using transverse electronic transport measurements for DNA sequencing. C1 [Zwolak, Michael] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Krems, Matt; Di Ventra, Massimiliano] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Pershin, Yuriy V.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Pershin, Yuriy V.] Univ S Carolina, USC Nanoctr, Columbia, SC 29208 USA. RP Zwolak, M (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM mpzwolak@gmail.com RI Di Ventra, Massimiliano/E-1667-2011; Pershin, Yuriy/F-4453-2012; Zwolak, Michael/G-2932-2013 OI Di Ventra, Massimiliano/0000-0001-9416-189X; Zwolak, Michael/0000-0001-6443-7816 FU National Institutes of Health-National Human Genome Research Institute; U.S. Department of Energy through the LANL/LDRD Program FX This research is supported by the National Institutes of Health-National Human Genome Research Institute and by the U.S. Department of Energy through the LANL/LDRD Program. NR 43 TC 41 Z9 41 U1 1 U2 16 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD OCT 7 PY 2009 VL 97 IS 7 BP 1990 EP 1996 DI 10.1016/j.bpj.2009.06.055 PG 7 WC Biophysics SC Biophysics GA 504AV UT WOS:000270586000021 PM 19804730 ER PT J AU Ho, PJ Starodub, D Saldin, DK Shneerson, VL Ourmazd, A Santra, R AF Ho, P. J. Starodub, D. Saldin, D. K. Shneerson, V. L. Ourmazd, A. Santra, R. TI Molecular structure determination from x-ray scattering patterns of laser-aligned symmetric-top molecules SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID FIELDS; ALIGNMENT; DEFORMATION; DIFFRACTION; ORIENTATION; IONIZATION; DYNAMICS; PHASE; IONS AB We investigate the molecular structure information contained in the x-ray diffraction patterns of an ensemble of rigid CF(3)Br molecules aligned by an intense laser pulse at finite rotational temperature. The diffraction patterns are calculated at an x-ray photon energy of 20 keV to probe molecular structure at angstrom-scale resolution. We find that a structural reconstruction algorithm based on iterative phase retrieval fails to extract a reliable structure. However, the high atomic number of Br compared with C or F allows each diffraction pattern to be treated as a hologram. Using this approach, the azimuthal projection of the molecular electron density about the alignment axis may be retrieved. (C) 2009 American Institute of Physics. [doi:10.1063/1.3245404] C1 [Ho, P. J.; Santra, R.] Argonne Natl Lab, Argonne, IL 60439 USA. [Starodub, D.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Saldin, D. K.; Shneerson, V. L.; Ourmazd, A.] Univ Wisconsin, Dept Phys, Milwaukee, WI 53201 USA. [Santra, R.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. RP Ho, PJ (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rsantra@anl.gov RI Santra, Robin/E-8332-2014 OI Santra, Robin/0000-0002-1442-9815 FU Office of Basic Energy Sciences; Office of Science, U. S. Department of Energy [DE-AC02-06CH11357, DE-FG02-84ER45076, DE-FG02-06ER46277, DE-FG03-02ER45996] FX We thank Henry Chapman for an inspiring discussion. We acknowledge support from the Office of Basic Energy Sciences, Office of Science, U. S. Department of Energy as follows: Contract No. DE-AC02-06CH11357 (P.J.H. and R. S.), Grant Nos. DE-FG02-84ER45076 and DE-FG02-06ER46277 (V. L. S. and D. K. S.), and Grant No. DE-FG03-02ER45996 (D.S.). NR 34 TC 22 Z9 22 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD OCT 7 PY 2009 VL 131 IS 13 AR 131101 DI 10.1063/1.3245404 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 507BR UT WOS:000270825500001 PM 19814536 ER PT J AU Minh, DDL Chodera, JD AF Minh, David D. L. Chodera, John D. TI Optimal estimators and asymptotic variances for nonequilibrium path-ensemble averages SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID FREE-ENERGY DIFFERENCES; HISTOGRAM ANALYSIS METHOD; MOLECULE PULLING EXPERIMENTS; MONTE-CARLO INTEGRATION; EMPIRICAL DISTRIBUTIONS; COMPUTER-SIMULATIONS; FLUCTUATION THEOREM; EQUILIBRIUM; MODELS; BOUNDS AB Existing optimal estimators of nonequilibrium path-ensemble averages are shown to fall within the framework of extended bridge sampling. Using this framework, we derive a general minimal-variance estimator that can combine nonequilibrium trajectory data sampled from multiple path-ensembles to estimate arbitrary functions of nonequilibrium expectations. The framework is also applied to obtain asymptotic variance estimates, which are a useful measure of statistical uncertainty. In particular, we develop asymptotic variance estimates pertaining to Jarzynski's equality for free energies and the Hummer-Szabo expressions for the potential of mean force, calculated from uni- or bidirectional path samples. These estimators are demonstrated on a model single-molecule pulling experiment. In these simulations, the asymptotic variance expression is found to accurately characterize the confidence intervals around estimators when the bias is small. Hence, the confidence intervals are inaccurately described for unidirectional estimates with large bias, but for this model it largely reflects the true error in a bidirectional estimator derived by Minh and Adib. (C) 2009 American Institute of Physics. [doi:10.1063/1.3242285] C1 [Minh, David D. L.] NIDDK, Chem Phys Lab, NIH, Bethesda, MD 20892 USA. [Chodera, John D.] Univ Calif Berkeley, Calif Inst Quantitat Biosci QB3, Berkeley, CA 94720 USA. RP Minh, DDL (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM daveminh@gmail.com; jchodera@berkeley.edu RI Minh, David/A-4655-2009; OI Minh, David/0000-0002-4802-2618; Chodera, John/0000-0003-0542-119X FU Intramural NIH HHS NR 61 TC 29 Z9 29 U1 1 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD OCT 7 PY 2009 VL 131 IS 13 AR 134110 DI 10.1063/1.3242285 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 507BR UT WOS:000270825500011 PM 19814546 ER PT J AU Mather, JH McFarlane, SA AF Mather, James H. McFarlane, Sally A. TI Cloud classes and radiative heating profiles at the Manus and Nauru Atmospheric Radiation Measurement (ARM) sites SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID ATLANTIC TROPICAL EXPERIMENT; CONVECTIVE SYSTEMS; WESTERN PACIFIC; PHASE-III; DIVERGENCE; RADAR; CIRCULATION; FIELDS; CIRRUS AB The tropical western Pacific is a convective regime; however, the frequency and depth of convection is dependent on dynamical forcing which exhibits variability on a range of temporal scales and also on location within the region. Manus Island, Papua New Guinea, lies in the heart of the western Pacific warm pool region and exhibits frequent deep convection much of the time, while Nauru, which lies approximately 20 degrees to the east of Manus, is in a transition zone where the frequency of convection is dependent on the phase of the El Nino - Southern Oscillation. Because of this difference in dynamical regime, the distribution of clouds and the associated radiative heating is quite different at the two sites. Individual cloud types (boundary layer cumulus, thin cirrus, stratiform convective outflow) do occur at both sites, but with different frequencies. In this study we compare cloud profiles and heating profiles for specific cloud types at these two sites using data from the Atmospheric Radiation Measurement (ARM) Climate Research Facility. Results of this comparison indicate that while the frequency of specific cloud types differ between the two sites as one would expect, the characteristics of individual cloud classes are remarkably similar. This information could prove to be very useful for applying tropical ARM data to the broader region. C1 [Mather, James H.; McFarlane, Sally A.] Pacific NW Natl Lab, Climate Phys Grp, Richland, WA 99352 USA. RP Mather, JH (reprint author), Pacific NW Natl Lab, Climate Phys Grp, POB 999,MS K9-38, Richland, WA 99352 USA. EM jim.mather@pnl.gov RI McFarlane, Sally/C-3944-2008 FU U.S. Department of Energy (DOE) FX The Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy (DOE). This research was supported by the DOE Office of Biological and Environmental Research as part of the Atmospheric Radiation Measurement (ARM) program. NR 31 TC 12 Z9 12 U1 0 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD OCT 7 PY 2009 VL 114 AR D19204 DI 10.1029/2009JD011703 PG 12 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 505MQ UT WOS:000270698100001 ER PT J AU Albao, MA Evans, JW Chuang, FC AF Albao, Marvin A. Evans, J. W. Chuang, Feng-Chuan TI A kinetic Monte Carlo study on the role of defects and detachment in the formation and growth of In chains on Si(100) SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID AB-INITIO; FILM GROWTH; AD-DIMER; SURFACE; STM; DIFFUSION; INDIUM; AL AB Deposition on a Si(100) surface and subsequent self-assembly of In atoms into one-dimensional (1D) atomic chains at room temperature is investigated via kinetic Monte Carlo simulation of a suitable atomistic model. Model development is guided by recent experimental observations in which 1D In chains nucleate effectively exclusively at C-type defects, although In atoms can detach from chains. We find that a monotonically decreasing form of the scaled island size distribution (ISD) is consistent with a high defect density which facilitates persistent chain nucleation even at relatively high coverages. The predominance of heterogeneous nucleation may be attributed to several factors including low surface diffusion barriers, a high defect density, and relatively weak In-In binding. C1 [Albao, Marvin A.; Chuang, Feng-Chuan] Natl Sun Yat Sen Univ, Dept Phys, Kaohsiung 804, Taiwan. [Albao, Marvin A.] Univ Philippines Los Banos, Inst Math & Phys Sci, Los Banos 4031, Philippines. [Evans, J. W.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Evans, J. W.] Iowa State Univ, Dept Math, Ames, IA 50011 USA. RP Chuang, FC (reprint author), Natl Sun Yat Sen Univ, Dept Phys, Kaohsiung 804, Taiwan. EM fchuang@mail.nsysu.edu.tw RI Chuang, FengChuan/H-7166-2013 OI Chuang, FengChuan/0000-0003-0351-4253 FU NCTS; National Science Council of Taiwan [NSC95-2112M110-022]; US Department of Energy (USDOE), Office of Basic Energy Sciences [DE-AC02-07CH11358] FX This work was supported by the NCTS and the National Science Council of Taiwan under grant No. NSC95-2112M110-022. We are grateful to the National Center for High-performance Computing in Taiwan for computer time and facilities. JWE was supported by the US Department of Energy (USDOE), Office of Basic Energy Sciences through the Division of Chemical Sciences. His work was performed at the Ames Laboratory which is operated for the USDOE by Iowa State University under contract No. DE-AC02-07CH11358. NR 29 TC 12 Z9 12 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD OCT 7 PY 2009 VL 21 IS 40 AR 405002 DI 10.1088/0953-8984/21/40/405002 PG 8 WC Physics, Condensed Matter SC Physics GA 495XV UT WOS:000269929800004 PM 21832404 ER PT J AU Shukla, AK Dhaka, RS D'Souza, SW Maniraj, M Barman, SR Horn, K Ebert, P Urban, K Wu, D Lograsso, TA AF Shukla, A. K. Dhaka, R. S. D'Souza, S. W. Maniraj, M. Barman, S. R. Horn, K. Ebert, Ph Urban, K. Wu, D. Lograsso, T. A. TI Manganese adlayers on i-Al-Pd-Mn quasicrystal: growth and electronic structure SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID LEVEL PHOTOEMISSION; BINDING ENERGIES; SURFACES; FILMS; FE; CORE; DIFFRACTION; MONOLAYER; INTERFACE; AG(001) AB Pseudomorphic growth of thin elemental metal films is often observed on a variety of crystalline solids. On quasicrystalline surfaces with their complex structure and the absence of translational periodicity, the situation is different since elemental metals do not exhibit quasicrystalline order, and hence the specific interaction between overlayer and substrate is decisive. Here we study the growth of manganese films on an icosahedral i-Al-Pd-Mn alloy with a view to establishing the growth mode and electronic structure. Although we observe an exponential intensity variation of the adlayer and substrate related x-ray photoemission spectroscopy (XPS) peaks, low energy electron diffraction (LEED) shows that Mn adlayers do not exhibit quasicrystallinity. The detailed structure of the Mn 2p core level line reveals considerable electronic structure differences between the quasicrystalline and elemental metal environment. Evidence of a substantial local magnetic moment on the Mn atoms in the overlayer (about 2.8 mu(B)) is obtained from the Mn 3s exchange splitting. C1 [Shukla, A. K.; Dhaka, R. S.; D'Souza, S. W.; Maniraj, M.; Barman, S. R.] UGC DAE Consortium Sci Res, Indore 452001, Madhya Pradesh, India. [Shukla, A. K.] Nancy Univ UPV Metz, CNRS, Inst Jean Lamour, Dept CP2S,ENS Mines Nancy,CS 14234, F-54042 Nancy, France. [Horn, K.] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany. [Ebert, Ph; Urban, K.] Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany. [Wu, D.; Lograsso, T. A.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. RP Shukla, AK (reprint author), UGC DAE Consortium Sci Res, Khandwa Rd, Indore 452001, Madhya Pradesh, India. EM Ajay.Shukla@mines.inpl-nancy.fr RI Roy Barman, Sudipta/B-2026-2010; Dhaka, Rajendra/F-9018-2011; Dhaka, Rajendra/C-2486-2013; OI Ebert, Ph./0000-0002-2022-2378 FU Chemistry Department of Centre National De La Recherche Scientifique, France; US Department of Energy, Basic Energy Sciences [De-AC02-07CH11358] FX The work has been performed through funding from D S T Max Planck Institute Partner Group project and Ramanna Research Grant. AKS acknowledges support from the Chemistry Department of Centre National De La Recherche Scientifique, France. DW and TAL acknowledge support from the US Department of Energy, Basic Energy Sciences under Contract No. De-AC02-07CH11358. NR 46 TC 6 Z9 6 U1 1 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD OCT 7 PY 2009 VL 21 IS 40 AR 405005 DI 10.1088/0953-8984/21/40/405005 PG 8 WC Physics, Condensed Matter SC Physics GA 495XV UT WOS:000269929800007 PM 21832407 ER PT J AU Melechko, AV Desikan, R McKnight, TE Klein, KL Rack, PD AF Melechko, Anatoli V. Desikan, Ramya McKnight, Timothy E. Klein, Kate L. Rack, Philip D. TI Synthesis of vertically aligned carbon nanofibres for interfacing with live systems SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Review ID CHEMICAL-VAPOR-DEPOSITION; ADDRESSABLE BIOMOLECULAR FUNCTIONALIZATION; ELECTRON-TRANSFER KINETICS; LARGE-SCALE SYNTHESIS; GENE DELIVERY ARRAYS; DIAMOND THIN-FILMS; ELECTROCHEMICAL CHARACTERIZATION; FORCE MICROSCOPY; CYTOCHROME-C; NANOELECTRODE ENSEMBLES AB The ability to synthesize carbon nanofibres (CNFs) with a high degree of control over their geometry, location and structure via catalytic plasma-enhanced chemical vapour deposition has expanded the possibility of new applications. The nanoscale dimensions and high aspect ratio of vertically aligned carbon nanofibres (VACNFs), along with favourable physical and chemical characteristics, has provided a nanostructured material with properties that are well-suited for interfacing with live cells and tissues. This review surveys the aspects of synthesis, integration and functionalization of VACNFs, followed by examples of how VACNFs have been used to interface with live systems for a variety of advanced nanoscale biological applications. C1 [Melechko, Anatoli V.; Desikan, Ramya] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. [McKnight, Timothy E.; Klein, Kate L.; Rack, Philip D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Klein, Kate L.; Rack, Philip D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Melechko, AV (reprint author), N Carolina State Univ, Dept Mat Sci & Engn, Box 7907, Raleigh, NC 27695 USA. RI Melechko, Anatoli/B-8820-2008; McKnight, Tim/H-3087-2011; OI McKnight, Tim/0000-0003-4326-9117; Rack, Philip/0000-0002-9964-3254 FU DOE Office of Science; NIBIB [R01EB006316] FX AVM and PDR would like to acknowledge the support by the Materials Sciences and Engineering programme of the DOE Office of Science. AVM and TEM was supported by grant R01EB006316 ( NIBIB) and through the Laboratory Directed Research and Development funding programme of the Oak Ridge National Laboratory, which is managed for the US Department of Energy by UT- Battelle, LLC. KLK was supported by the Center for Nanophase Materials Sciences, which is sponsored by the US Department of Energy, Basic Energy Sciences, Division of Scientific User Facilities. NR 140 TC 19 Z9 19 U1 2 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD OCT 7 PY 2009 VL 42 IS 19 AR 193001 DI 10.1088/0022-3727/42/19/193001 PG 28 WC Physics, Applied SC Physics GA 496RJ UT WOS:000269993100002 ER PT J AU Tsunegi, S Sakuraba, Y Oogane, M Telling, ND Shelford, LR Arenholz, E van der Laan, G Hicken, RJ Takanashi, K Ando, Y AF Tsunegi, S. Sakuraba, Y. Oogane, M. Telling, N. D. Shelford, L. R. Arenholz, E. van der Laan, G. Hicken, R. J. Takanashi, K. Ando, Y. TI Tunnel magnetoresistance in epitaxially grown magnetic tunnel junctions using Heusler alloy electrode and MgO barrier SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID HALF-METALLIC FERROMAGNET; ROOM-TEMPERATURE; SPIN-POLARIZATION; DEPENDENCE AB Epitaxially grown magnetic tunnel junctions (MTJs) with a stacking structure of Co2MnSi/MgO/CoFe were fabricated. Their tunnel magnetoresistance (TMR) effects were investigated. The TMR ratio and tunnelling conductance characteristics of MTJs were considerably different between those with an MgO barrier prepared using sputtering (SP-MTJ) and those prepared using EB evaporation (EB-MTJ). The EB-MTJ exhibited a very large TMR ratio of 217% at room temperature and 753% at 2K. The bias voltage dependence of the tunnelling conductance in the parallel magnetic configuration for the EB-MTJ suggests that the observed large TMR ratio at RT results from the coherent tunnelling process through the crystalline MgO barrier. The tunnelling conductance in the anti-parallel magnetic configuration suggests that the large temperature dependence of the TMR ratio results from the inelastic spin-flip tunnelling process. C1 [Tsunegi, S.; Oogane, M.; Ando, Y.] Tohoku Univ, Grad Sch Engn, Dept Appl Phys, Sendai, Miyagi 9808579, Japan. [Sakuraba, Y.; Takanashi, K.] Tohoku Univ, Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan. [Telling, N. D.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester M13 9P, Lancs, England. [Telling, N. D.] STFC Daresbury Lab, Magnet Spect Grp, Warrington WA4 4AD, Cheshire, England. [Shelford, L. R.; van der Laan, G.; Hicken, R. J.] Univ Exeter, Sch Phys, Exeter EX4 4QL, Devon, England. [Arenholz, E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [van der Laan, G.] Diamond Light Source, Didcot OX11 0DE, Oxon, England. RP Tsunegi, S (reprint author), Tohoku Univ, Grad Sch Engn, Dept Appl Phys, Aoba Yama 6-6-05, Sendai, Miyagi 9808579, Japan. RI Sakuraba, Yuya/C-1902-2009; Takanashi, Koki/A-9488-2011; van der Laan, Gerrit/Q-1662-2015 OI van der Laan, Gerrit/0000-0001-6852-2495 FU Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT); US Department of Energy [DE-AC02-05CH11231] FX This study was supported by the 'High-Performance Low-Power Consumption Spin Devices and Storage Systems' programme under Research and Development for Next-Generation Information Technology, and Grant-in-Aid for Scientific Research for Priority Area 'Creation and Control of Spin Current' by the Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT). This research was partly conducted at the Laboratory for Nanoelectronics and Spintronics, Research Institute of Electrical Communication, Tohoku University. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract No DE-AC02-05CH11231. NR 27 TC 9 Z9 9 U1 0 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 EI 1361-6463 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD OCT 7 PY 2009 VL 42 IS 19 AR 195004 DI 10.1088/0022-3727/42/19/195004 PG 6 WC Physics, Applied SC Physics GA 496RJ UT WOS:000269993100026 ER PT J AU Knappenberger, KL Schwartzberg, AM Dowgiallo, AM Lowman, CA AF Knappenberger, Kenneth L., Jr. Schwartzberg, Adam M. Dowgiallo, Anne-Marie Lowman, Casey A. TI Electronic Relaxation Dynamics in Isolated and Aggregated Hollow Gold Nanospheres SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SINGLE-MOLECULE FLUORESCENCE; COUPLED METAL NANOPARTICLES; OPTICAL-PROPERTIES; ENHANCED FLUORESCENCE; PLASMON RESONANCE; ULTRAFAST; SPECTROSCOPY; NANOCRYSTALS; AG AB Electronic relaxation and interparticle electromagnetic coupling processes in hollow gold nanospheres (HGNs) and HGN aggregates are described. These plasmon-tunable HGNS exhibit an unexpected, but systematic, blue shift of the surface plasmon resonance spectral position when the particles are aggregated. Femtosecond transient absorption measuements and finite-difference time-domain (FDTD) calculations are used to demonstrate that this blue shift is the result of delocalization of the Fermi-gas over multiple particles, an effect not observed with solid spherical particles. The ultrafast electron-phonon coupling lifetimes for the thin-shelled HGNs increase upon aggregation, indicating significant enhancement in interparticle electromagnetic coupling. For instance, a 48-nm HGN with a shell thickness of 7 nm shows ultrafast electron-phonon coupling with a lifetime of 300 +/- 100 fs, and upon aggregation, this lifetime increases to 730 +/- 140 fs. The experimental data strongly suggest that confinement effects in HGNs allow for enhanced energy transport over nanometer distances and this effect can be applied to developing more efficient devices, including photovoltaics. C1 [Knappenberger, Kenneth L., Jr.; Dowgiallo, Anne-Marie; Lowman, Casey A.] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. [Schwartzberg, Adam M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Knappenberger, KL (reprint author), Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA. EM klk@chem.fsu.edu FU Florida State University; CRC-FYAP; [NSF-DMR0654118] FX K.L.K. acknowledges Florida State University, CRC-FYAP, and NSF-DMR0654118 for financial support. NR 29 TC 26 Z9 26 U1 3 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 7 PY 2009 VL 131 IS 39 BP 13892 EP + DI 10.1021/ja903086g PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 502DC UT WOS:000270433900004 PM 19788321 ER PT J AU Blois, TM Hong, H Kim, TH Bowie, JU AF Blois, Tracy M. Hong, Heedeok Kim, Tae H. Bowie, James U. TI Protein Unfolding with a Steric Trap SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID HUMAN DIHYDROFOLATE-REDUCTASE; DENATURED STATE; STREPTAVIDIN; BINDING; METHOTREXATE; STABILITY; EQUILIBRIUM; VARIANTS; DOMAINS; SYSTEM AB The study of protein folding requires a method to drive unfolding, which is typically accomplished by altering solution conditions to favor the denatured state. This has the undesirable consequence that the molecular forces responsible for configuring the polypeptide chain are also changed. It would therefore be useful to develop methods that can drive unfolding without the need for destabilizing solvent conditions. Here we introduce a new method to accomplish this goat, which we call steric trapping. In the steric trap method, the target protein is labeled with two biotin tags placed close in space so that both biotin tags can only be bound by streptavidin when the protein unfolds. Thus, binding of the second streptavidin is energetically coupled to unfolding of the target protein. Testing the method on a model protein, dihydrofolate reductase (DHFR), we find that streptavidin binding can drive unfolding and that the apparent binding affinity reports on changes in DHFR stability. Finally, by employing the slow off-rate of wild-type streptavidin, we find that DHFR can be locked in the unfolded state. The steric trap method provides a simple method for studying aspects of protein folding and stability in native solvent conditions, could be used to specifically unfold selected domains, and could be applicable to membrane proteins. C1 [Blois, Tracy M.; Hong, Heedeok; Kim, Tae H.; Bowie, James U.] Univ Calif Los Angeles, Dept Chem & Biochem, UCLA DOE Inst Genom & Prote, Inst Mol Biol, Los Angeles, CA 90095 USA. RP Bowie, JU (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, UCLA DOE Inst Genom & Prote, Inst Mol Biol, Los Angeles, CA 90095 USA. EM bowie@mbi.ucla.edu FU NIH [R01 GM063919, R01 GM081783] FX We thank Alice Ting for monovalent streptavidin constructs and all Bowie lab members for thoughtful reading of the manuscript. The work was supported by NIH Grants R01 GM063919 and R01 GM081783 to J.U.B. and an NIH Chemistry-Biology Interface training fellowship to T.M.B. NR 24 TC 13 Z9 13 U1 1 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 7 PY 2009 VL 131 IS 39 BP 13914 EP + DI 10.1021/ja905725n PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 502DC UT WOS:000270433900015 PM 19739627 ER PT J AU Wu, ZG Allendorf, MD Grossman, JC AF Wu, Zhigang Allendorf, Mark D. Grossman, Jeffrey C. TI Quantum Monte Carlo Simulation of Nanoscale MgH2 Cluster Thermodynamics SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID HYDROGEN-STORAGE; DENSITY; MAGNESIUM; NANOPARTICLES; SYSTEM AB We calculated the desorption energy of MgH2 clusters using the highly accurate quantum Monte Carlo (QMC) approach, which can provide desorption energies with chemical accuracy (within similar to 1 kcal/mol) and therefore provides a valuable benchmark for such hydrogen-storage simulations. Compared with these QMC results, the most widely used density functional theory (DFT) computations (including a wide range of exchange-correlation functionals) cannot reach a consistent and suitable Level of accuracy across the thermodynamically tunable range for MgH2 clusters. Furthermore, our QMC calculations show that the DFT error depends substantially on cluster size. These results suggest that in simulating metal-hydride systems it is very important to apply accurate methods that go beyond traditional mean-field approaches as a benchmark of their performance for a given material, and QMC is an appealing method to provide such a benchmark due to its high level of accuracy and favorable scaling (N-3) with the number of electrons. C1 [Wu, Zhigang; Grossman, Jeffrey C.] Univ Calif Berkeley, Berkeley Nanotechnol & Nanosci Inst, Berkeley, CA 94720 USA. [Allendorf, Mark D.] Sandia Natl Labs, Energy Nanomat Dept, Livermore, CA 94551 USA. [Wu, Zhigang] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Grossman, Jeffrey C.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. RP Grossman, JC (reprint author), Univ Calif Berkeley, Berkeley Nanotechnol & Nanosci Inst, Berkeley, CA 94720 USA. EM jcg@mit.edu RI Wu, Zhigang/K-2554-2014 OI Wu, Zhigang/0000-0001-8959-2345 FU U.S. Department of Energy Office of Hydrogen, Fuel Cells, and Infrastructure Program FX This work was Supported by the U.S. Department of Energy Office of Hydrogen, Fuel Cells, and Infrastructure Program. Calculations were performed at NERSC in Lawrence Berkeley National Laboratory and at TACC through the Teragrid. We thank L. Wagner, L. Wang, and D. Johnson for useful discussions. NR 22 TC 40 Z9 41 U1 0 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 7 PY 2009 VL 131 IS 39 BP 13918 EP + DI 10.1021/ja905639m PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 502DC UT WOS:000270433900017 PM 19739635 ER PT J AU Park, J Zheng, H Jun, YW Alivisatos, AP AF Park, Jungwon Zheng, Haimei Jun, Young-Wook Alivisatos, A. Paul TI Hetero-Epitaxial Anion Exchange Yields Single-Crystalline Hollow Nanoparticles SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CATION-EXCHANGE; NANOCRYSTALS; KIRKENDALL; DIFFUSION; NANORODS; NANOSTRUCTURES; GOLD; ZNS AB Anion exchange with S was performed on ZnO colloidal nanoparticles. The resulting hollow ZnS nanoparticles are crystal whose shape is dictated by the initial ZnO. Crystallographic and elemental analyses provide insight into the mechanism of the anion exchange. C1 [Park, Jungwon; Zheng, Haimei; Jun, Young-Wook; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Zheng, Haimei] Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Zheng, Haimei; Jun, Young-Wook; Alivisatos, A. Paul] Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Alivisatos, AP (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM alivis@berkeley.edu RI Jun, Young-wook/A-4141-2008; Alivisatos , Paul /N-8863-2015; Park, Jungwon/O-1153-2016 OI Alivisatos , Paul /0000-0001-6895-9048; Park, Jungwon/0000-0003-2927-4331 FU U.S. Department of Energy [DE-AC02-05CH11231]; DAF AFOSR [FA9550-07-1-0334] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 for funding the development of a new synthetic approach for the hollow nanomaterials and by a grant from DAF AFOSR under Award No. FA9550-07-1-0334 for the examination of the nanomaterials for energy absorbing properties. Helpful discussions with and revision by Jennifer A. Dionne are acknowledged. TEM investigation was performed at National Center for Electron Microscope, LBNL. NR 22 TC 114 Z9 115 U1 11 U2 122 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 7 PY 2009 VL 131 IS 39 BP 13943 EP + DI 10.1021/ja905732q PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 502DC UT WOS:000270433900028 PM 19788329 ER PT J AU Lipton, AS Heck, RW de Jong, WA Gao, AR Wu, XJ Roehrich, A Harbison, GS Ellis, PD AF Lipton, Andrew S. Heck, Robert W. de Jong, Wibe A. Gao, Amy R. Wu, Xiongjian Roehrich, Adrienne Harbison, Gerard S. Ellis, Paul D. TI Low Temperature Cu-65 NMR Spectroscopy of the Cu+ Site in Azurin SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ELECTRIC-FIELD GRADIENTS; CYTOCHROME-C-OXIDASE; BLUE COPPER PROTEINS; GAUSSIAN-BASIS SETS; X-RAY-ABSORPTION; PSEUDOMONAS-AERUGINOSA; CRYSTAL-STRUCTURE; STRUCTURAL FEATURES; DENSITY FUNCTIONALS; ATOMS LI AB Cu-65 central-transition NMR spectroscopy of the blue copper protein azurin in the reduced Cu(I) state, conducted at 18.8 T and 10 K, gave a strongly second order quadrupole perturbed spectrum, which yielded a Cu-65 quadrupole coupling constant of +/- 71.2 +/- 1 MHz, corresponding to an electric field gradient of +/- 1.49 atomic units at the copper site, and an asymmetry parameter of approximately 0.2. Quantum chemical calculations employing second order Moller-Plesset perturbation theory and large basis sets successfully reproduced these experimental results. Sensitivity and relaxation times were quite favorable, suggesting that NMR may be a useful probe of the electronic state of copper sites in proteins. C1 [Lipton, Andrew S.; Heck, Robert W.; de Jong, Wibe A.; Gao, Amy R.; Ellis, Paul D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Wu, Xiongjian; Roehrich, Adrienne; Harbison, Gerard S.] Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA. RP Harbison, GS (reprint author), Pacific NW Natl Lab, Div Biol Sci, 902 Battelle Blvd, Richland, WA 99352 USA. EM gerry@setanta.unl.edu RI DE JONG, WIBE/A-5443-2008 OI DE JONG, WIBE/0000-0002-7114-8315 FU National Institutes of Health (NIH) [EB-2050]; United States Department of Energy (DOE) Office of Science; U.S. Department of Energy's Office of Biological and Environmental Research FX This project was supported by grants from the National Institutes of Health (NIH, Federal Grant EB-2050) and the United States Department of Energy (DOE) Office of Science, through PNNL's Science Undergraduate Laboratory Internship (SULI) program for ARG. This research was carried out in the Environmental Molecular Sciences Laboratory (a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research) located at Pacific Northwest National Laboratory and operated for DOE by Battelle. Computations were performed in part using the Molecular Science Computing Facility in EMSL. NWChem Version 5.1, as developed and distributed by Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352 USA, and funded by the U.S. Department of Energy, was used to obtain some of these results. We thank Jesse Sears for extensive modifications of NMR probes to eliminate copper background signals, and GSH thanks EMSL for partial funding of a sabbatical. The Macintosh cluster at the University of Nebraska was provided by the Defense Advanced Research Projects Agency. NR 67 TC 17 Z9 17 U1 1 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 7 PY 2009 VL 131 IS 39 BP 13992 EP 13999 DI 10.1021/ja901308v PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 502DC UT WOS:000270433900035 PM 19746904 ER PT J AU Lee, SE Sasaki, DY Perroud, TD Yoo, D Patel, KD Lee, LP AF Lee, Somin Eunice Sasaki, Darryl Y. Perroud, Thomas D. Yoo, Daniel Patel, Kamlesh D. Lee, Luke P. TI Biologically Functional Cationic Phospholipid-Gold Nanoplasmonic Carriers of RNA SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID BREAST-CANCER CELLS; IN-VIVO; PHOTOTHERMAL THERAPY; LIVING CELLS; ENCAPSULATED MATERIALS; SURFACE MODIFICATION; GENE-EXPRESSION; CELLULAR UPTAKE; OPTICAL FORCES; DRUG-DELIVERY AB Biologically functional cationic phospholipid-gold nanoplasmonic carriers have been designed to simultaneously exhibit carrier capabilities, demonstrate improved colloidal stability, and show no cytotoxicity under physiological conditions. Cargo, such as RNA, DNA, proteins, or drugs, can be adsorbed onto or incorporated into the cationic phospholipid bilayer membrane. These carriers are able to retain their unique nanoscale optical properties under physiological conditions, making them particularly useful in a wide range of imaging, therapeutic, and gene delivery applications that utilize selective nanoplasmonic properties. C1 [Lee, Somin Eunice; Yoo, Daniel; Lee, Luke P.] Univ Calif Berkeley, UCSF UCB Joint Grad Grp Bioengn, Berkeley Sensor & Actuator Ctr, Dept Bioengn,Biomol Nanotechnol Ctr, Berkeley, CA 94720 USA. [Sasaki, Darryl Y.; Perroud, Thomas D.; Patel, Kamlesh D.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Lee, LP (reprint author), Univ Calif Berkeley, UCSF UCB Joint Grad Grp Bioengn, Berkeley Sensor & Actuator Ctr, Dept Bioengn,Biomol Nanotechnol Ctr, Berkeley, CA 94720 USA. EM lplee@berkeley.edu RI Patel, Kamlesh/A-9728-2009 FU National Physical Science Consortium (NPSC); Department of Energy Office of Basic Energy Sciences [DE-AC04-94AL85000] FX We acknowledge the National Physical Science Consortium (NPSC) graduate fellowship for support of S.E.L. We thank Terry Johnson and Dave Robinson for technical insight. We thank the UC Berkeley undergraduate students Dana Donnenwirth, Daniel Rosen, Gabe Sudario, and Alan Wilk for assistance with viability/cytotoxicity experiments. We also thank Ann Fischer and Michelle Yasukawa of the UC Berkeley Tissue Culture Facility for long-term maintenance of MCF-7 and BT474 cell lines. We acknowledge the Division of Materials Science and Engineering in the Department of Energy Office of Basic Energy Sciences for financial support of D.Y.S. at Sandia. Sandia is a multiprogram laboratory operated by Sandia Corp., a Lockheed Martin Co., for the United States Department of Energy under Contract DE-AC04-94AL85000. NR 59 TC 49 Z9 50 U1 1 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 7 PY 2009 VL 131 IS 39 BP 14066 EP 14074 DI 10.1021/ja904326j PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 502DC UT WOS:000270433900043 PM 19746908 ER PT J AU Ding, ZF Currier, RP Zhao, YS Yang, DL AF Ding, Zhongfen Currier, Robert P. Zhao, Yusheng Yang, Dali TI Self-Assembled Polyaniline Nanotubes with Rectangular Cross-Sections SO MACROMOLECULAR CHEMISTRY AND PHYSICS LA English DT Article DE intermediate aggregates; morphology; open circuit potential; polyaniline nanotubes; reaction kinetics; rectangular cross-sections; self-assembly ID CONDUCTING POLYMER NANOSTRUCTURES; OXIDATIVE POLYMERIZATION; MORPHOLOGICAL EVOLUTION; SUB-MICROTUBES; ANILINE; MECHANISM; ACID; DENDRITES; TEMPLATE; ESR AB Nanomaterials made from the conducting polymer polyaniline (PANI) have very unique applications due to their high surface area and ease of processing. The link between synthesis conditions and morphology of PANI nanomaterials has been the subject of numerous investigations in recent years. Formation mechanisms for different morphologies have also been proposed. In this work, we report a self-assembly method to make high yield PANI nanotubes with rectangular holes and outer contours by qualitatively and purposely controlling reaction rate. We find that aggregation of detectable and separable reaction intermediates is directly correlated with PANI nanotubes formation, consistent with the observation of oligoaniline precipitates reported in the literature. Control over intermediate aggregates morphology is studied systematically. By controlling the reaction rate through adjusting acid and oxidant concentrations, we can slow down the aggregation rate of the intermediates to largely enhance the yield of nanotubes with rectangular cross-sections. To understand the correlation between the intermediates aggregation and the morphology of the resulting PANI tubes, the morphologies of intermediate aggregates and final nanotubes were characterized using SEM, STEM, and TEM. Open circuit potential (OCP) was used to monitor the polymerization process. Molecular weight distribution results were also obtained for the intermediate aggregates and the final products. Based on our study, we propose a simple PANI nanotube formation mechanism. C1 [Ding, Zhongfen; Currier, Robert P.; Zhao, Yusheng; Yang, Dali] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Ding, ZF (reprint author), Los Alamos Natl Lab, MST 7,MS E544, Los Alamos, NM 87545 USA. EM zding@lanl.gov; dyang@lanl.gov RI Lujan Center, LANL/G-4896-2012 FU Laboratory Directed Research and Development program FX We would like to thank Dr. Ross E. Muenchausen (LANL MST-8) for UV-Vis access and Dr. Rob Dickerson and Dr. Rod McCabe (LANL MST-6) for SEM and TEM access and Dr. Debra Wrobleski for GPC access. We also would like to thank Professor Richard B. Kaner (UCLA) for thoughtful discussions. This work was supported by the Laboratory Directed Research and Development program at Los Alamos National Laboratory. NR 35 TC 20 Z9 23 U1 1 U2 31 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1022-1352 J9 MACROMOL CHEM PHYSIC JI Macromol. Chem. Phys. PD OCT 7 PY 2009 VL 210 IS 19 BP 1600 EP 1606 DI 10.1002/macp.200900250 PG 7 WC Polymer Science SC Polymer Science GA 507NA UT WOS:000270859800004 ER PT J AU Nikiforov, MP Reukov, VV Thompson, GL Vertegel, AA Guo, S Kalinin, SV Jesse, S AF Nikiforov, M. P. Reukov, V. V. Thompson, G. L. Vertegel, A. A. Guo, S. Kalinin, S. V. Jesse, S. TI Functional recognition imaging using artificial neural networks: applications to rapid cellular identification via broadband electromechanical response SO NANOTECHNOLOGY LA English DT Article ID ATOMIC-FORCE MICROSCOPY; CELLS; CANTILEVER; NANOSCALE; DYNAMICS; TRENDS AB Functional recognition imaging in scanning probe microscopy (SPM) using artificial neural network identification is demonstrated. This approach utilizes statistical analysis of complex SPM responses at a single spatial location to identify the target behavior, which is reminiscent of associative thinking in the human brain, obviating the need for analytical models. We demonstrate, as an example of recognition imaging, rapid identification of cellular organisms using the difference in electromechanical activity over a broad frequency range. Single-pixel identification of model Micrococcus lysodeikticus and Pseudomonas fluorescens bacteria is achieved, demonstrating the viability of the method. C1 [Nikiforov, M. P.; Guo, S.; Kalinin, S. V.; Jesse, S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Reukov, V. V.; Thompson, G. L.; Vertegel, A. A.] Clemson Univ, Dept Bioengn, Clemson, SC 29634 USA. RP Nikiforov, MP (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Nikiforov, Maxim/C-1965-2012; Kalinin, Sergei/I-9096-2012; Jesse, Stephen/D-3975-2016 OI Kalinin, Sergei/0000-0001-5354-6152; Jesse, Stephen/0000-0002-1168-8483 FU Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; NIH [RR024449]; ORNL SEED program FX This research was supported by the ORNL SEED program (SJ, MPN, SVK). Part of this research, at the Oak Ridge National Laboratory's Center for Nanophase Materials Sciences, was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. The research was supported in part by NIH grant RR024449. NR 39 TC 12 Z9 12 U1 1 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 EI 1361-6528 J9 NANOTECHNOLOGY JI Nanotechnology PD OCT 7 PY 2009 VL 20 IS 40 AR 405708 DI 10.1088/0957-4484/20/40/405708 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 495XW UT WOS:000269929900035 PM 19752493 ER PT J AU Chapuran, TE Toliver, P Peters, NA Jackel, J Goodman, MS Runser, RJ McNown, SR Dallmann, N Hughes, RJ McCabe, KP Nordholt, JE Peterson, CG Tyagi, KT Mercer, L Dardy, H AF Chapuran, T. E. Toliver, P. Peters, N. A. Jackel, J. Goodman, M. S. Runser, R. J. McNown, S. R. Dallmann, N. Hughes, R. J. McCabe, K. P. Nordholt, J. E. Peterson, C. G. Tyagi, K. T. Mercer, L. Dardy, H. TI Optical networking for quantum key distribution and quantum communications SO NEW JOURNAL OF PHYSICS LA English DT Article ID FIBER; CRYPTOGRAPHY; SWITCH AB Modern optical networking techniques have the potential to greatly extend the applicability of quantum communications by moving beyond simple point-to-point optical links and by leveraging existing fibre infrastructures. We experimentally demonstrate many of the fundamental capabilities that are required. These include optical-layer multiplexing, switching and routing of quantum signals; quantum key distribution (QKD) in a dynamically reconfigured optical network; and coexistence of quantum signals with strong conventional telecom traffic on the same fibre. We successfully operate QKD at 1310 nm over a fibre shared with four optically amplified data channels near 1550 nm. We identify the dominant impairment as spontaneous anti-Stokes Raman scattering of the strong signals, quantify its impact, and measure and model its propagation through fibre. We describe a quantum networking architecture which can provide the flexibility and scalability likely to be critical for supporting widespread deployment of quantum applications. C1 [Chapuran, T. E.; Toliver, P.; Peters, N. A.; Jackel, J.; Goodman, M. S.] Telcordia Technol, Piscataway, NJ 08854 USA. [Runser, R. J.; McNown, S. R.] Lab Telecommun Sci, College Pk, MD 20740 USA. [Dallmann, N.; Hughes, R. J.; McCabe, K. P.; Nordholt, J. E.; Peterson, C. G.; Tyagi, K. T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Mercer, L.; Dardy, H.] USN, Res Lab, Washington, DC 20375 USA. RP Chapuran, TE (reprint author), Telcordia Technol, 1 Telcordia Dr, Piscataway, NJ 08854 USA. EM tc@research.telcordia.com RI McCabe, Kevin/H-3381-2013; Peters, Nicholas/F-2530-2010 OI Peters, Nicholas/0000-0002-7215-9630 FU IARPA; Laboratory for Telecommunications Sciences FX We gratefully acknowledge that this work was supported by IARPA, and hosted by the Laboratory for Telecommunications Sciences. NR 41 TC 78 Z9 85 U1 1 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD OCT 7 PY 2009 VL 11 AR 105001 DI 10.1088/1367-2630/11/10/105001 PG 19 WC Physics, Multidisciplinary SC Physics GA 507AJ UT WOS:000270821200001 ER PT J AU Zeng, GSL Gullberg, GT AF Zeng, Gengsheng L. Gullberg, Grant T. TI Exact iterative reconstruction for the interior problem SO PHYSICS IN MEDICINE AND BIOLOGY LA English DT Article ID ROI RECONSTRUCTION; RADON-TRANSFORM; PROJECTIONS; TOMOGRAPHY AB There is a trend in single photon emission computed tomography (SPECT) that small and dedicated imaging systems are becoming popular. For example, many companies are developing small dedicated cardiac SPECT systems with different designs. These dedicated systems have a smaller field of view (FOV) than a full- size clinical system. Thus data truncation has become the norm rather than the exception in these systems. Therefore, it is important to develop region of interest (ROI) reconstruction algorithms using truncated data. This paper is a stepping stone toward this direction. This paper shows that the common generic iterative image reconstruction algorithms are able to exactly reconstruct the ROI under the conditions that the convex ROI is fully sampled and the image value in a sub-region within the ROI is known. If the ROI includes a sub-region that is outside the patient body, then the conditions can be easily satisfied. C1 [Zeng, Gengsheng L.] Univ Utah, Dept Radiol, Utah Ctr Adv Imaging, Salt Lake City, UT 84108 USA. [Gullberg, Grant T.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Radiotracer Dev & Imaging Technol, Berkeley, CA 94720 USA. RP Zeng, GSL (reprint author), Univ Utah, Dept Radiol, Utah Ctr Adv Imaging, Salt Lake City, UT 84108 USA. EM larry@ucair.med.utah.edu; gtgullberg@lbl.gov FU Margolis Foundation; NIH [EB00121]; US Department of Energy [DE-AC02-05CH11231] FX This work was supported in part by the Margolis Foundation and an NIH grant EB00121 and by the Director, Office of Science, Office of Biological and Environmental Research of the US Department of Energy under contract DE-AC02-05CH11231. NR 14 TC 12 Z9 12 U1 1 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0031-9155 J9 PHYS MED BIOL JI Phys. Med. Biol. PD OCT 7 PY 2009 VL 54 IS 19 BP 5805 EP 5814 DI 10.1088/0031-9155/54/19/009 PG 10 WC Engineering, Biomedical; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Radiology, Nuclear Medicine & Medical Imaging GA 497IE UT WOS:000270051600010 PM 19741279 ER PT J AU Choi, M Sukumar, N Liu, AM Davidson, VL AF Choi, Moonsung Sukumar, Narayanasami Liu, Aimin Davidson, Victor L. TI Defining the Role of the Axial Ligand of the Type 1 Copper Site in Amicyanin by Replacement of Methionine with Leucine SO BIOCHEMISTRY LA English DT Article ID INTERPROTEIN ELECTRON-TRANSFER; C-TYPE CYTOCHROMES; X-RAY-STRUCTURE; METHYLAMINE DEHYDROGENASE; PARACOCCUS-DENITRIFICANS; REDUCTION POTENTIALS; CRYSTAL-STRUCTURES; REORGANIZATION ENERGY; OXIDATION-REDUCTION; ANGSTROM RESOLUTION AB The effects of replacing the axial methionine ligand of the type I copper site with leucine on the structure and function of amicyanin have been characterized. The crystal structures of the oxidized and reduced forms of the protein reveal that the copper site is now tricoordinate with no axial ligand, and that the copper coordination distances for the two ligands provided by histidines are significantly increased. Despite these structural changes, the absorption and EPR spectra of M98L amicyanin are only slightly altered and still consistent with that of a typical type 1 site. The oxidation-reduction midpoint potential (E(m)) value becomes 127 mV more positive as a consequence of the M98L mutation, most likely because of the increased hydrophobicity of the copper site. The most dramatic effect of the mutation was on the electron transfer (ET) reaction from reduced M98L amicyanin to cytochrome c(55li) within the protein ET complex. The rate decreased 435-fold, which was much more than expected from the change in E(m). Examination of the temperature dependence of the ET rate (k(ET)) revealed that the mutation caused a 13.6-fold decrease in the electronic coupling (H(AB)) for the reaction. A similar decrease was predicted from a comparative analysis of the crystal structures of reduced M98L and native amicyanins. The most direct route of ET for this reaction is through the Met98 ligand. Inspection of the structures suggests that the major determinant of the large decrease in the experimentally determined values of H(AB) and k(ET) is the increased distance from the copper to the protein within the type 1 site of M98L amicyanin. C1 [Choi, Moonsung; Davidson, Victor L.] Univ Mississippi, Med Ctr, Dept Biochem, Jackson, MS 39216 USA. [Sukumar, Narayanasami] Cornell Univ, Argonne Natl Lab, NE CAT, Argonne, IL 60439 USA. [Sukumar, Narayanasami] Cornell Univ, Argonne Natl Lab, Dept Chem & Chem Biol, Argonne, IL 60439 USA. [Liu, Aimin] Georgia State Univ, Dept Chem, Atlanta, GA 30302 USA. RP Davidson, VL (reprint author), Univ Mississippi, Med Ctr, Dept Biochem, 2500 N State St, Jackson, MS 39216 USA. EM sukumar@anl.gov; vdavidson@biochem.umsmed.edu RI Liu, Aimin/C-1572-2017; OI Liu, Aimin/0000-0002-4182-8176; Davidson, Victor/0000-0002-1966-7302 FU National Institutes of Health (NIH) [GM-41574]; NCRR [RR-15301]; NIH; U.S. Department of Energy, Office of Science, Office of Basic Energy Science [DE-AC02-06CH11357] FX This work was supported by National Institutes of Health (NIH) Grant GM-41574 (V.L.D.). Use of NE-CAT beamlines and this work is supported by Award RR-15301 (NE-CAT facility) from the NCRR, NIH. Use of the APS is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Science. under Contract DE-AC02-06CH11357. NR 61 TC 12 Z9 12 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD OCT 6 PY 2009 VL 48 IS 39 BP 9174 EP 9184 DI 10.1021/bi900836h PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 498JU UT WOS:000270136600002 PM 19715303 ER PT J AU Cherezov, V Hanson, MA Griffith, MT Hilgart, MC Sanishvili, R Nagarajan, V Stepanov, S Fischetti, RF Kuhn, P Stevens, RC AF Cherezov, Vadim Hanson, Michael A. Griffith, Mark T. Hilgart, Mark C. Sanishvili, Ruslan Nagarajan, Venugopalan Stepanov, Sergey Fischetti, Robert F. Kuhn, Peter Stevens, Raymond C. TI Rastering strategy for screening and centring of microcrystal samples of human membrane proteins with a sub-10 mu m size X-ray synchrotron beam SO JOURNAL OF THE ROYAL SOCIETY INTERFACE LA English DT Article DE lipidic cubic phase; G protein-coupled receptor; minibeam; microcrystallography ID LIPIDIC CUBIC PHASES; RADIATION-DAMAGE; CRYSTAL-STRUCTURE; COUPLED RECEPTOR; SOLUBLE-PROTEINS; DIFFRACTION DATA; BINDING-SITE; CRYSTALLOGRAPHY; CRYSTALLIZATION; RESOLUTION AB Crystallization of human membrane proteins in lipidic cubic phase often results in very small but highly ordered crystals. Advent of the sub-10 mu m minibeam at the APS GM/CA CAT has enabled the collection of high quality diffraction data from such microcrystals. Herein we describe the challenges and solutions related to growing, manipulating and collecting data from optically invisible microcrystals embedded in an opaque frozen in meso material. Of critical importance is the use of the intense and small synchrotron beam to raster through and locate the crystal sample in an efficient and reliable manner. The resulting diffraction patterns have a significant reduction in background, with strong intensity and improvement in diffraction resolution compared with larger beam sizes. Three high-resolution structures of human G protein-coupled receptors serve as evidence of the utility of these techniques that will likely be useful for future structural determination efforts. We anticipate that further innovations of the technologies applied to microcrystallography will enable the solving of structures of ever more challenging targets. C1 [Cherezov, Vadim; Hanson, Michael A.; Griffith, Mark T.; Stevens, Raymond C.] Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. [Kuhn, Peter] Scripps Res Inst, Dept Cell Biol, La Jolla, CA 92037 USA. [Hilgart, Mark C.; Sanishvili, Ruslan; Nagarajan, Venugopalan; Stepanov, Sergey; Fischetti, Robert F.] Argonne Natl Lab, Biosci Div, APS, GM CA CAT, Argonne, IL 60439 USA. RP Cherezov, V (reprint author), Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. EM vcherezo@scripps.edu RI Cherezov, Vadim/L-9812-2013 OI Cherezov, Vadim/0000-0002-5265-3914 FU NIH [P50 GM073197, GM075915]; Protein Structure Initiative [U54 GM074961]; NSF [IIS0308078]; Science Foundation Ireland [02-IN1-B266]; National Cancer Institute [Y1-CO-1020]; National Institute of General Medical Sciences [Y1-GM-1104] FX This work was supported in part by the NIH Roadmap Initiative grant P50 GM073197 and Protein Structure Initiative grant U54 GM074961. The authors acknowledge D. Rosenbaum and B. Kobilka from Stanford University for providing initial beta2AR-T4L samples, crystals of which were used to develop some of the approaches described in this paper, as well as Y. Zheng, Ohio State University, and M. Caffrey, University of Limerick, for the generous loan of the in meso robot (built with support from the NIH (GM075915), the NSF (IIS0308078) and Science Foundation Ireland (02-IN1-B266)). The GM/CA CAT beamline (23-ID) is supported by the National Cancer Institute (Y1-CO-1020) and the National Institute of General Medical Sciences (Y1-GM-1104). NR 48 TC 77 Z9 79 U1 1 U2 3 PU ROYAL SOC PI LONDON PA 6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND SN 1742-5689 J9 J R SOC INTERFACE JI J. R. Soc. Interface PD OCT 6 PY 2009 VL 6 BP S587 EP S597 DI 10.1098/rsif.2009.0142.focus PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 494PQ UT WOS:000269826500004 PM 19535414 ER PT J AU Benhassine, M Saiz, E Tomsia, AP De Coninck, J AF Benhassine, M. Saiz, E. Tomsia, A. P. De Coninck, J. TI Nonreactive Spreading at High-Temperature Revisited for Metal Systems via Molecular Dynamics SO LANGMUIR LA English DT Article ID EMBEDDED-ATOM-METHOD; ATOMISTIC SIMULATIONS; CONTACT-ANGLE; INTERFACE; AG; CU; SURFACES; LIQUIDS; FILMS AB The spreading for Cu and Ag droplets oil top of a rigid solid surface modeling Mo is herewith considered via molecular dynamics. The dynamics of the base radius and the contact angle are recorded and fitted using the molecular-kinetic theory. A method is described to determine for liquid metals at the microscopic level the parameters appearing in this theory. These microscopic parameters are calculated directly in the simulations and compared to the Fitted values. The agreement between the fitted values and the calculated ones shows that the dissipation of energy within the drop is caused primarily by the friction of liquid atoms over the substrate. This validation supports the understanding of the mechanisms controlling the spreading of liquid metals which, up to now, were based on experimental data and fitting procedures. C1 [Benhassine, M.; De Coninck, J.] Univ Mons, Ctr Res Mol Modelling, B-7000 Mons, Belgium. [Saiz, E.; Tomsia, A. P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. RP De Coninck, J (reprint author), Univ Mons, Ctr Res Mol Modelling, Parc Initialis,Av Copernic 1, B-7000 Mons, Belgium. EM joel.de.coninck@crmm.umh.ac.be FU Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy [DE-AC02-05CH1123] FX M.B. is grateful to the F.N.R.S. of Belgium under the fonds pour la Formation la Recherche dans l'Industrie et dans l'Agriculture. We gratefully thank Prof. M. Hou of the ULB in Belgium and Dr. T. D. Blake for fruitful discussions on molecular modeling and wetting. This work was also supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy under Contract DE-AC02-05CH1123 NR 37 TC 13 Z9 13 U1 2 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD OCT 6 PY 2009 VL 25 IS 19 BP 11450 EP 11458 DI 10.1021/la902958k PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 498JV UT WOS:000270136900042 PM 19702248 ER PT J AU Provis, JL Rose, V Bernal, SA van Deventer, JSJ AF Provis, John L. Rose, Volker Bernal, Susan A. van Deventer, Jannie S. J. TI High-Resolution Nanoprobe X-ray Fluorescence Characterization of Heterogeneous Calcium and Heavy Metal Distributions in Alkali-Activated Fly Ash SO LANGMUIR LA English DT Article ID SURFACE PREDOMINANCE; AIRBORNE PARTICLES; POWER-STATIONS; BY-PRODUCTS; PART II; MICROSCOPY; GEOPOLYMERS; SPECIATION; CHROMIUM; WASTE AB The nanoscale distribution of elements within fly ash and the aluminosilicate gel products of its alkaline activation ("fly ash geopolymers") are analyzed by means of synchrotron X-ray fluorescence using a hard X-ray Nanoprobe instrument. The distribution of calcium within a hydroxide-activated (fly ash/KOH solution) geopolymer gel is seen to be highly heterogeneous, with these data providing for the first time direct evidence of the formation of discrete high-calcium particles within the binder structure of a geopolymer synthesized from a low-calcium (< 2 wt % as oxides) fly ash. The silicate-activated (fly ash/potassium silicate solution) sample, by contrast, shows a much more homogeneous geopolymer gel binder structure surrounding the unreacted fly ash particles. This has important implications for the understanding of calcium chemistry within aluminosilicate geopolymer gel phases. Additionally, chromium and iron are seen to be very closely correlated within the structures of both fly ash and the geopolymer product and remain within the regions of the geopolymer which can be identified as unreacted fly ash particles. Given that the potential for chromium release has been one of the queries surrounding the widespread utilization of construction Materials derived from fly ash, the observation that this element appears to be localized within the fly ash rather than dispersed throughout the gel binder indicates that it is unlikely to be released problematically into the environment. C1 [Provis, John L.; Bernal, Susan A.; van Deventer, Jannie S. J.] Univ Melbourne, Dept Chem & Biomol Engn, Melbourne, Vic 3010, Australia. [Rose, Volker] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Bernal, Susan A.] Univ Valle, Dept Mat Engn, Composite Mat Grp CENM, Cali, Colombia. RP Provis, JL (reprint author), Univ Melbourne, Dept Chem & Biomol Engn, Melbourne, Vic 3010, Australia. EM jprovis@unimelb.edu.au RI Rose, Volker/B-1103-2008; OI Rose, Volker/0000-0002-9027-1052; Bernal, Susan A/0000-0002-9647-3106; Provis, John/0000-0003-3372-8922 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Australian Research Council (ARC); Particulate Fluids Processing Centre; Colciencias; Walter Mangold Trust; Australian Synchrotron Research Program FX Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. This work was funded by the Australian Research Council (ARC), including partial funding from the Particulate Fluids Processing Centre, a Special Research Centre of the ARC, and through Discovery Project grants. The work of S.A.B. was supported by travelling scholarships from Colciencias and from the Walter Mangold Trust. Travel funding for J.L.P. was supplied by the Australian Synchrotron Research Program. We thank Dr. Jorg Maser, Dr, Robert Winarski, Dr. Martin Holt, and Ms. Claire White for assistance with experiments oil the Nanoprobe instrument. NR 49 TC 32 Z9 32 U1 2 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD OCT 6 PY 2009 VL 25 IS 19 BP 11897 EP 11904 DI 10.1021/la901560h PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 498JV UT WOS:000270136900101 PM 19788232 ER PT J AU Zhou, X Graziani, D Pines, A AF Zhou, Xin Graziani, Dominic Pines, Alexander TI Hyperpolarized xenon NMR and MRI signal amplification by gas extraction SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE remote detection; dissolved-phase xenon MRI; molecular imaging; phase transition ID LASER-POLARIZED XE-129; MAGNETIC-RESONANCE; REMOTE-DETECTION; NOBLE-GASES; FLOW SYSTEM; SPECTROSCOPY; BIOSENSOR; DIFFUSION; LUNGS; FIELD AB A method is reported for enhancing the sensitivity of NMR of dissolved xenon by detecting the signal after extraction to the gas phase. We demonstrate hyperpolarized xenon signal amplification by gas extraction (Hyper-SAGE) in both NMR spectra and magnetic resonance images with time-of-flight information. Hyper-SAGE takes advantage of a change in physical phase to increase the density of polarized gas in the detection coil. At equilibrium, the concentration of gas-phase xenon is approximate to 10 times higher than that of the dissolved-phase gas. After extraction the xenon density can be further increased by several orders of magnitude by compression and/or liquefaction. Additionally, being a remote detection technique, the Hyper-SAGE effect is further enhanced in situations where the sample of interest would occupy only a small proportion of the traditional NMR receiver. Coupled with targeted xenon biosensors, Hyper-SAGE offers another path to highly sensitive molecular imaging of specific cell markers by detection of exhaled xenon gas. C1 [Pines, Alexander] Univ Calif Berkeley, Div Mat Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Pines, A (reprint author), Univ Calif Berkeley, Div Mat Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM pines@berkeley.edu RI Zhou, Xin/D-9987-2016 OI Zhou, Xin/0000-0002-5580-7907 FU Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division; U. S. Department of Energy [DE-AC02-05CH11231] FX We thank Prof. David Wemmer and Dr. Vikram Bajaj for critical reading and helpful suggestions on the manuscript. This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the U. S. Department of Energy under Contract DE-AC02-05CH11231. NR 33 TC 31 Z9 34 U1 4 U2 21 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD OCT 6 PY 2009 VL 106 IS 40 BP 16903 EP 16906 DI 10.1073/pnas.0909147106 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 503MD UT WOS:000270537500005 PM 19805177 ER PT J AU Orjalo, AV Bhaumik, D Gengler, BK Scott, GK Campisi, J AF Orjalo, Arturo V. Bhaumik, Dipa Gengler, Bridget K. Scott, Gary K. Campisi, Judith TI Cell surface-bound IL-1 alpha is an upstream regulator of the senescence-associated IL-6/IL-8 cytokine network SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE aging; cancer; inflammation; invasion; IRAK1 ID HISTONE DEACETYLASE INHIBITORS; NF-KAPPA-B; ENDOTHELIAL-CELLS; ENDOGENOUS IL-1-ALPHA; TUMOR SUPPRESSION; HUMAN FIBROBLASTS; GENE-EXPRESSION; BREAST-CANCER; INTERLEUKIN-1; AUTOCRINE AB Inflammation underlies most age-related diseases, including cancer, but the etiology is poorly understood. One proposed factor is the presence of senescent cells, which increase with age. The senescence response arrests the proliferation of potentially oncogenic cells, and most senescent cells secrete high levels of proinflammatory cytokines and other proteins. The complex senescence-associated secretory phenotype is likely regulated at multiple levels, most of which are unknown. We show that cell surface-bound IL-1 alpha is essential for signaling the senescence-associated secretion of IL-6 and IL-8, 2 proinflammatory cytokines that also reinforce the senescence growth arrest. Senescent human fibroblasts expressed high levels of IL-1 alpha mRNA, intracellular protein, and cell surface-associated protein, but secreted very little protein. An IL-1 receptor (IL1R) antagonist, neutralizing IL-1 alpha antibodies, and IL-1 alpha depletion by RNA interference all markedly reduced senescence-associated IL-6/IL-8 secretion. Depletion of the key IL-1R signaling component IRAK1 also suppressed this secretion, and IL-1 alpha neutralizing antibodies prevented IRAK1 degradation, indicating engagement of the IL-1R signaling pathway. Furthermore, IL-1 alpha depletion reduced the DNA binding activity of NF-kappa B and C/EBP beta, which stimulate IL-6/IL-8 transcription. IL-1 alpha was a general regulator of senescence-associated IL-6/IL-8 secretion because IL-1 alpha blockade reduced IL-6/IL-8 secretion whether cells senesced owing to DNA damage, replicative exhaustion, oncogenic RAS, or chromatin relaxation. Furthermore, conditioned medium from IL-1 alpha-depleted senescent cells markedly reduced the IL-6/IL-8-dependent invasiveness of metastatic cancer cells, indicating that IL-1 alpha regulates the biological effects of these cytokines. Thus, cell surface IL-1 alpha is an essential cell-autonomous regulator of the senescence-associated IL-6/IL-8 cytokine network. C1 [Orjalo, Arturo V.; Bhaumik, Dipa; Gengler, Bridget K.; Scott, Gary K.; Campisi, Judith] Buck Inst Age Res, Novato, CA 94945 USA. [Campisi, Judith] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Campisi, J (reprint author), Buck Inst Age Res, 8001 Redwood Blvd, Novato, CA 94945 USA. EM jcampisi@buckinstitute.org FU National Institutes of Health [P01-AG025901, P30-AG025708, R37-AG09909, U54-CA12654, T32-AG000266]; Larry L. Hillblom Foundation FX We thank Drs. Pierre Desprez and Francis Rodier for valuable comments and critical reading of the manuscript. This work was supported by Grants P01-AG025901, P30-AG025708, R37-AG09909, U54-CA12654, and T32-AG000266 from the National Institutes of Health, and the Larry L. Hillblom Foundation. NR 47 TC 169 Z9 170 U1 0 U2 12 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD OCT 6 PY 2009 VL 106 IS 40 BP 17031 EP 17036 DI 10.1073/pnas.0905299106 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 503MD UT WOS:000270537500032 PM 19805069 ER PT J AU Sims, GE Jun, SR Wu, GA Kim, SH AF Sims, Gregory E. Jun, Se-Ran Wu, Guohong Albert Kim, Sung-Hou TI Whole-genome phylogeny of mammals: Evolutionary information in genic and nongenic regions SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE alignment-free genome comparison; feature frequency profile (FFP); mammalian phylogeny; noncoding DNA; nongenic regions of the genome ID PLACENTAL MAMMALS; SEQUENCES; RATES; TREES; SUBSTITUTIONS; INSERTIONS; ARTIFACTS; ALIGNMENT; ELEMENTS; INTRONS AB Ten complete mammalian genome sequences were compared by using the "feature frequency profile'' (FFP) method of alignment-free comparison. This comparison technique reveals that the whole nongenic portion of mammalian genomes contains evolutionary information that is similar to their genic counterparts-the intron and exon regions. We partitioned the complete genomes of mammals (such as human, chimp, horse, and mouse) into their constituent nongenic, intronic, and exonic components. Phylogenic species trees were constructed for each individual component class of genome sequence data as well as the whole genomes by using standard tree-building algorithms with FFP distances. The phylogenies of the whole genomes and each of the component classes (exonic, intronic, and nongenic regions) have similar topologies, within the optimal feature length range, and all agree well with the evolutionary phylogeny based on a recent large dataset, multispecies, and multigene-based alignment. In the strictest sense, the FFP-based trees are genome phylogenies, not species phylogenies. However, the species phylogeny is highly related to the whole-genome phylogeny. Furthermore, our results reveal that the footprints of evolutionary history are spread throughout the entire length of the whole genome of an organism and are not limited to genes, introns, or short, highly conserved, nongenic sequences that can be adversely affected by factors (such as a choice of sequences, homoplasy, and different mutation rates) resulting in inconsistent species phylogenies. C1 [Sims, Gregory E.; Jun, Se-Ran; Wu, Guohong Albert; Kim, Sung-Hou] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Kim, Sung-Hou] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Kim, SH (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM shkim@cchem.berkeley.edu FU National Institutes of Health [GM62412]; Korean Ministry of Science and Technology [R31-2008-000-10086-0] FX We are grateful to Drs. Kevin Rowe and Susan P. Holmes for their expert advice and discussion. This work was supported by National Institutes of Health Grant GM62412 and the Korean Ministry of Science and Technology (World Class University Project R31-2008-000-10086-0). NR 48 TC 32 Z9 33 U1 1 U2 15 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD OCT 6 PY 2009 VL 106 IS 40 BP 17077 EP 17082 DI 10.1073/pnas.0909377106 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 503MD UT WOS:000270537500040 PM 19805074 ER PT J AU Briegel, A Ortega, DR Tocheva, EI Wuichet, K Li, Z Chen, SY Muller, A Iancu, CV Murphy, GE Dobro, MJ Zhulin, IB Jensen, GJ AF Briegel, Ariane Ortega, Davi R. Tocheva, Elitza I. Wuichet, Kristin Li, Zhuo Chen, Songye Mueller, Axel Iancu, Cristina V. Murphy, Gavin E. Dobro, Megan J. Zhulin, Igor B. Jensen, Grant J. TI Universal architecture of bacterial chemoreceptor arrays SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE bacterial ultrastructure; chemotaxis; electron cryo-tomography ID CHEMOTAXIS RECEPTOR TSR; ESCHERICHIA-COLI; RHODOBACTER-SPHAEROIDES; CAULOBACTER-CRESCENTUS; DIRECT VISUALIZATION; SIGNALING PROTEINS; SENSITIVITY; DOMAIN; CELL; ADAPTATION AB Chemoreceptors are key components of the high-performance signal transduction system that controls bacterial chemotaxis. Chemoreceptors are typically localized in a cluster at the cell pole, where interactions among the receptors in the cluster are thought to contribute to the high sensitivity, wide dynamic range, and precise adaptation of the signaling system. Previous structural and genomic studies have produced conflicting models, however, for the arrangement of the chemoreceptors in the clusters. Using whole-cell electron cryo-tomography, here we show that chemoreceptors of different classes and in many different species representing several major bacterial phyla are all arranged into a highly conserved, 12-nm hexagonal array consistent with the proposed "trimer of dimers'' organization. The various observed lengths of the receptors confirm current models for the methylation, flexible bundle, signaling, and linker sub-domains in vivo. Our results suggest that the basic mechanism and function of receptor clustering is universal among bacterial species and was thus conserved during evolution. C1 [Briegel, Ariane; Tocheva, Elitza I.; Li, Zhuo; Chen, Songye; Iancu, Cristina V.; Murphy, Gavin E.; Dobro, Megan J.; Jensen, Grant J.] CALTECH, Div Biol, Pasadena, CA 91125 USA. [Mueller, Axel] CALTECH, Div Chem, Pasadena, CA 91125 USA. [Briegel, Ariane; Li, Zhuo; Jensen, Grant J.] CALTECH, Howard Hughes Med Inst, Pasadena, CA 91125 USA. [Ortega, Davi R.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. [Ortega, Davi R.; Wuichet, Kristin; Zhulin, Igor B.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [Zhulin, Igor B.] Oak Ridge Natl Lab, BioEnergy Ctr, Oak Ridge, TN 37831 USA. [Zhulin, Igor B.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Jensen, GJ (reprint author), CALTECH, Div Biol, Pasadena, CA 91125 USA. EM jensen@caltech.edu RI Zhulin, Igor/A-2308-2012; OI Zhulin, Igor/0000-0002-6708-5323; Dobro, Megan/0000-0002-6464-3932 FU National Institutes of Health [R01 AI067548, P50 GM082545, R01 GM72285]; Howard Hughes Medical Institute; Beckman Institute at Caltech; Agouron Institute FX The authors wish to thank Eric Matson, Reinhard Rachel, Kevin Bruhn, Gordon Cannon, Alan Barbour, Sarkis Mazmanian, Jeanette Beatty, Maria Sandkvist, Dianne Newman, and John S. Parkinson for bacterial strains; Howard Berg for the penicillin treatment protocol for E. coli; Jane H. Ding for computational support; Juergen Plitzko, Alasdair McDowall and Jian Shi for EM support; and Roger Alexander, Luke Ulrich, and Bhanu Rekapalli for assistance and helpful suggestions. The authors also thank Professor Wolfgang Baumeister (Max Planck Institute for Biochemistry, Martinsried, Germany) for the permission to include the data from T. maritima (which was collected in his laboratory and under his supervision) in this study. This work was supported in part by National Institutes of Health Grants R01 AI067548 and P50 GM082545 (to G.J.J.) and R01 GM72285 (to I.B.Z.), as well as the Howard Hughes Medical Institute, the Beckman Institute at Caltech, and gifts to Caltech from the Gordon and Betty Moore Foundation and Agouron Institute. NR 44 TC 151 Z9 153 U1 2 U2 12 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD OCT 6 PY 2009 VL 106 IS 40 BP 17181 EP 17186 DI 10.1073/pnas.0905181106 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 503MD UT WOS:000270537500058 PM 19805102 ER PT J AU Moore, JD Morrison, K Perkins, GK Schlagel, DL Lograsso, TA Gschneidner, KA Pecharsky, VK Cohen, LF AF Moore, James D. Morrison, Kelly Perkins, Garry K. Schlagel, Deborah L. Lograsso, Thomas A. Gschneidner, Karl A., Jr. Pecharsky, Vital K. Cohen, Lesley F. TI Metamagnetism Seeded by Nanostructural Features of Single-Crystalline Gd5Si2Ge2 SO ADVANCED MATERIALS LA English DT Article ID TEM ANALYSIS; TEMPERATURE; ALLOYS; IDENTIFICATION; GD-5(SI2GE2); ABSOLUTE; TB AB Gd5Si2Ge2 belongs to the class of materials known as metamagnets that show promise for application in room-temperature magnetic refrigeration using a phenomenon known as the magnetocaloric effect. Here we image the metamagnetic transition using a local scanning Hall probe and reveal how the microstructure controls the critical properties. C1 [Moore, James D.; Morrison, Kelly; Perkins, Garry K.; Cohen, Lesley F.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England. [Schlagel, Deborah L.; Lograsso, Thomas A.; Gschneidner, Karl A., Jr.; Pecharsky, Vital K.] Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. [Gschneidner, Karl A., Jr.; Pecharsky, Vital K.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Moore, JD (reprint author), Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Prince Consort Rd, London SW7 2AZ, England. EM james.moore@imperial.ac.uk RI morrison, kelly/G-5249-2013 OI morrison, kelly/0000-0001-5672-3310 FU Office of Basic Energy Sciences; Office of Science of the U.S. Department of Energy [DE-AC02-07CH11358]; Iowa State University of Science and Technology; EPSRC; European Commission; Leverhulme Trust FX Work at the Ames Laboratory is supported by the Office of Basic Energy Sciences, Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-07CH11358 with Iowa State University of Science and Technology. The work at Imperial College London is supported by the EPSRC, the European Commission and the Leverhulme Trust. NR 25 TC 28 Z9 28 U1 5 U2 30 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD OCT 5 PY 2009 VL 21 IS 37 BP 3780 EP 3783 DI 10.1002/adma.200900093 PG 4 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 509GB UT WOS:000271001900012 ER PT J AU Yang, H Wang, HY Yoon, J Wang, YQ Jain, M Feldmann, DM Dowden, PC MacManus-Driscoll, JL Jia, QX AF Yang, Hao Wang, Haiyan Yoon, Jongsik Wang, Yongqiang Jain, Menka Feldmann, David M. Dowden, Paul C. MacManus-Driscoll, Judith L. Jia, Quanxi TI Vertical Interface Effect on the Physical Properties of Self-Assembled Nanocomposite Epitaxial Films SO ADVANCED MATERIALS LA English DT Article ID THIN-FILMS; BATIO3-COFE2O4 NANOSTRUCTURES; LEAKAGE CURRENT; FERROELECTRICITY; MULTIFERROICS; ENHANCEMENT; BIFEO3 AB The vertical interface effect on the physical properties of epitaxial metal-oxide films is demonstrated. Self-assembled (BiFeO(3))(0.5):(Sm(2)O(3))(0.5) nanocomposite films are fabricated with three-dimensional heteroepitaxy having an ordered nanocolumnar structure on a large scale. The vertical interface effect on lattice parameters, dielectric properties, and leakage currents is investigated. C1 [Yang, Hao; Wang, Yongqiang; Jain, Menka; Feldmann, David M.; Dowden, Paul C.; Jia, Quanxi] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Wang, Haiyan; Yoon, Jongsik] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. [MacManus-Driscoll, Judith L.] Univ Cambridge, Dept Mat Sci & Met, Cambridge CB2 3QZ, England. RP Jia, QX (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM haoyang4301@yahoo.com; qxjia@lanl.gov RI Jia, Q. X./C-5194-2008; Wang, Haiyan/P-3550-2014; OI Wang, Haiyan/0000-0002-7397-1209; Jain, Menka/0000-0002-2264-6895 FU U.S. Department of Energy; LANL/LDRD program; Center for Integrated Nanotechnologies; National Science Foundation [DMR0709831] FX This work was supported by the U.S. Department of Energy through the LANL/LDRD program and the Center for Integrated Nanotechnologies. H. W. and J. Y. acknowledge financial support from National Science Foundation (DMR0709831). NR 24 TC 48 Z9 48 U1 5 U2 80 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD OCT 5 PY 2009 VL 21 IS 37 BP 3794 EP 3798 DI 10.1002/adma.200900781 PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 509GB UT WOS:000271001900015 ER PT J AU Bahng, MK Mukarakate, C Robichaud, DJ Nimlos, MR AF Bahng, Mi-Kyung Mukarakate, Calvin Robichaud, David J. Nimlos, Mark R. TI Current technologies for analysis of biomass thermochemical processing: A review SO ANALYTICA CHIMICA ACTA LA English DT Review DE Biomass; Thermochemical conversion; Pyrolysis; Gasification; Analytical technique; Biofuel ID PYROLYSIS-GAS CHROMATOGRAPHY; MASS-SPECTROMETRIC ANALYSIS; WATER-INSOLUBLE FRACTION; ENTRAINED FLOW REACTOR; VICTORIAN BROWN-COAL; PULSE SHOCK-TUBE; OF-THE-ART; ENHANCED MULTIPHOTON IONIZATION; NEAR-INFRARED SPECTROSCOPY; THERMAL PLASMA PYROLYSIS AB Pyrolysis and gasification are two of the more promising utilization methods for the conversion of biomass toward a clean fuel source. To truly understand and model these processes requires detailed knowledge ranging from structural information of raw biomass, elemental composition, gas-phase reaction kinetics and mechanisms, and product distributions (both desired and undesired). The various analytical methods of biomass pyrolysis/gasification processing are discussed, including reactor types, analytical tools, and recent examples in the areas of (a) compositional analysis, (b) structural analysis, (c) reaction mechanisms, and (d) kinetic Studies on biomass thermochemical processing. (C) 2009 Elsevier B.V. All rights reserved. C1 [Bahng, Mi-Kyung; Mukarakate, Calvin; Robichaud, David J.; Nimlos, Mark R.] Natl Bioenergy Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Bahng, MK (reprint author), Natl Bioenergy Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. EM mi-kyung.bahng@nrel.gov FU U.S. Department of Energy's Biomass Program [DE-AC36-99GO10337]; Laboratory Directed Research and Development Program at the NREL FX This work was supported by the U.S. Department of Energy's Biomass Program, under Contract No. DE-AC36-99GO10337 with the National Renewable Energy Laboratory (NREC) and by the Laboratory Directed Research and Development Program at the NREL. Authors thank Dr. Bryon Donohoe at NREL and Dr. HansHeinrich Carstensen at Colorado School of Mines for reviewing the manuscript and for their constructive comments. NR 245 TC 97 Z9 103 U1 6 U2 128 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0003-2670 J9 ANAL CHIM ACTA JI Anal. Chim. Acta PD OCT 5 PY 2009 VL 651 IS 2 BP 117 EP 138 DI 10.1016/j.aca.2009.08.016 PG 22 WC Chemistry, Analytical SC Chemistry GA 506AV UT WOS:000270745600001 PM 19782803 ER PT J AU Cuenya, BR Ono, LK Croy, JR Naitabdi, A Heinrich, H Zhao, J Alp, EE Sturhahn, W Keune, W AF Cuenya, B. Roldan Ono, L. K. Croy, J. R. Naitabdi, A. Heinrich, H. Zhao, J. Alp, E. E. Sturhahn, W. Keune, W. TI Structure and phonon density of states of supported size-selected (FeAu)-Fe-57 nanoclusters: A nuclear resonant inelastic x-ray scattering study SO APPLIED PHYSICS LETTERS LA English DT Article ID SYNCHROTRON-RADIATION; AU; NANOPARTICLES; CATALYSTS; DYNAMICS AB We have measured the phonon density of states (PDOS) of isolated bcc and fcc FexAu1-x alloy nanoclusters (NCs) by nuclear resonant inelastic x-ray scattering. Drastic deviations were observed with respect to the PDOS of bulk Fe-Au alloys. Important information on the structure and thermodynamic properties of these NCs was obtained. (C) 2009 American Institute of Physics. [doi:10.1063/1.3236539] C1 [Cuenya, B. Roldan; Ono, L. K.; Croy, J. R.; Naitabdi, A.; Heinrich, H.] Univ Cent Florida, Dept Phys, Orlando, FL 32816 USA. [Heinrich, H.] Univ Cent Florida, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. [Zhao, J.; Alp, E. E.; Sturhahn, W.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Keune, W.] Max Planck Inst Mikrostrukturphys, D-06120 Halle, Germany. RP Cuenya, BR (reprint author), Univ Cent Florida, Dept Phys, Orlando, FL 32816 USA. EM roldan@physics.ucf.edu RI Naitabdi, Ahmed/F-5758-2014; Roldan Cuenya, Beatriz/L-1874-2016 OI Naitabdi, Ahmed/0000-0002-1307-5584; Roldan Cuenya, Beatriz/0000-0002-8025-307X FU NSF [CAREER-DMR-0448491, DMR-0906562]; U. S. DOE [DEAC02-06CH11357] FX Funding from NSF (Grant Nos. CAREER-DMR-0448491 and DMR-0906562) and U. S. DOE (Grant No. DEAC02-06CH11357) is greatly appreciated. NR 21 TC 17 Z9 17 U1 0 U2 16 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 5 PY 2009 VL 95 IS 14 AR 143103 DI 10.1063/1.3236539 PG 3 WC Physics, Applied SC Physics GA 505DW UT WOS:000270670200062 ER PT J AU Jun, SH Shim, JH Oh, SK Yu, SC Kim, DH Mesler, B Fischer, P AF Jun, Su-Hyeong Shim, Je-Ho Oh, Suhk-Kun Yu, Seong-Cho Kim, Dong-Hyun Mesler, Brooke Fischer, Peter TI Nonlinear motion of coupled magnetic vortices in ferromagnetic/nonmagnetic/ferromagnetic trilayer SO APPLIED PHYSICS LETTERS LA English DT Article AB We have investigated a coupled motion of two parallel vortex cores in ferromagnetic/nonmagnetic/ferromagnetic trilayer cylinders by means of micromagnetic simulation. Dynamic motion of two vortices with parallel and antiparallel relative chiralities of curling spins around the vortex cores have been examined after excitation by 1 ns pulsed external field, revealing a nontrivial coupled vortices motion. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3243985] C1 [Jun, Su-Hyeong; Shim, Je-Ho; Oh, Suhk-Kun; Yu, Seong-Cho; Kim, Dong-Hyun] Chungbuk Natl Univ, Dept Phys, Cheongju 361763, South Korea. [Mesler, Brooke; Fischer, Peter] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Mesler, Brooke] Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA. RP Kim, DH (reprint author), Chungbuk Natl Univ, Dept Phys, Cheongju 361763, South Korea. EM donghyun@cbnu.ac.kr RI Fischer, Peter/A-3020-2010; Kim, Dong-Hyun/F-7195-2012; MSD, Nanomag/F-6438-2012 OI Fischer, Peter/0000-0002-9824-9343; FU Korea Research Foundation; Korean Government [KRF-2007-331-C00097]; NSF Extreme Ultraviolet Engineering Research Center; Director, Office of Science; Office of Basic Energy Sciences; Materials Sciences and Engineering Division; U. S. Department of Energy FX This work was supported by the Korea Research Foundation Grant funded by the Korean Government (Grant No. KRF-2007-331-C00097). B. M. acknowledges financial support from the NSF Extreme Ultraviolet Engineering Research Center. P. F. acknowledges financial support by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U. S. Department of Energy. NR 11 TC 16 Z9 16 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 5 PY 2009 VL 95 IS 14 AR 142509 DI 10.1063/1.3243985 PG 3 WC Physics, Applied SC Physics GA 505DW UT WOS:000270670200048 ER PT J AU Kalinin, SV Rodriguez, BJ Jesse, S Morozovska, AN Bokov, AA Ye, ZG AF Kalinin, S. V. Rodriguez, B. J. Jesse, S. Morozovska, A. N. Bokov, A. A. Ye, Z. -G. TI Spatial distribution of relaxation behavior on the surface of a ferroelectric relaxor in the ergodic phase SO APPLIED PHYSICS LETTERS LA English DT Article ID LEAD MAGNESIUM NIOBATE; TRENDS AB Spatial homogeneity of polarization relaxation behavior on the surface of 0.9Pb(Mg1/3Nb2/3)O-3-0.1PbTiO(3) crystals in the ergodic relaxor phase is studied using three-dimensional time-resolved spectroscopic piezoresponse force microscopy. The number of statistically independent components in the spectroscopic image is determined using principal component analysis. In the studied measurement time interval, the spectra generally exhibit logarithmic behavior with spatially varying slope and offset, and the statistical distribution of these parameters are studied. The data illustrate the presence of mesoscopic heterogeneity in the dynamics of the relaxation behavior that can be interpreted as spatial variation in local Vogel-Fulcher temperatures. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3242011] C1 [Kalinin, S. V.; Jesse, S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Rodriguez, B. J.] Univ Coll Dublin, Dublin 4, Ireland. [Morozovska, A. N.] Natl Acad Sci Ukraine, V Lashkaryov Inst Semicond Phys, UA-03028 Kiev, Ukraine. [Bokov, A. A.; Ye, Z. -G.] Simon Fraser Univ, Dept Chem, Burnaby, BC V5A 1A6, Canada. [Bokov, A. A.; Ye, Z. -G.] Simon Fraser Univ, 4D LABS, Burnaby, BC V5A 1A6, Canada. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Bokov, Alexei/C-6924-2008; Kalinin, Sergei/I-9096-2012; Rodriguez, Brian/A-6253-2009; Jesse, Stephen/D-3975-2016 OI Bokov, Alexei/0000-0003-1126-3378; Kalinin, Sergei/0000-0001-5354-6152; Rodriguez, Brian/0000-0001-9419-2717; Jesse, Stephen/0000-0002-1168-8483 FU Center for Nanoscale Materials Sciences; Oak Ridge National Laboratory; Division of Scientific User Facilities; Office of Basic Energy Sciences; U. S. Department of Energy; CNMS User Program [CNMS2007-085]; Office of Naval Research [N00014-06-1-0166] FX The research is supported by the Center for Nanoscale Materials Sciences (S. V. K., B. J. R., and S. J.) at the Oak Ridge National Laboratory, Division of Scientific User Facilities, Office of Basic Energy Sciences, U. S. Department of Energy and was a part of the CNMS User Program (Grant No. CNMS2007-085). This work is also supported (A. A. B. and Z. G. Y.) by the Office of Naval Research (Grant No. N00014-06-1-0166). B. J. R. also acknowledges the support of UCD Research. NR 20 TC 25 Z9 25 U1 2 U2 22 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 5 PY 2009 VL 95 IS 14 AR 142902 DI 10.1063/1.3242011 PG 3 WC Physics, Applied SC Physics GA 505DW UT WOS:000270670200050 ER PT J AU Kumar, S Chan, CWI Hu, Q Reno, JL AF Kumar, Sushil Chan, Chun Wang I. Hu, Qing Reno, John L. TI Two-well terahertz quantum-cascade laser with direct intrawell-phonon depopulation SO APPLIED PHYSICS LETTERS LA English DT Article ID SEMICONDUCTOR AB We report the simplest quantum-cascade laser (QCL) to-date with only two quantum wells per QCL period, and at low temperatures, only three subband levels participate in electron transport. The lower laser level is directly depopulated via intrawell longitudinal-optical phonon scattering, which is in contrast with all the previously demonstrated terahertz QCLs, and maintains an ultrashort lower level lifetime under all operating bias and temperatures. Optical gain is due to a diagonal photon-assisted tunneling transition. Laser operation at 4.6 THz is obtained up to a heat-sink temperature of 121 K with a low-temperature threshold current density of 350 A/cm(2). Due to the simplicity of a two-well design, its electrical transport behavior could be analyzed in greater detail. A thermally activated carrier leakage due to higher-energy parasitic levels is speculated to be the most likely cause of a steep rise in the lasing threshold current density with temperature. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3243459] C1 [Kumar, Sushil; Chan, Chun Wang I.; Hu, Qing] MIT, Dept Elect Engn & Comp Sci, Elect Res Lab, Cambridge, MA 02139 USA. [Reno, John L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Kumar, S (reprint author), MIT, Dept Elect Engn & Comp Sci, Elect Res Lab, Cambridge, MA 02139 USA. EM sushil@mit.edu FU AFOSR; NASA; NSF; Sandia Corporation; U.S. Department of Energy [DE-AC04-94AL85000] FX This work is supported by AFOSR, NASA, and NSF. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the U.S. Department of Energy under Contract No. DE-AC04-94AL85000. NR 19 TC 41 Z9 43 U1 1 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 5 PY 2009 VL 95 IS 14 AR 141110 DI 10.1063/1.3243459 PG 3 WC Physics, Applied SC Physics GA 505DW UT WOS:000270670200010 ER PT J AU LeBeau, JM Engel-Herbert, R Jalan, B Cagnon, J Moetakef, P Stemmer, S Stephenson, GB AF LeBeau, James M. Engel-Herbert, Roman Jalan, Bharat Cagnon, Joel Moetakef, Pouya Stemmer, Susanne Stephenson, G. Brian TI Stoichiometry optimization of homoepitaxial oxide thin films using x-ray diffraction SO APPLIED PHYSICS LETTERS LA English DT Article ID MOLECULAR-BEAM EPITAXY; SRTIO3 FILMS; GROWTH; SURFACE AB Homoepitaxial SrTiO(3) thin films grown by molecular beam epitaxy are analyzed using high-resolution x-ray diffraction and transmission electron microscopy. Measured 00L x-ray scans from stoichiometric and nonstoichiometric films are compared with calculations that account for the effects of film thickness, lattice parameter, fractional site occupancy, and an offset between film and substrate at the interface. It is found that thickness fringes, commonly observed around Bragg reflections even in stoichiometric homoepitaxial SrTiO(3) films, arise from a film/substrate interface offset. Transmission electron microscopy studies confirm the presence of strain at those homoepitaxial interfaces that show an offset in x-ray diffraction. The consequences for stoichiometry optimization of homoepitaxial films using high-resolution x-ray diffraction and the quality of regrown oxide interfaces are discussed. (C) 2009 American Institute of Physics. (doi: 10.1063/1.3243696) C1 [LeBeau, James M.; Engel-Herbert, Roman; Jalan, Bharat; Cagnon, Joel; Moetakef, Pouya; Stemmer, Susanne] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Stephenson, G. Brian] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Stephenson, G. Brian] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP LeBeau, JM (reprint author), Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. EM lebeau@mrl.ucsb.edu; stemmer@mrl.ucsb.edu RI Stemmer, Susanne/H-6555-2011; Moetakef, Pouya/F-6353-2012; LeBeau, James/B-6370-2008; Jalan, Bharat/H-9448-2015 OI Stemmer, Susanne/0000-0002-3142-4696; Moetakef, Pouya/0000-0003-0642-4704; FU Department of Energy [DE-FG02-06ER45994]; GAANN program [P200A07044]; U. S. Department of Energy [DE-AC02-06CH11357]; National Science Foundation [DMR 0520415] FX The authors thank Jim Speck for many helpful discussions and ideas. The research at UCSB was supported by the Department of Energy (Grant No. DE-FG02-06ER45994). J. M. L. also thanks the U. S. Department of Education for a fellowship under the GAANN program (Grant No. P200A07044). G. B. S. is supported by the U. S. Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. The work made use of the UCSB MRL Central facilities supported by the MRSEC Program of the National Science Foundation under Award No. DMR 0520415. NR 17 TC 19 Z9 19 U1 0 U2 17 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 5 PY 2009 VL 95 IS 14 AR 142905 DI 10.1063/1.3243696 PG 3 WC Physics, Applied SC Physics GA 505DW UT WOS:000270670200053 ER PT J AU Lin, TY Bae, JU Bohra, G Lim, K Reno, JL Bird, JP AF Lin, T. -Y. Bae, J. -U. Bohra, G. Lim, K. Reno, J. L. Bird, J. P. TI Influence of quantum-interference on the fringing-field magnetoresistance of hybrid ferromagnetic/semiconductor devices SO APPLIED PHYSICS LETTERS LA English DT Article ID 2-DIMENSIONAL ELECTRON-GAS; MAGNETIC BARRIER; BALLISTIC REGIME; TRANSPORT AB We investigate magnetotransport in hybrid ferromagnetic devices, comprised of laterally confined semiconductor channels that are bridged by nanomagnets that generate magnetic barriers. We identify a regime of low-temperature behavior in these devices, in which the magnetoresistance generated by the nanomagnets is suppressed with decrease of temperature. This result is shown to be correlated with the onset of quantum-interference effects (weak localization) in the semiconductor channel. (C) 2009 American Institute of Physics. [doi:10.1063/1.3236775] C1 [Lin, T. -Y.; Bae, J. -U.; Bohra, G.; Lim, K.; Bird, J. P.] SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14216 USA. [Reno, J. L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Lin, TY (reprint author), SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14216 USA. EM jbird@buffalo.edu RI Bird, Jonathan/G-4068-2010 OI Bird, Jonathan/0000-0002-6966-9007 FU U. S. Department of Energy [DE-FG02-04ER46180, DEAC04-94AL85000] FX Work supported by the Department of Energy (Grant No. DE-FG02-04ER46180) and performed, in part, at the Center for Integrated Nanotechnologies, a U. S. DOE, Office of Basic Energy Sciences Nanoscale Science Research Center. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Co., for the U. S. Department of Energy under Contract No. DEAC04-94AL85000. NR 27 TC 4 Z9 4 U1 1 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 5 PY 2009 VL 95 IS 14 AR 143113 DI 10.1063/1.3236775 PG 3 WC Physics, Applied SC Physics GA 505DW UT WOS:000270670200072 ER PT J AU Qiu, S Krishnan, VB Padula, SA Noebe, RD Brown, DW Clausen, B Vaidyanathan, R AF Qiu, S. Krishnan, V. B. Padula, S. A., II Noebe, R. D. Brown, D. W. Clausen, B. Vaidyanathan, R. TI Measurement of the lattice plane strain and phase fraction evolution during heating and cooling in shape memory NiTi SO APPLIED PHYSICS LETTERS LA English DT Article ID NEUTRON-DIFFRACTION; SUPERELASTIC NITI; TIC COMPOSITES; REFINEMENT; TEXTURE; SPECTRA AB We report on in situ neutron diffraction measurements during heating and cooling through the phase transformation in shape memory NiTi. The lattice plane specific strain evolution remains linear with temperature and is not influenced by intergranular stresses, enabling the determination of the thermal expansion tensor of B19' NiTi. The neutron measurements are consistent with macroscopic dilatometric measurements and a 30 000 grain polycrystalline self-consistent model. The accommodative nature of B19' NiTi results in macroscopic shape changes being offset (with temperature) from the start and finish of the transformation. The texture does not evolve in the absence of biasing stresses. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3245308] C1 [Qiu, S.; Krishnan, V. B.; Vaidyanathan, R.] Univ Cent Florida, AMPAC, Orlando, FL 32816 USA. [Qiu, S.; Krishnan, V. B.; Vaidyanathan, R.] Univ Cent Florida, Mech Mat & Aerosp Engn Dept, Orlando, FL 32816 USA. [Padula, S. A., II; Noebe, R. D.] NASA, Glenn Res Ctr, Mat & Struct Div, Cleveland, OH 44135 USA. [Brown, D. W.; Clausen, B.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Qiu, S (reprint author), Univ Cent Florida, AMPAC, Orlando, FL 32816 USA. EM raj@mail.ucf.edu RI Clausen, Bjorn/B-3618-2015 OI Clausen, Bjorn/0000-0003-3906-846X FU NASA Fundamental Aeronautics Program; Supersonics Project [NNX08AB51A]; NSF [DMR-0239512]; Office of Basic Energy Sciences (DOE) FX S. Q., V. B. K., and R. V. acknowledge funding from the NASA Fundamental Aeronautics Program, Supersonics Project (Grant No. NNX08AB51A) and NSF (Grant No. CAREER DMR-0239512). The authors thank T. Sisneros, S. Kabra, J. Wall, and C. Aydiner at LANL for technical support. This work has benefited from the use of the Lujan Neutron Scattering Center at LANSCE, which is funded by the Office of Basic Energy Sciences (DOE). LANL is operated by Los Alamos National Security LLC under DOE under Contract No. DE-AC52-06NA25396. NR 23 TC 23 Z9 23 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 5 PY 2009 VL 95 IS 14 AR 141906 DI 10.1063/1.3245308 PG 3 WC Physics, Applied SC Physics GA 505DW UT WOS:000270670200022 ER PT J AU Hill, KK Xie, G Foley, BT Smith, TJ Munk, AC Bruce, D Smith, LA Brettin, TS Detter, JC AF Hill, Karen K. Xie, Gary Foley, Brian T. Smith, Theresa J. Munk, Amy C. Bruce, David Smith, Leonard A. Brettin, Thomas S. Detter, John C. TI Recombination and insertion events involving the botulinum neurotoxin complex genes in Clostridium botulinum types A, B, E and F and Clostridium butyricum type E strains SO BMC BIOLOGY LA English DT Article ID SEROTYPE-A SUBTYPES; GENOME SEQUENCE; EVOLUTION; DATABASE; CLUSTERS; INTERRELATIONSHIPS; IDENTIFICATION; COMPONENT; ORGANISMS; PROTEINS AB Background: Clostridium botulinum is a taxonomic designation for at least four diverse species that are defined by the expression of one (monovalent) or two (bivalent) of seven different C. botulinum neurotoxins (BoNTs, A-G). The four species have been classified as C. botulinum Groups I-IV. The presence of bont genes in strains representing the different Groups is probably the result of horizontal transfer of the toxin operons between the species. Results: Chromosome and plasmid sequences of several C. botulinum strains representing A, B, E and F serotypes and a C. butyricum type E strain were compared to examine their genomic organization, or synteny, and the location of the botulinum toxin complex genes. These comparisons identified synteny among proteolytic (Group I) strains or nonproteolytic (Group II) strains but not between the two Groups. The bont complex genes within the strains examined were not randomly located but found within three regions of the chromosome or in two specific sites within plasmids. A comparison of sequences from a Bf strain revealed homology to the plasmid pCLJ with similar locations for the bont/bv b genes but with the bont/a4 gene replaced by the bont/f gene. An analysis of the toxin cluster genes showed that many recombination events have occurred, including several events within the ntnh gene. One such recombination event resulted in the integration of the bont/a1 gene into the serotype toxin B ha cluster, resulting in a successful lineage commonly associated with food borne botulism outbreaks. In C. botulinum type E and C. butyricum type E strains the location of the bont/e gene cluster appears to be the result of insertion events that split a rarA, recombination-associated gene, independently at the same location in both species. Conclusion: The analysis of the genomic sequences representing different strains reveals the presence of insertion sequence (IS) elements and other transposon-associated proteins such as recombinases that could facilitate the horizontal transfer of the bonts; these events, in addition to recombination among the toxin complex genes, have led to the lineages observed today within the neurotoxin-producing clostridia. C1 [Hill, Karen K.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Xie, Gary; Munk, Amy C.; Bruce, David; Brettin, Thomas S.; Detter, John C.] Los Alamos Natl Lab, DOE Joint Genome Inst, Los Alamos, NM 87545 USA. [Foley, Brian T.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Smith, Theresa J.; Smith, Leonard A.] USA, Med Inst Infect Dis USAMRIID, Integrated Toxicol Div, Ft Detrick, MD 21702 USA. RP Hill, KK (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663, Los Alamos, NM 87545 USA. EM khill@lanl.gov; xie@lanl.gov; btf@lanl.gov; theresa.j.smith@us.army.mil; cmunk@lanl.gov; dbruce@lanl.gov; Leonard.a.Smith1@us.army.mil; brettints@ornl.gov; cdetter@lanl.gov OI Foley, Brian/0000-0002-1086-0296; xie, gary/0000-0002-9176-924X FU Department of Homeland Security Science and Technology Directorate [HSHQDC-08-C00158]; DOE Joint Genome Institute at Los Alamos National Laboratory; NIAID [U01 AI056493] FX This work was funded in part by the Department of Homeland Security Science and Technology Directorate under contract number HSHQDC-08-C00158. The DOE Joint Genome Institute at Los Alamos National Laboratory acknowledges the support of the Intelligence Technology Innovation Center for this research. This work was partially supported by NIAID cooperative agreement U01 AI056493. NR 47 TC 71 Z9 71 U1 1 U2 18 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1741-7007 J9 BMC BIOL JI BMC Biol. PD OCT 5 PY 2009 VL 7 AR 66 DI 10.1186/1741-7007-7-66 PG 18 WC Biology SC Life Sciences & Biomedicine - Other Topics GA 510CN UT WOS:000271065700001 PM 19804621 ER PT J AU Sierka, M Dobler, J Sauer, J Zhai, HJ Wang, LS AF Sierka, Marek Doebler, Jens Sauer, Joachim Zhai, Hua-Jin Wang, Lai-Sheng TI The [(Al2O3)(2)](-) Anion Cluster: Electron Localization-Delocalization Isomerism SO CHEMPHYSCHEM LA English DT Article DE aluminum oxide clusters; density functional calculations; genetic algorithm; isomers; photoelectron spectroscopy ID ALUMINUM-OXIDE CLUSTERS; AL3ON-N=1-3 CLUSTERS; GAS-PHASE; PHOTOELECTRON-SPECTROSCOPY; METAL-CLUSTERS; SPECTRA; IONS; DENSITY; PHOTOISOMERIZATION; APPROXIMATION C1 [Sierka, Marek; Doebler, Jens; Sauer, Joachim] Humboldt Univ, Inst Chem, D-10099 Berlin, Germany. [Zhai, Hua-Jin; Wang, Lai-Sheng] Washington State Univ, Dept Phys, Richland, WA 99354 USA. [Zhai, Hua-Jin; Wang, Lai-Sheng] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Sierka, M (reprint author), Humboldt Univ, Inst Chem, Unter Linden 6, D-10099 Berlin, Germany. EM marek.sierka@chemie.hu-berlin.de; ls.wang@pnl.gov RI Sierka, Marek/F-7614-2010; Sauer, Joachim/B-7020-2016 OI Sauer, Joachim/0000-0001-6798-6212 FU Fonds der Chernischen Industrie; Deutsche Forschungsgemeinschaft [546]; Chemical Sciences, Geosciences and Biosciences Division; Office of Basic Energy Sciences; U.S. Department of Energy (DOE) FX The theoretical work done at Berlin was supported by the Fonds der Chernischen Industrie and the Deutsche Forschungsgemeinschaft (Center of Excellence UNICAT and Sonderforschungsbereich 546). The experimental work done at Richland was supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, U.S. Department of Energy (DOE) under the catalysis center program and was performed at the EMSL, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest Notional Laboratory, operated for DOE by Battelle. NR 57 TC 22 Z9 22 U1 2 U2 19 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1439-4235 EI 1439-7641 J9 CHEMPHYSCHEM JI ChemPhysChem PD OCT 5 PY 2009 VL 10 IS 14 BP 2410 EP 2413 DI 10.1002/cphc.200900460 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 507OV UT WOS:000270864900008 PM 19618425 ER PT J AU Koo, HJ Xiang, HJ Lee, C Whangbo, MH AF Koo, Hyun-Joo Xiang, Hongjun Lee, Changhoon Whangbo, Myung-Hwan TI Effect of Magnetic Dipole-Dipole Interactions on the Spin Orientation and Magnetic Ordering of the Spin-Ladder Compound Sr3Fe2O5 SO INORGANIC CHEMISTRY LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; EXCHANGE INTERACTIONS; METALS; OXIDE AB First-principles density functional theory calculations show that the spin-lattice of Sr3Fe2O5 is practically 2D in terms of its spin-exchange interactions. The magnetic dipole-dipole interactions are found to be essential for the 3D magnetic ordering of Sr3Fe2O5 at a very low temperature. C1 [Koo, Hyun-Joo] Kyung Hee Univ, Dept Chem, Seoul 130701, South Korea. [Koo, Hyun-Joo] Kyung Hee Univ, Res Inst Basic Sci, Seoul 130701, South Korea. [Xiang, Hongjun] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Lee, Changhoon; Whangbo, Myung-Hwan] N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. RP Koo, HJ (reprint author), Kyung Hee Univ, Dept Chem, Seoul 130701, South Korea. EM hjkoo@khu.ac.kr; mike_whangbo@ncsu.edu RI Xiang, Hongjun/I-4305-2016 OI Xiang, Hongjun/0000-0002-9396-3214 FU U.S. Department of Energy [DE-FG0-286ER45259]; Korean Research Foundation [KRF-2007C00028] FX M.-H.W. thanks the U.S. Department of Energy for financial support (Grant DE-FG0-286ER45259) and computer resources at the NERSC Center and R. K. Kremer for invaluable discussion. H.-J.K. thanks the Korean Research Foundation (Grant KRF-2007C00028; MOEHRD, Basic Research Promotion Fund). NR 17 TC 26 Z9 26 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD OCT 5 PY 2009 VL 48 IS 19 BP 9051 EP 9053 DI 10.1021/ic9007526 PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 497VJ UT WOS:000270091000004 PM 19719142 ER PT J AU Boyle, TJ Pratt, HD Ottley, LAM Alam, TM McIntyre, SK Rodriguez, MA Farrell, J Campana, CF AF Boyle, Timothy J. Pratt, Harry D., III Ottley, Leigh Anna M. Alam, Todd M. McIntyre, Sarah K. Rodriguez, Mark A. Farrell, Joshua Campana, Charles F. TI Homo- and Heterometallic Complexes of Tetra-(Di-Substituted Hydroxybenzyl)-N,N '-Ethylenediamine Derivatives SO INORGANIC CHEMISTRY LA English DT Article ID X-RAY STRUCTURES; ALKALINE-EARTH METAL; NEO-PENTOXIDE PRECURSORS; THIN-FILMS; STRUCTURAL-CHARACTERIZATION; CRYSTAL-STRUCTURE; TITANIUM(IV) NEOPENTOXIDES; ALKOXIDE PRECURSORS; CERAMIC MATERIALS; NANOPARTICLES AB The coordination behavior of a series of group 4 metal alkoxides [M(OR)(4)] modified by a set of novel substituted hydroxybenzyl ethylene diamine (H(4)-ED-L(4)) ligands {[tetra(3,5-di-t-butyl-2-hydroxybenzyl)-N,N'-ethylenediamine] termed H(4)-ED-DBP(4) (1), [tetra(3,5-di-t-amyl-2-hydroxybenzyl)-N,N'-ethylenediamine] termed H(4)-ED-DAP(4) (1a), and [tetra(3',5-dichloro-2-hydroxybenzyl)-N,N'-ethylenediamine] termed H(4)-ED-DCP(4) (2)} was elucidated. The reaction of 1 or 1a with the M(OR)(4) precursor led to the isolation of the structural similar species M(ED-L(4)) where L = DBP, M=Ti (3), Zr (4), Hf (5); L = DAP, M = Zr (4a), Hf (5a). In contrast, the reaction of 2 with the M(OR)(4) precursors yielded Ti(ED-DCP(4)) (6). (py)(2)Zr(ED-DCP(4)) (7), and (HOBu(t))Hf(ED-DCP(4)) (8) where py = pyridine and HOBu(t) = HOC(CH(3))(3). For 3-6, the cations of the monomeric species were completely encapsulated by all available heteroatoms (four O and two N) of the ED-L(4) ligands, yielding an octahedral geometry for each metal center. For 7 and 8, an identical binding by the ED-DCP(4) ligand was observed with the additional coordination of Lewis basic adducts, forming 8- and 7-coordinated metal centers, respectively. Switching to +2 cations led to the isolation of [(THF)Ca](2)(ED-DBP(4)) (9a) where THF=tetrahydrofuran, {[(py)Ca](4)(ED-(mu-DBP-eta(6))(4))(2)}(n) (9b), and [(py)Zn](ED-DBP(4))[Zn(py)(2)] (10) center dot 5py and [(py)Sn](2)(ED-DBP(4)) (11). The structures of these species were significantly different in arrangement compared to the Group 4 derivatives. Further attempts to produce a mixed +4/+2 cationic species yielded [(py)(ONep)(2)Ti(ED-DBP(4))Zn(py)] (12). Reacting the single-source precursor CO[mu-OC(6)H(4)(CHMe(2))(2)center dot 2)(2)Li-(py)(2)](2) with 1, led to the isolation of (py)Li[Eb-DBP(3)(H-DBP)]Co (13), with one of the phenol protons remaining unreacted. The synthesis and characterization of these compounds are presented in detail. C1 [Boyle, Timothy J.; Pratt, Harry D., III; Ottley, Leigh Anna M.; Alam, Todd M.; McIntyre, Sarah K.; Rodriguez, Mark A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. [Farrell, Joshua] Coll Holy Cross, Dept Chem, Worcester, MA 01610 USA. [Campana, Charles F.] Bruker AXS Inc, Madison, WI 53711 USA. RP Boyle, TJ (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd SE, Albuquerque, NM 87106 USA. EM tiboyle@sandia.gov OI Campana, Charles/0000-0002-0495-0922 FU Research Corporation for a Cottrell College Science Award [CC6827]; U.S. Department of Energy, Office of Basic Energy Science, Division of Material Sciences and Engineering FX The authors would like to thank Ms. C. Higham, Mr. Niconchuk, and Ms. B. Bergeron (College of Holy Cross) and Ms. T. Doan (AIMS@UNM High School) for technical synthetic assistance, and UMass Amherst Mass Spectrometry Center for assistance with all high resolution MS data. For support of this research, the authors thank the Research Corporation for a Cottrell College Science Award (CC6827) and the U.S. Department of Energy, Office of Basic Energy Science, Division of Material Sciences and Engineering. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 54 TC 11 Z9 11 U1 2 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD OCT 5 PY 2009 VL 48 IS 19 BP 9191 EP 9204 DI 10.1021/ic900691a PG 14 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 497VJ UT WOS:000270091000025 PM 19746896 ER PT J AU D'Aleo, A Moore, EG Szigethy, G Xu, J Raymond, KN AF D'Aleo, Anthony Moore, Evan G. Szigethy, Geza Xu, Jide Raymond, Kenneth N. TI Aryl Bridged 1-Hydroxypyridin-2-one: Effect of the Bridge on the Eu(III) Sensitization 'Process SO INORGANIC CHEMISTRY LA English DT Article ID LUMINESCENT LANTHANIDE COMPLEXES; POLYMER WAVE-GUIDES; HIGHLY LUMINESCENT; AGENTS; STATES; IONS; EU3+; TEMPERATURE; AMPLIFIERS; ENERGY AB The efficiency of Eu(3+) luminescence by energy transfer from an antenna ligand can be strongly dependent on the metal ion coordination geometry. The geometric component of the Eu(III) sensitization has been probed using series of tetradentate 1,2-HOPO derivatives that are connected by bridges of varying length and geometry. The ligands are N, N'-(1,2-phenylene)bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide) for the ligand (L(1)), 1-hydroxy-N-(2-(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamido)benzyl)-6-oxo-1,6-dihydropyridine-2-carboxamide (L(2)) and N, N'-(1,2-phenylenebis(methylene))bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide) (L(3)). Spectroscopic characterization of both the Gd(III) and the Eu(III) metal complexes, time-dependent density functional theory (TD-DFT) analysis of model compounds and evaluation of the kinetic parameters for the europium emission were completed. Some striking differences were observed in the luminescence quantum yield by altering the bridging unit. The [Eu(L(2))(2)](-) derivative shows efficient sensitization coupled with good metal centered emission. For [Eu(L(3))(2)](-), the large quenching of the luminescence quantum yield compared to [Eu(L(2))(2)](-) is primarily a result of one inner sphere water molecule bound to the europium cation while for [Eu(L(1))(2)](-), the low luminescence quantum yield can be attributed to inefficient sensitization of the europium ion. C1 [Raymond, Kenneth N.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Raymond, KN (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM raymond@socrates.berkeley.edu FU NIH [HL69832]; U.S. Department of Energy [DE-AC02-05CH11231] FX This work was partially supported by the NIH (Grant HL69832) and supported by the Director, Office of Science, Office of Basic Energy Sciences, and the Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL under Contract No. DE-AC02-05CH11231. This technology is licensed to Lumiphore, Inc. in which some of the authors have a financial interest. NR 37 TC 10 Z9 10 U1 4 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD OCT 5 PY 2009 VL 48 IS 19 BP 9316 EP 9324 DI 10.1021/ic901161z PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 497VJ UT WOS:000270091000037 PM 19722546 ER PT J AU Vazquez, GJ Dodge, CJ Francis, AJ AF Vazquez, Gustavo J. Dodge, Cleveland J. Francis, Arokiasamy J. TI Bioreduction of U(VI)-Phthalate to a Polymeric U(IV)-Phthalate Colloid SO INORGANIC CHEMISTRY LA English DT Article ID URANYL COMPLEXES; URANIUM; ACID; REDUCTION; MIGRATION; HUMICS; MATTER AB Phthalic acid, a ubiquitous organic ligand, formed soluble mono- and biligand complexes with a uranyl ion that was then reduced to a U(IV)-phthalate by a Clostridium species under anaerobic conditions. We confirmed the reduction of the hexavalent uranium to the tetravalent oxidation state by UV-vis absorption and X-ray absorption near edge structure spectroscopy. Sequential micro- and ultrafiltration of the solution revealed that the bioreduced uranium was present as a colloid with particles between 0.03 and 0.45 mu m. Analysis with extended X-ray absorption fine structure revealed the association of the reduced uranium with the phthalic acid as a repeating biligand 1:2 U(IV):phthalic acid polymer. This is the first report of the formation of a U(IV) complexed to two phthalic acid molecules in the form of a polymeric colloid. Although it was proposed that the bioreduction and the precipitation of uranium might be an invaluable strategy to immobilize uranium in contaminated environments, our results suggest that the organic ligands present there might hinder the precipitation of the bioreduced uranium under anaerobic conditions and, thereby, enhance its environmental mobility as uranium organic complexes or colloids. C1 [Vazquez, Gustavo J.; Dodge, Cleveland J.; Francis, Arokiasamy J.] Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. RP Dodge, CJ (reprint author), Brookhaven Natl Lab, Dept Environm Sci, POB 5000, Upton, NY 11973 USA. EM dodge1@bnl.gov FU Environmental Remediation Sciences Program (ERSP); Climate and Environmental Sciences Division [DE-AC02-98CH 10886] FX This research was funded by the Environmental Remediation Sciences Program (ERSP), Climate and Environmental Sciences Division, Office of Biological and Environmental Research (OBER) Office of Science, and U.S. Department of Energy under contract no. DE-AC02-98CH 10886. The authors thank Avril Woodhead for editorial assistance. NR 25 TC 8 Z9 9 U1 1 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD OCT 5 PY 2009 VL 48 IS 19 BP 9485 EP 9490 DI 10.1021/ic900694k PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 497VJ UT WOS:000270091000055 PM 19780622 ER PT J AU Mukherjee, R McCaddon, A Smith, CA Brasch, NE AF Mukherjee, Riya McCaddon, Andrew Smith, Clyde A. Brasch, Nicola E. TI Synthesis, Synchrotron X-ray Diffraction, and Kinetic Studies on the Formation of a Novel Thiolatocobalamin of Captopril: Evidence for cis-trans Isomerization in the beta-Axial Ligand SO INORGANIC CHEMISTRY LA English DT Article ID ANGIOTENSIN-CONVERTING ENZYME; CO-S BOND; ACE-INHIBITORS; STRUCTURAL-CHARACTERIZATION; CRYSTAL-CHEMISTRY; THIYL RADICALS; VITAMIN B12; METAL-IONS; COBALAMINS; BINDING AB The orally administered therapeutic captopril is widely used for treating hypertension, congestive heart failure, and cardiovascular disease. However, a number of undesirable side effects are associated with high doses of captopril. By coordinating a therapeutic to the upper (= beta) axial site of the naturally occurring macrocycle cobalamin (vitamin B(12)), the absorption and cellular uptake of the therapeutic can be significantly enhanced. We report the synthesis of captopril-cobalamin, a derivative of vitamin B(12) in which captopril is bound via its thiol group at the beta-axial site of cobalamin. Characterization of captopril-cobalamin by (1)H NMR spectroscopy and X-ray diffraction shows that captopril-cobalamin exists in both solution and the solid state as a mixture of geometric isomers. Kinetic studies on the formation of captopril-cobalamin have been carded out, and the data fits a model in which the thiol form (RSH, k(1) = 40.9 +/- 1.2 M(-1) s(-1)) and the thiolate form of captopril (RS(-), k(2) = 660 +/- 170 M(-1) s(-1)) react rapidly with aquacobalamin. C1 [Mukherjee, Riya; Brasch, Nicola E.] Kent State Univ, Dept Chem, Kent, OH 44242 USA. [McCaddon, Andrew] Cardiff Univ, Cardiff Sch Med, Cardiff CF14 4XN, S Glam, Wales. [McCaddon, Andrew] Rhosllanerchrugog, Gardden Rd Surg, Wrexham LL14 2EN, Wales. [Smith, Clyde A.] Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. [Brasch, Nicola E.] Kent State Univ, Sch Biomed Sci, Kent, OH 44242 USA. RP Brasch, NE (reprint author), Kent State Univ, Dept Chem, Kent, OH 44242 USA. EM nbrasch@kent.edu FU Ohio Board of Regents FX We thank Dr. Scott D. Bunge, Department of Chemistry, Kent State University, for useful discussions and the Ohio Board of Regents for funding (to N.E.B.). NR 71 TC 12 Z9 13 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD OCT 5 PY 2009 VL 48 IS 19 BP 9526 EP 9534 DI 10.1021/ic900891y PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 497VJ UT WOS:000270091000060 PM 19780623 ER PT J AU Scandale, W Vomiero, A Bagli, E Baricordi, S Dalpiaz, P Fiorini, M Guidi, V Mazzolari, A Vincenzi, D Milan, R Della Mea, G Vallazza, E Afonin, AG Chesnokov, YA Maisheev, VA Yazynin, IA Golovatyuk, VM Kovalenko, AD Taratin, AM Denisov, AS Gavrikov, YA Ivanov, YM Lapina, LR Malyarenko, LG Skorobogatov, VV Suvorov, VM Vavilov, SA Bolognini, D Hasan, S Mattera, A Prest, M Shiraishi, S AF Scandale, W. Vomiero, A. Bagli, E. Baricordi, S. Dalpiaz, P. Fiorini, M. Guidi, V. Mazzolari, A. Vincenzi, D. Milan, R. Della Mea, Gianantonio Vallazza, E. Afonin, A. G. Chesnokov, Yu. A. Maisheev, V. A. Yazynin, I. A. Golovatyuk, V. M. Kovalenko, A. D. Taratin, A. M. Denisov, A. S. Gavrikov, Yu. A. Ivanov, Yu. M. Lapina, L. R. Malyarenko, L. G. Skorobogatov, V. V. Suvorov, V. M. Vavilov, S. A. Bolognini, D. Hasan, S. Mattera, A. Prest, M. Shiraishi, S. TI High-efficiency deflection of high-energy negative particles through axial channeling in a bent crystal SO PHYSICS LETTERS B LA English DT Article ID CHARGED-PARTICLES AB Deflection due to axial channeling in a silicon crystal bent along the < 111 > axis was observed for 150 GeV/c negative particles, mainly pi(-) mesons, at one of the secondary beams of the CERN SPS. The whole beam was deflected to one side with the efficiency of about 90% and with the peak position at the bend crystal angle alpha = 43 mu rad. The deflection occurs mainly due to doughnut scattering of above-barrier particles by the atomic strings of the crystal. However, due to a high probability of particle recapture into bound states with the atomic strings their contribution to the deflection should be about 15% for Our case according to simulation results. (C) 2009 Elsevier B.V. All rights reserved. C1 [Golovatyuk, V. M.; Kovalenko, A. D.; Taratin, A. M.] Joint Inst Nucl Res, Dubna 141980, Moscow Region, Russia. [Scandale, W.] European Org Nucl Res, CERN, CH-1211 Geneva 23, Switzerland. [Vomiero, A.] CNR, INFM, I-25133 Brescia, Italy. [Bagli, E.; Baricordi, S.; Dalpiaz, P.; Fiorini, M.; Guidi, V.; Mazzolari, A.; Vincenzi, D.] Univ Ferrara, Ist Nazl Fis Nucl, Sez Ferrara, Dipartimento Fis, I-44100 Ferrara, Italy. [Milan, R.] Lab Nazl Legnaro, Ist Nazl Fis Nucl, I-35020 Legnaro, PD, Italy. [Della Mea, Gianantonio] Univ Trent, Dipartimento Ingn Mat & Tecnol Ind, I-38050 Trento, Italy. [Vallazza, E.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Afonin, A. G.; Chesnokov, Yu. A.; Maisheev, V. A.; Yazynin, I. A.] Inst High Energy Phys, RU-142284 Protvino, Moscow Region, Russia. [Denisov, A. S.; Gavrikov, Yu. A.; Ivanov, Yu. M.; Lapina, L. R.; Malyarenko, L. G.; Skorobogatov, V. V.; Suvorov, V. M.; Vavilov, S. A.] Petersburg Nucl Phys Inst, Gatchina 188300, Leningrad Reg, Russia. [Bolognini, D.; Hasan, S.; Mattera, A.; Prest, M.] Univ Insubria, I-22100 Como, Italy. [Bolognini, D.; Hasan, S.; Mattera, A.; Prest, M.] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20126 Milan, Italy. [Shiraishi, S.] Fermi Natl Lab, Batavia, IL 60510 USA. RP Taratin, AM (reprint author), Joint Inst Nucl Res, Joliot Curie 6, Dubna 141980, Moscow Region, Russia. EM alexander.taratin@cern.ch RI Vomiero, Alberto/F-7567-2010; Bagli, Enrico/E-5906-2012; Vincenzi, Donato/J-5064-2012; Fiorini, Massimiliano/A-5354-2015; Mazzolari, Andrea/A-1100-2017; OI guidi, vincenzo/0000-0001-9726-8481; Vomiero, Alberto/0000-0003-2935-1165; Bagli, Enrico/0000-0003-3913-7701; Fiorini, Massimiliano/0000-0001-6559-2084; Mazzolari, Andrea/0000-0003-0804-6778; MILAN, Riccardo/0000-0001-5863-8654; PREST, MICHELA/0000-0003-3161-4454 NR 12 TC 16 Z9 16 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD OCT 5 PY 2009 VL 680 IS 4 BP 301 EP 304 DI 10.1016/j.physletb.2009.09.009 PG 4 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 513YM UT WOS:000271360100002 ER PT J AU Williams, RS Dodson, GE Limbo, O Yamada, Y Williams, JS Guenther, G Classen, S Glover, JNM Iwasaki, H Russell, P Tainer, JA AF Williams, R. Scott Dodson, Gerald E. Limbo, Oliver Yamada, Yoshiki Williams, Jessica S. Guenther, Grant Classen, Scott Glover, J. N. Mark Iwasaki, Hiroshi Russell, Paul Tainer, John A. TI Nbs1 Flexibly Tethers Ctp1 and Mre11-Rad50 to Coordinate DNA Double-Strand Break Processing and Repair SO CELL LA English DT Article ID PHOSPHOPEPTIDE RECOGNITION; SACCHAROMYCES-CEREVISIAE; STRUCTURAL BASIS; SCATTERING SAXS; DAMAGE-RESPONSE; ATM ACTIVATION; BRCT REPEATS; FHA DOMAIN; COMPLEX; MDC1 AB The Nijmegen breakage syndrome 1 (Nbs1) subunit of the Mre11-Rad50-Nbs1 (MRN) complex protects genome integrity by coordinating double-strand break (DSB) repair and checkpoint signaling through undefined interactions with ATM, MDC1, and Sae2/Ctp1/CtIP. Here, fission yeast and human Nbs1 structures defined by X-ray crystallography and small angle X-ray scattering (SAXS) reveal Nbs1 cardinal features: fused, extended, FHA-BRCT(1)-BRCT(2) domains flexibly linked to C-terminal Mre11- and ATM-binding motifs. Genetic, biochemical, and structural analyses of an Nbs1-Ctp1 complex show Nbs1 recruits phosphorylated Ctp1 to DSBs via binding of the Nbs1 FHA domain to a Ctp1 pThr- Asp motif. Nbs1 structures further identify an extensive FHA-BRCT interface, a bipartite MDC1-binding scaffold, an extended conformational switch, and the molecular consequences associated with cancer predisposing Nijmegen breakage syndrome mutations. Tethering of Ctp1 to a flexible Nbs1 arm suggests a mechanism for restricting DNA end processing and homologous recombination activities of Sae2/Ctp1/CtIP to the immediate vicinity of DSBs. C1 [Williams, R. Scott; Dodson, Gerald E.; Limbo, Oliver; Yamada, Yoshiki; Williams, Jessica S.; Guenther, Grant; Russell, Paul; Tainer, John A.] Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. [Dodson, Gerald E.; Limbo, Oliver; Yamada, Yoshiki; Williams, Jessica S.; Russell, Paul] Scripps Res Inst, Dept Cell Biol, La Jolla, CA 92037 USA. [Williams, R. Scott; Guenther, Grant; Tainer, John A.] Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. [Classen, Scott; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Mol Biol, Div Life Sci, Berkeley, CA 94720 USA. [Glover, J. N. Mark] Univ Alberta, Dept Biochem, Edmonton, AB T6G 2H7, Canada. [Iwasaki, Hiroshi] Yokohama City Univ, Int Grad Sch Arts & Sci, Div Mol & Cellular Biol, Kanagawa 2300045, Japan. RP Russell, P (reprint author), Scripps Res Inst, Dept Mol Biol, 10550 N Torrey Pines Rd,MB4, La Jolla, CA 92037 USA. EM prussell@scripps.edu; jat@scripps.edu RI Williams, Robert/A-6059-2015 FU Canadian Institutes of Health Research; Alberta Heritage Foundation for Medical Research; National Cancer Institute [CA117638, CA92584, CA77325]; SIBYLS beamline [BL12.3.1]; United States Department of Energy program Integrated Diffraction Analysis Technologies [DE-AC02-05CH11231]; Skaggs Institute for Chemical Biology FX Fellowship support was provided to R. S. W. (Canadian Institutes of Health Research, the Alberta Heritage Foundation for Medical Research, and the Skaggs Institute for Chemical Biology), G.E.D. (National Institutes of Health National Research Service Award), and Y.Y. (The Uehara Memorial Foundation). Work on Mre11 complex and Ctp1 in the authors' laboratories is supported by National Cancer Institute grants CA117638, CA92584, and CA77325. SIBYLS beamline (BL12.3.1) efforts at the Advanced Light Source of Lawrence Berkeley National Laboratory are supported by United States Department of Energy program Integrated Diffraction Analysis Technologies (for integrating crystallography and X-ray scattering) under contract number DE-AC02-05CH11231. We thank SIBYLS staff G. Hura and M. Hammel for expert SAXS data collection assistance, B. Chapados, C. Chahwan for discussions, and E. Getzoff and G. Williams for comments. NR 54 TC 166 Z9 169 U1 0 U2 11 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0092-8674 J9 CELL JI Cell PD OCT 2 PY 2009 VL 139 IS 1 BP 87 EP 99 DI 10.1016/j.cell.2009.07.033 PG 13 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 501NM UT WOS:000270388600018 PM 19804755 ER PT J AU Krenkova, J Gargano, A Lacher, NA Schneiderheinze, JM Svec, F AF Krenkova, Jana Gargano, Andrea Lacher, Nathan A. Schneiderheinze, Jeffrey M. Svec, Frantisek TI High binding capacity surface grafted monolithic columns for cation exchange chromatography of proteins and peptides SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE Monolith; Capillary column; Glycidyl methacrylate; Grafting; Ion exchange chromatography; Proteins; Peptides ID 2-DIMENSIONAL LIQUID-CHROMATOGRAPHY; RIGID POLYMER MONOLITHS; CAPILLARY ELECTROCHROMATOGRAPHY; SEPARATION MEDIA; OFF-LINE; ION CHROMATOGRAPHY; MASS-SPECTROMETRY; STATIONARY PHASES; TECHNOLOGY; CHEMISTRY AB Poly(glycidyl methacrylate-co-ethylene methacrylate) monoliths have been prepared in 100 mu m i.d capillaries and their epoxy groups hydrolyzed to obtain poly(2,3-dihydroxypropyl methacrylate-co-ethylene methacrylate) matrix. These polymers were then photografted in a single step with 2-acrylamido-2-methyl-1-propanesulfonic acid and acrylic acid to afford stationary phases for a strong and a weak cation exchange chromatography, respectively. Alternatively, poly(ethylene glycol) methacrylate was used for grafting in the first step in order to enhance hydrophilicity of the support followed by photografting with 2-acrylamido-2-methyl-1-propanesulfonic acid or acrylic acid in the second step. These new columns were used for the separation of proteins and peptides. A mixture of ovalbumin, alpha-chymotrypsinogen, cytochrome c, ribonuclease A and lysozyme was used to assess the chromatographic performance for large molecules while a cytochrome c digest served as a model mixture of peptides. All tested columns featured excellent mass transfer as demonstrated with very steep breakthrough curves. The highest binding capacities were found for columns prepared using the two step functionalization. Columns with sulfonic acid functionalities adsorbed up to 21.5 mg/mL lysozyme while the capacity of the weak cation exchange column functionalized with acrylic acid was 29.2 mg/mL (C) 2009 Elsevier B.V. All rights reserved. C1 [Krenkova, Jana; Gargano, Andrea; Svec, Frantisek] EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Gargano, Andrea] Univ Pavia, Dept Pharmaceut Chem, I-27100 Pavia, Italy. [Lacher, Nathan A.; Schneiderheinze, Jeffrey M.] Pfizer Global Biol, Analyt Res & Dev, St Louis, MO USA. RP Svec, F (reprint author), EO Lawrence Berkeley Natl Lab, Mailstop 67R6110, Berkeley, CA 94720 USA. EM fsvec@lbl.gov RI Gargano, Andrea/J-4878-2013 OI Gargano, Andrea/0000-0003-3361-7341 FU U.S. Department of Energy [DE-AC02-05CH11231]; Pfizer Inc FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Support of J.K. by Pfizer Inc. is gratefully acknowledged. NR 48 TC 33 Z9 36 U1 1 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD OCT 2 PY 2009 VL 1216 IS 40 BP 6824 EP 6830 DI 10.1016/j.chroma.2009.08.031 PG 7 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 500QD UT WOS:000270317500007 PM 19717157 ER PT J AU Cappa, F Rutqvist, J Yamamoto, K AF Cappa, Frederic Rutqvist, Jonny Yamamoto, Koji TI Modeling crustal deformation and rupture processes related to upwelling of deep CO2-rich fluids during the 1965-1967 Matsushiro earthquake swarm in Japan SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article ID NIIGATA EARTHQUAKE; SLIP; FLOW; PRESSURE; STRESS; OVERPRESSURE; PERMEABILITY; GENERATION; SEISMICITY; INJECTION AB In Matsushiro, central Japan, a series of more than 700,000 earthquakes occurred over a 2-year period (1965-1967) associated with a strike-slip faulting sequence. This swarm of earthquakes resulted in ground surface deformations, cracking of the topsoil, and enhanced spring outflows with changes in chemical compositions, as well as carbon dioxide (CO2) degassing. Previous investigations of the Matsushiro earthquake swarm have suggested that migration of underground water and/or magma may have had a strong influence on the swarm activity. In this study, employing coupled multiphase flow and geomechanical modeling, we show that observed crustal deformations and seismicity could have been driven by upwelling of deep CO2-rich fluids around the intersection of two fault zones: the regional east Nagano earthquake fault and the conjugate Matsushiro fault. We show that the observed spatial evolution of seismicity along the two faults and magnitudes surface uplift are convincingly explained by a few megapascals of pressurization from the upwelling fluid within the critically stressed crust, a crust under a strike-slip stress regime near the frictional strength limit. Our analysis indicates that the most important cause for triggering of seismicity during the Matsushiro swarm was the fluid pressurization with the associated reduction in effective stress and strength in fault segments that were initially near critically stressed for shear failure. Moreover, our analysis indicates that a 2-order-of-magnitude permeability enhancement in ruptured fault segments may be necessary to match the observed time evolution of surface uplift. We conclude that our hydromechanical modeling study of the Matsushiro earthquake swarm shows a clear connection between earthquake rupture, deformation, stress, and permeability changes, as well as large-scale fluid flow related to degassing of CO2 in the shallow seismogenic crust. Thus our study provides further evidence of the important role of deep fluid sources in earthquake fault dynamics and surface deformations. C1 [Cappa, Frederic; Rutqvist, Jonny] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Yamamoto, Koji] Mizuho Informat & Res Inst, Chiyoda Ku, Tokyo 1010054, Japan. [Yamamoto, Koji] Japan Oil Gas & Met Natl Corp, Tokyo, Japan. [Cappa, Frederic] Univ Nice Sophia Antipolis, Cote dAzur Observ, UMR6526, GeoAzur, F-06560 Sophia Antipolis, France. RP Cappa, F (reprint author), Univ Nice Sophia Antipolis, Cote dAzur Observ, UMR6526, GeoAzur, 250 Rue Albert Einstein,Lucioles 1, F-06560 Sophia Antipolis, France. EM cappa@geoazur.unice.fr; jrutqvist@lbl.gov RI Rutqvist, Jonny/F-4957-2015; Cappa, Frederic/B-4014-2017 OI Rutqvist, Jonny/0000-0002-7949-9785; Cappa, Frederic/0000-0003-4859-8024 FU Ministry of Economy, Trade and Industry Ministry of Japan; Assistant Secretary for Fossil Energy, Office of Natural Gas and Petroleum Technology [DE-AC02-05CH11231] FX This work was financed by the Ministry of Economy, Trade and Industry Ministry of Japan. Further funds for completing this paper were provided by the Assistant Secretary for Fossil Energy, Office of Natural Gas and Petroleum Technology, through the National Energy Technology Laboratory under U. S. Department of Energy contract DE-AC02-05CH11231. The authors acknowledge the advice from the Technical Advisory Committee members and colleagues of the Natural Analogue Study for CO2 Geological Sequestration. The authors are grateful for the constructive comments and recommendations by Associate Editor Dan Faulkner, University of Liverpool; for the editorial review by Dan Hawkes, Lawrence Berkeley National Laboratory; for an external technical review by Giovanni Chiodini, National Institute of Geophysics and Volcanology, Napoli; and for the comments of one unidentified reviewer which substantially improved this paper. NR 64 TC 44 Z9 47 U1 0 U2 12 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9313 EI 2169-9356 J9 J GEOPHYS RES-SOL EA JI J. Geophys. Res.-Solid Earth PD OCT 2 PY 2009 VL 114 AR B10304 DI 10.1029/2009JB006398 PG 20 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 502MR UT WOS:000270465000001 ER PT J AU Quan, HT AF Quan, H. T. TI Finite-temperature scaling of magnetic susceptibility and the geometric phase in the XY spin chain SO JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL LA English DT Article ID MACROSCOPIC ENTANGLEMENT; QUANTUM CRITICALITY; ISING-MODEL; TRANSITIONS; LATTICE; FIELD AB We study the magnetic susceptibility of the 1D quantum XY model, and show that when the temperature approaches zero, the magnetic susceptibility exhibits finite-temperature scaling behavior. The scaling behavior of the magnetic susceptibility in the 1D quantum XY model, due to the quantum-classical mapping, can easily be experimentally tested. Furthermore, the universality in the critical properties of the magnetic susceptibility in the quantum XY model is verified. Our study also reveals the close relation between the magnetic susceptibility and the geometric phase in some spin systems, where the quantum phase transitions are driven by an external magnetic field. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Quan, HT (reprint author), Los Alamos Natl Lab, Div Theoret, MS B213, Los Alamos, NM 87545 USA. RI Quan, Haitao/G-8521-2012 OI Quan, Haitao/0000-0002-4130-2924 FU US Department of Energy through the LANL/LDRD Program FX The author thanks F M Cucchietti and Rishi Sharma for stimulating discussions and gratefully acknowledges the support of the US Department of Energy through the LANL/LDRD Program for this work. NR 48 TC 4 Z9 4 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1751-8113 EI 1751-8121 J9 J PHYS A-MATH THEOR JI J. Phys. A-Math. Theor. PD OCT 2 PY 2009 VL 42 IS 39 AR 395002 DI 10.1088/1751-8113/42/39/395002 PG 9 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 493WZ UT WOS:000269771100004 ER PT J AU Abazov, VM Abbott, B Abolins, M Acharya, BS Adams, M Adams, T Aguilo, E Ahsan, M Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Ancu, LS Andeen, T Anzelc, MS Aoki, M Arnoud, Y Arov, M Arthaud, M Askew, A Asman, B Atramentov, O Avila, C BackusMayes, J Badaud, F Bagby, L Baldin, B Bandurin, DV Banerjee, S Barberis, E Barfuss, AF Bargassa, P Baringer, P Barreto, J Bartlett, JF Bassler, U Bauer, D Beale, S Bean, A Begalli, M Begel, M Belanger-Champagne, C Bellantoni, L Bellavance, A Benitez, JA Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatnagar, V Blazey, G Blessing, S Bloom, K Boehnlein, A Boline, D Bolton, TA Boos, EE Borissov, G Bose, T Brandt, A Brock, R Brooijmans, G Bross, A Brown, D Bu, XB Buchholz, D Buehler, M Buescher, V Bunichev, V Burdin, S Burnett, TH Buszello, CP Calfayan, P Calpas, B Calvet, S Cammin, J Carrasco-Lizarraga, MA Carrera, E Carvalho, W Casey, BCK Castilla-Valdez, H Chakrabarti, S Chakraborty, D Chan, KM Chandra, A Cheu, E Cho, DK Cho, SW Choi, S Choudhary, B Christoudias, T Cihangir, S Claes, D Clutter, J Cooke, M Cooper, WE Corcoran, M Couderc, F Cousinou, MC Cutts, D Cwiok, M Das, A Davies, G De, K de Jong, SJ De La Cruz-Burelo, E DeVaughan, K Deliot, F Demarteau, M Demina, R Denisov, D Denisov, SP Desai, S Diehl, HT Diesburg, M Dominguez, A Dorland, T Dubey, A Dudko, LV Duflot, L Duggan, D Duperrin, A Dutt, S Dyshkant, A Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Eno, S Escalier, M Evans, H Evdokimov, A Evdokimov, VN Facini, G Ferapontov, AV Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Fu, S Fuess, S Gadfort, T Galea, CF Garcia-Bellido, A Gavrilov, V Gay, P Geist, W Geng, W Gerber, CE Gershtein, Y Gillberg, D Ginther, G Gomez, B Goussiou, A Grannis, PD Greder, S 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Qian, J Quadt, A Quinn, B Rakitine, A Rangel, MS Ranjan, K Ratoff, PN Renkel, P Rich, P Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Robinson, S Rominsky, M Royon, C Rubinov, P Ruchti, R Safronov, G Sajot, G Sanchez-Hernandez, A Sanders, MP Sanghi, B Savage, G Sawyer, L Scanlon, T Schaile, D Schamberger, RD Scheglov, Y Schellman, H Schliephake, T Schlobohm, S Schwanenberger, C Schwienhorst, R Sekaric, J Severini, H Shabalina, E Shamim, M Shary, V Shchukin, AA Shivpuri, RK Siccardi, V Simak, V Sirotenko, V Skubic, P Slattery, P Smirnov, D Snow, GR Snow, J Snyder, S Soldner-Rembold, S Sonnenschein, L Sopczak, A Sosebee, M Soustruznik, K Spurlock, B Stark, J Stolin, V Stoyanova, DA Strandberg, J Strang, MA Strauss, E Strauss, M Strohmer, R Strom, D Stutte, L Sumowidagdo, S Svoisky, P Takahashi, M Tanasijczuk, A Taylor, W Tiller, B Titov, M Tokmenin, VV Torchiani, I Tsybychev, D Tuchming, B Tully, C Tuts, PM Unalan, R Uvarov, L Uvarov, S Uzunyan, S van den Berg, PJ Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Verdier, P Vertogradov, LS Verzocchi, M Vesterinen, M Vilanova, D Vint, P Vokac, P Wagner, R Wahl, HD Wang, MHLS Warchol, J Watts, G Wayne, M Weber, G Weber, M Welty-Rieger, L Wenger, A Wetstein, M White, A Wicke, D Williams, MRJ Wilson, GW Wimpenny, SJ Wobisch, M Wood, DR Wyatt, TR Xie, Y Xu, C Yacoob, S Yamada, R Yang, WC Yasuda, T Yatsunenko, YA Ye, Z Yin, H Yip, K Yoo, HD Youn, SW Yu, J Zeitnitz, C Zelitch, S Zhao, T Zhou, B Zhu, J Zielinski, M Zieminska, D Zivkovic, L Zutshi, V Zverev, EG AF Abazov, V. M. Abbott, B. Abolins, M. Acharya, B. S. Adams, M. Adams, T. Aguilo, E. Ahsan, M. Alexeev, G. D. Alkhazov, G. Alton, A. Alverson, G. Alves, G. A. Ancu, L. S. Andeen, T. Anzelc, M. S. Aoki, M. Arnoud, Y. Arov, M. Arthaud, M. Askew, A. Asman, B. Atramentov, O. Avila, C. BackusMayes, J. Badaud, F. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, S. Barberis, E. Barfuss, A. -F. Bargassa, P. Baringer, P. Barreto, J. Bartlett, J. F. Bassler, U. Bauer, D. Beale, S. Bean, A. Begalli, M. Begel, M. Belanger-Champagne, C. Bellantoni, L. Bellavance, A. Benitez, J. A. Beri, S. B. Bernardi, G. Bernhard, R. Bertram, I. Besancon, M. Beuselinck, R. Bezzubov, V. A. Bhat, P. C. Bhatnagar, V. Blazey, G. Blessing, S. Bloom, K. Boehnlein, A. Boline, D. Bolton, T. A. Boos, E. E. Borissov, G. Bose, T. Brandt, A. Brock, R. Brooijmans, G. Bross, A. Brown, D. Bu, X. B. Buchholz, D. Buehler, M. Buescher, V. Bunichev, V. Burdin, S. Burnett, T. H. Buszello, C. P. Calfayan, P. Calpas, B. Calvet, S. Cammin, J. Carrasco-Lizarraga, M. A. Carrera, E. Carvalho, W. Casey, B. C. K. Castilla-Valdez, H. Chakrabarti, S. Chakraborty, D. Chan, K. M. Chandra, A. Cheu, E. Cho, D. K. Cho, S. W. Choi, S. Choudhary, B. Christoudias, T. Cihangir, S. Claes, D. Clutter, J. Cooke, M. Cooper, W. E. Corcoran, M. Couderc, F. Cousinou, M-C. Cutts, D. Cwiok, M. Das, A. Davies, G. De, K. de Jong, S. J. De La Cruz-Burelo, E. DeVaughan, K. Deliot, F. Demarteau, M. Demina, R. Denisov, D. Denisov, S. P. Desai, S. Diehl, H. T. Diesburg, M. Dominguez, A. Dorland, T. Dubey, A. Dudko, L. V. Duflot, L. Duggan, D. Duperrin, A. Dutt, S. Dyshkant, A. Eads, M. Edmunds, D. Ellison, J. Elvira, V. D. Enari, Y. Eno, S. Escalier, M. Evans, H. Evdokimov, A. Evdokimov, V. N. Facini, G. Ferapontov, A. V. Ferbel, T. Fiedler, F. Filthaut, F. Fisher, W. Fisk, H. E. Fortner, M. Fox, H. Fu, S. Fuess, S. Gadfort, T. Galea, C. F. Garcia-Bellido, A. Gavrilov, V. Gay, P. Geist, W. Geng, W. Gerber, C. E. Gershtein, Y. Gillberg, D. Ginther, G. 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A.; Vasilyev, I. A.] Inst High Energy Phys, Protvino, Russia. [Alkhazov, G.; Lobodenko, A.; Neustroev, P.; Obrant, G.; Scheglov, Y.; Uvarov, L.; Uvarov, S.] Petersburg Nucl Phys Inst, St Petersburg, Russia. [Asman, B.; Belanger-Champagne, C.] Uppsala Univ, Uppsala, Sweden. [Asman, B.; Belanger-Champagne, C.] Stockholm Univ, S-10691 Stockholm, Sweden. [Bertram, I.; Borissov, G.; Burdin, S.; Fox, H.; Love, P.; Rakitine, A.; Ratoff, P. N.; Sopczak, A.; Williams, M. R. J.] Univ Lancaster, Lancaster, England. [Bauer, D.; Beuselinck, R.; Buszello, C. P.; Christoudias, T.; Davies, G.; Hays, J.; Jesik, R.; Jonsson, P.; Osman, N.; Robinson, S.; Scanlon, T.; Vint, P.] Univ London Imperial Coll Sci Technol & Med, London, England. [Harder, K.; Owen, M.; Peters, K.; Peters, Y.; Rich, P.; Schwanenberger, C.; Soeldner-Rembold, S.; Takahashi, M.; Vesterinen, M.; Wyatt, T. R.; Yang, W. -C.] Univ Manchester, Manchester, Lancs, England. [Cheu, E.; Das, A.; Johns, K.; Mal, P. K.; Varnes, E. W.] Univ Arizona, Tucson, AZ 85721 USA. [Hall, R. E.] Calif State Univ Fresno, Fresno, CA 93740 USA. [Chandra, A.; Ellison, J.; Heinson, A. P.; Li, L.; Padilla, M.; Wimpenny, S. J.] Univ Calif Riverside, Riverside, CA 92521 USA. [Adams, T.; Askew, A.; Atramentov, O.; Blessing, S.; Carrera, E.; Duggan, D.; Gershtein, Y.; Hagopian, S.; Hoang, T.; Sekaric, J.; Sumowidagdo, S.; Wahl, H. D.] Florida State Univ, Tallahassee, FL 32306 USA. [Aoki, M.; Bagby, L.; Baldin, B.; Bartlett, J. F.; Bellantoni, L.; Bellavance, A.; Bhat, P. C.; Boehnlein, A.; Bross, A.; Casey, B. C. K.; Cihangir, S.; Cooke, M.; Cooper, W. E.; Demarteau, M.; Denisov, D.; Desai, S.; Diehl, H. T.; Diesburg, M.; Elvira, V. D.; Fisher, W.; Fisk, H. E.; Fu, S.; Fuess, S.; Ginther, G.; Greenlee, H.; Gruenendahl, S.; Gutierrez, G.; Illingworth, R.; Ito, A. S.; Johnson, M.; Jonckheere, A.; Juste, A.; Kasper, P. A.; Khalatyan, N.; Klima, B.; Lee, W. M.; Li, Q. Z.; Lincoln, D.; Lipton, R.; Lyon, A. L.; Merritt, K. W.; Montgomery, H. E.; Naimuddin, M.; Oshima, N.; Podstavkov, V. M.; Rubinov, P.; Sanghi, B.; Savage, G.; Sirotenko, V.; Stutte, L.; Verzocchi, M.; Weber, M.; Yamada, R.; Yasuda, T.; Ye, Z.; Youn, S. W.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Adams, M.; Gerber, C. E.; Strom, D.; Varelas, N.] Univ Illinois, Chicago, IL 60607 USA. [Blazey, G.; Chakraborty, D.; Dyshkant, A.; Fortner, M.; Hedin, D.; Menezes, D.; Uzunyan, S.; Zutshi, V.] No Illinois Univ, De Kalb, IL 60115 USA. [Andeen, T.; Anzelc, M. S.; Buchholz, D.; Kirby, M. H.; Schellman, H.; Yacoob, S.] Northwestern Univ, Evanston, IL 60208 USA. [Evans, H.; Lammers, S.; Parua, N.; Van Kooten, R.; Welty-Rieger, L.; Zieminska, D.] Indiana Univ, Bloomington, IN 47405 USA. [Chan, K. M.; Hildreth, M. D.; Lam, D.; Osta, J.; Pogorelov, Y.; Ruchti, R.; Smirnov, D.; Warchol, J.; Wayne, M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Parashar, N.] Purdue Univ Calumet, Hammond, IN 46323 USA. [Hauptman, J. 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[Begel, M.; Evdokimov, A.; Patwa, A.; Protopopescu, S.; Snyder, S.; Yip, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Snow, J.] Langston Univ, Langston, OK 73050 USA. [Abbott, B.; Gutierrez, P.; Hossain, S.; Jain, S.; Rominsky, M.; Severini, H.; Skubic, P.; Strauss, M.] Univ Oklahoma, Norman, OK 73019 USA. [Khanov, A.; Rizatdinova, F.] Oklahoma State Univ, Stillwater, OK 74078 USA. [Cutts, D.; Enari, Y.; Khatidze, D.; Landsberg, G.; Narain, M.; Pangilinan, M.; Partridge, R.; Xie, Y.; Yoo, H. D.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; De, K.; Kaushik, V.; Sosebee, M.; Spurlock, B.; White, A.; Yu, J.] Univ Texas Arlington, Arlington, TX 76019 USA. [Kehoe, R.; Renkel, P.] So Methodist Univ, Dallas, TX 75275 USA. [Bargassa, P.; Corcoran, M.; Mackin, D.; Padley, P.; Prewitt, M.] Rice Univ, Houston, TX 77005 USA. [Buehler, M.; Hirosky, R.; Zelitch, S.] Univ Virginia, Charlottesville, VA 22901 USA. [BackusMayes, J.; Burnett, T. H.; Dorland, T.; Goussiou, A.; Lubatti, H. J.; Schlobohm, S.; Watts, G.; Zhao, T.] Univ Washington, Seattle, WA 98195 USA. RP Abazov, VM (reprint author), Joint Inst Nucl Res, Dubna, Russia. RI De, Kaushik/N-1953-2013; Ancu, Lucian Stefan/F-1812-2010; Alves, Gilvan/C-4007-2013; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Lokajicek, Milos/G-7800-2014; Kupco, Alexander/G-9713-2014; Kozelov, Alexander/J-3812-2014; Christoudias, Theodoros/E-7305-2015; Guo, Jun/O-5202-2015; Li, Liang/O-1107-2015; Yip, Kin/D-6860-2013; Fisher, Wade/N-4491-2013; Shivpuri, R K/A-5848-2010; Gutierrez, Phillip/C-1161-2011; bu, xuebing/D-1121-2012; Leflat, Alexander/D-7284-2012; Dudko, Lev/D-7127-2012; Perfilov, Maxim/E-1064-2012; Boos, Eduard/D-9748-2012; Merkin, Mikhail/D-6809-2012; Novaes, Sergio/D-3532-2012; Mercadante, Pedro/K-1918-2012; Mundim, Luiz/A-1291-2012; Bargassa, Pedrame/O-2417-2016; Juste, Aurelio/I-2531-2015; OI Hoeneisen, Bruce/0000-0002-6059-4256; Malik, Sudhir/0000-0002-6356-2655; Blazey, Gerald/0000-0002-7435-5758; Evans, Harold/0000-0003-2183-3127; Beuselinck, Raymond/0000-0003-2613-7446; Weber, Gernot/0000-0003-4199-1640; Heinson, Ann/0000-0003-4209-6146; grannis, paul/0000-0003-4692-2142; Qian, Jianming/0000-0003-4813-8167; De, Kaushik/0000-0002-5647-4489; Ancu, Lucian Stefan/0000-0001-5068-6723; Sharyy, Viatcheslav/0000-0002-7161-2616; Christoudias, Theodoros/0000-0001-9050-3880; Guo, Jun/0000-0001-8125-9433; Li, Liang/0000-0001-6411-6107; Heredia De La Cruz, Ivan/0000-0002-8133-6467; Yip, Kin/0000-0002-8576-4311; Dudko, Lev/0000-0002-4462-3192; Novaes, Sergio/0000-0003-0471-8549; Mundim, Luiz/0000-0001-9964-7805; Bean, Alice/0000-0001-5967-8674; Sawyer, Lee/0000-0001-8295-0605; Bargassa, Pedrame/0000-0001-8612-3332; Hedin, David/0000-0001-9984-215X; Carrera, Edgar/0000-0002-0857-8507; Wahl, Horst/0000-0002-1345-0401; Juste, Aurelio/0000-0002-1558-3291; Begel, Michael/0000-0002-1634-4399; de Jong, Sijbrand/0000-0002-3120-3367; Landsberg, Greg/0000-0002-4184-9380; Blessing, Susan/0000-0002-4455-7279; Gershtein, Yuri/0000-0002-4871-5449; Duperrin, Arnaud/0000-0002-5789-9825; Haas, Andrew/0000-0002-4832-0455; Williams, Mark/0000-0001-5448-4213; Weber, Michele/0000-0002-2770-9031; Grohsjean, Alexander/0000-0003-0748-8494; Melnychuk, Oleksandr/0000-0002-2089-8685; Bassler, Ursula/0000-0002-9041-3057; Filthaut, Frank/0000-0003-3338-2247; Bertram, Iain/0000-0003-4073-4941; Belanger-Champagne, Camille/0000-0003-2368-2617 FU DOE; NSF (USA); CEA; CNRS/IN2P3; FASI; Rosatom; RFBR (Russia); CNPq; FAPERJ; FAPESP; FUNDUNESP (Brazil); DAE; DST (India); Colciencias (Colombia); CONACyT (Mexico); KRF; KOSEF (Korea); CONICET; UBACyT (Argentina); FOM (The Netherlands); STFC; Royal Society (United Kingdom); MSMT; GACR (Czech Republic); CRC Program; CFI; NSERC; West-Grid Project (Canada); BMBF; DFG (Germany); SFI (Ireland); Swedish Research Council (Sweden); CAS; CNSF (China); Alexander von Humboldt Foundation (Germany) FX We thank the staffs at Fermilab and collaborating institutions, and acknowledge support from the DOE and NSF (USA); CEA and CNRS/IN2P3 (France); FASI, Rosatom and RFBR (Russia); CNPq, FAPERJ, FAPESP and FUNDUNESP (Brazil); DAE and DST (India); Colciencias (Colombia); CONACyT (Mexico); KRF and KOSEF (Korea); CONICET and UBACyT (Argentina); FOM (The Netherlands); STFC and the Royal Society (United Kingdom); MSMT and GACR (Czech Republic); CRC Program, CFI, NSERC and West-Grid Project (Canada); BMBF and DFG (Germany); SFI (Ireland); The Swedish Research Council (Sweden); CAS and CNSF (China); and the Alexander von Humboldt Foundation (Germany). NR 28 TC 34 Z9 34 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 2 PY 2009 VL 103 IS 14 AR 141801 DI 10.1103/PhysRevLett.103.141801 PG 7 WC Physics, Multidisciplinary SC Physics GA 502KR UT WOS:000270458800013 ER PT J AU Afanasiev, S Aidala, C Ajitanand, NN Akiba, Y Alexander, J Al-Jamel, A Aoki, K Aphecetche, L Armendariz, R Aronson, SH Averbeck, R Awes, TC Azmoun, B Babintsev, V Baldisseri, A Barish, KN Barnes, PD Bassalleck, B Bathe, S Batsouli, S Baublis, V Bauer, F Bazilevsky, A Belikov, S Bennett, R Berdnikov, Y Bjorndal, MT Boissevain, JG Borel, H Boyle, K Brooks, ML Brown, DS Bucher, D Buesching, H Bumazhnov, V Bunce, G Burward-Hoy, JM Butsyk, S Campbell, S Chai, JS Chernichenko, S Chiba, J Chi, CY Chiu, M Choi, IJ Chujo, T Cianciolo, V Cleven, CR Cobigo, Y Cole, BA Comets, MP Constantin, P Csanad, M Csorgo, T Dahms, T Das, K David, G Delagrange, H Denisov, A d'Enterria, D Deshpande, A Desmond, EJ Dietzsch, O Dion, A Drachenberg, JL Drapier, O Drees, A Dubey, AK Durum, A Dzhordzhadze, V Efremenko, YV Egdemir, J Enokizono, A En'yo, H Espagnon, B Esumi, S Fields, DE Fleuret, F Fokin, SL Forestier, B Fraenkel, Z Frantz, JE Franz, A Frawley, AD Fukao, Y Fung, SY Gadrat, S Gastineau, F Germain, M Glenn, A Gonin, M Gosset, J Goto, Y de Cassagnac, RG Grau, N Greene, SV Perdekamp, MG Gunji, T Gustafsson, HA Hachiya, T Henni, AH Haggerty, JS Hagiwara, MN Hamagaki, H Harada, H Hartouni, EP Haruna, K Harvey, M Haslum, E Hasuko, K Hayano, R Heffner, M Hemmick, TK Heuser, JM He, X Hiejima, H Hill, JC Hobbs, R Holmes, M Holzmann, W Homma, K Hong, B Horaguchi, T Hur, MG Ichihara, T Imai, K Inaba, M Isenhower, D Isenhower, L Ishihara, M Isobe, T Issah, M Isupov, A Jacak, BV Jia, J Jin, J Jinnouchi, O Johnson, BM Joo, KS Jouan, D Kajihara, F Kametani, S Kamihara, N Kaneta, M Kang, JH Kawagishi, T Kazantsev, AV Kelly, S Khanzadeev, A Kim, DJ Kim, E Kim, YS Kinney, E Kiss, A Kistenev, E Kiyomichi, A Klein-Boesing, C Kochenda, L Kochetkov, V Komkov, B Konno, M Kotchetkov, D Kozlov, A Kroon, PJ Kunde, GJ Kurihara, N Kurita, K Kweon, MJ Kwon, Y Kyle, GS Lacey, R Lajoie, JG Lebedev, A Le Bornec, Y Leckey, S Lee, DM Lee, MK Leitch, MJ Leite, MAL Lim, H Litvinenko, A Liu, MX Li, XH Maguire, CF Makdisi, YI Malakhov, A Malik, MD Manko, VI Masui, H Matathias, F McCain, MC McGaughey, PL Miake, Y Miller, TE Milov, A Mioduszewski, S Mishra, GC Mitchell, JT Morrison, DP Moss, JM Moukhanova, TV Mukhopadhyay, D Murata, J Nagamiya, S Nagata, Y Nagle, JL Naglis, M Nakamura, T Newby, J Nguyen, M Norman, BE Nouicer, R Nyanin, AS Nystrand, J O'Brien, E Ogilvie, CA Ohnishi, H Ojha, ID Okada, H Okada, K Omiwade, OO Oskarsson, A Otterlund, I Ozawa, K Pal, D Palounek, APT Pantuev, V Papavassiliou, V Park, J Park, WJ Pate, SF Pei, H Peng, JC Pereira, H Peresedov, V Peressounko, DY Pinkenburg, C Pisani, RP Purschke, ML Purwar, AK Qu, H Rak, J Ravinovich, I Read, KF Reuter, M Reygers, K Riabov, V Riabov, Y Roche, G Romana, A Rosati, M Rosendahl, SSE Rosnet, P Rukoyatkin, P Rykov, VL Ryu, SS Sahlmueller, B Saito, N Sakaguchi, T Sakai, S Samsonov, V Sato, HD Sato, S Sawada, S Semenov, V Seto, R Sharma, D Shea, TK Shein, I Shibata, TA Shigaki, K Shimomura, M Shohjoh, T Shoji, K Sickles, A Silva, CL Silvermyr, D Sim, KS Singh, CP Singh, V Skutnik, S Smith, WC Soldatov, A Soltz, RA Sondheim, WE Sorensen, SP Sourikova, IV Staley, F Stankus, PW Stenlund, E Stepanov, M Ster, A Stoll, SP Sugitate, T Suire, C Sullivan, JP Sziklai, J Tabaru, T Takagi, S Takagui, EM Taketani, A Tanaka, KH Tanaka, Y Tanida, K Tannenbaum, MJ Taranenko, A Tarjan, P Thomas, TL Togawa, M Tojo, J Torii, H Towell, RS Tram, VN Tserruya, I Tsuchimoto, Y Tuli, SK Tydesjo, H Tyurin, N Vale, C Valle, H van Hecke, HW Velkovska, J Vertesi, R Vinogradov, AA Vznuzdaev, E Wagner, M Wang, XR Watanabe, Y Wessels, J White, SN Willis, N Winter, D Woody, CL Wysocki, M Xie, W Yanovich, A Yokkaichi, S Young, GR Younus, I Yushmanov, IE Zajc, WA Zaudtke, O Zhang, C Zimanyi, J Zolin, L AF Afanasiev, S. Aidala, C. Ajitanand, N. N. Akiba, Y. Alexander, J. Al-Jamel, A. Aoki, K. Aphecetche, L. Armendariz, R. Aronson, S. H. Averbeck, R. Awes, T. C. Azmoun, B. Babintsev, V. Baldisseri, A. Barish, K. N. Barnes, P. D. Bassalleck, B. Bathe, S. Batsouli, S. Baublis, V. Bauer, F. Bazilevsky, A. Belikov, S. Bennett, R. Berdnikov, Y. Bjorndal, M. T. Boissevain, J. G. Borel, H. Boyle, K. Brooks, M. L. Brown, D. S. Bucher, D. Buesching, H. Bumazhnov, V. Bunce, G. Burward-Hoy, J. M. Butsyk, S. Campbell, S. Chai, J. -S. Chernichenko, S. Chiba, J. Chi, C. Y. Chiu, M. Choi, I. J. Chujo, T. Cianciolo, V. Cleven, C. R. Cobigo, Y. Cole, B. A. Comets, M. P. Constantin, P. Csanad, M. Csoergo, T. Dahms, T. Das, K. David, G. Delagrange, H. Denisov, A. d'Enterria, D. Deshpande, A. Desmond, E. J. Dietzsch, O. Dion, A. Drachenberg, J. L. Drapier, O. Drees, A. Dubey, A. K. Durum, A. Dzhordzhadze, V. Efremenko, Y. V. Egdemir, J. Enokizono, A. En'yo, H. Espagnon, B. Esumi, S. Fields, D. E. Fleuret, F. Fokin, S. L. Forestier, B. Fraenkel, Z. Frantz, J. E. Franz, A. Frawley, A. D. Fukao, Y. Fung, S. -Y. Gadrat, S. Gastineau, F. Germain, M. Glenn, A. Gonin, M. Gosset, J. Goto, Y. de Cassagnac, R. Granier Grau, N. Greene, S. V. Perdekamp, M. Grosse Gunji, T. Gustafsson, H. -A Hachiya, T. Henni, A. Hadj Haggerty, J. S. Hagiwara, M. N. Hamagaki, H. Harada, H. Hartouni, E. P. Haruna, K. Harvey, M. Haslum, E. Hasuko, K. Hayano, R. Heffner, M. Hemmick, T. K. Heuser, J. M. He, X. Hiejima, H. Hill, J. C. Hobbs, R. Holmes, M. Holzmann, W. Homma, K. Hong, B. Horaguchi, T. Hur, M. G. Ichihara, T. Imai, K. Inaba, M. Isenhower, D. Isenhower, L. Ishihara, M. Isobe, T. Issah, M. Isupov, A. Jacak, B. V. Jia, J. Jin, J. Jinnouchi, O. Johnson, B. M. Joo, K. S. Jouan, D. Kajihara, F. Kametani, S. Kamihara, N. Kaneta, M. Kang, J. H. Kawagishi, T. Kazantsev, A. V. Kelly, S. Khanzadeev, A. Kim, D. J. Kim, E. Kim, Y. -S. Kinney, E. Kiss, A. Kistenev, E. Kiyomichi, A. Klein-Boesing, C. Kochenda, L. Kochetkov, V. Komkov, B. Konno, M. Kotchetkov, D. Kozlov, A. Kroon, P. J. Kunde, G. J. Kurihara, N. Kurita, K. Kweon, M. J. Kwon, Y. Kyle, G. S. Lacey, R. Lajoie, J. G. Lebedev, A. Le Bornec, Y. Leckey, S. Lee, D. M. Lee, M. K. Leitch, M. J. Leite, M. A. L. Lim, H. Litvinenko, A. Liu, M. X. Li, X. H. Maguire, C. F. Makdisi, Y. I. Malakhov, A. Malik, M. D. Manko, V. I. Masui, H. Matathias, F. McCain, M. C. McGaughey, P. L. Miake, Y. Miller, T. E. Milov, A. Mioduszewski, S. Mishra, G. C. Mitchell, J. T. Morrison, D. P. Moss, J. M. Moukhanova, T. V. Mukhopadhyay, D. Murata, J. Nagamiya, S. Nagata, Y. Nagle, J. L. Naglis, M. Nakamura, T. Newby, J. Nguyen, M. Norman, B. E. Nouicer, R. Nyanin, A. S. Nystrand, J. O'Brien, E. Ogilvie, C. A. Ohnishi, H. Ojha, I. D. Okada, H. Okada, K. Omiwade, O. O. Oskarsson, A. Otterlund, I. Ozawa, K. Pal, D. Palounek, A. P. T. Pantuev, V. Papavassiliou, V. Park, J. Park, W. J. Pate, S. F. Pei, H. Peng, J. -C. Pereira, H. Peresedov, V. Peressounko, D. Yu. Pinkenburg, C. Pisani, R. P. Purschke, M. L. Purwar, A. K. Qu, H. Rak, J. Ravinovich, I. Read, K. F. Reuter, M. Reygers, K. Riabov, V. Riabov, Y. Roche, G. Romana, A. Rosati, M. Rosendahl, S. S. E. Rosnet, P. Rukoyatkin, P. Rykov, V. L. Ryu, S. S. Sahlmueller, B. Saito, N. Sakaguchi, T. Sakai, S. Samsonov, V. Sato, H. D. Sato, S. Sawada, S. Semenov, V. Seto, R. Sharma, D. Shea, T. K. Shein, I. Shibata, T. -A. Shigaki, K. Shimomura, M. Shohjoh, T. Shoji, K. Sickles, A. Silva, C. L. Silvermyr, D. Sim, K. S. Singh, C. P. Singh, V. Skutnik, S. Smith, W. C. Soldatov, A. Soltz, R. A. Sondheim, W. E. Sorensen, S. P. Sourikova, I. V. Staley, F. Stankus, P. W. Stenlund, E. Stepanov, M. Ster, A. Stoll, S. P. Sugitate, T. Suire, C. Sullivan, J. P. Sziklai, J. Tabaru, T. Takagi, S. Takagui, E. M. Taketani, A. Tanaka, K. H. Tanaka, Y. Tanida, K. Tannenbaum, M. J. Taranenko, A. Tarjan, P. Thomas, T. L. Togawa, M. Tojo, J. Torii, H. Towell, R. S. Tram, V-N. Tserruya, I. Tsuchimoto, Y. Tuli, S. K. Tydesjo, H. Tyurin, N. Vale, C. Valle, H. van Hecke, H. W. Velkovska, J. Vertesi, R. Vinogradov, A. A. Vznuzdaev, E. Wagner, M. Wang, X. R. Watanabe, Y. Wessels, J. White, S. N. Willis, N. Winter, D. Woody, C. L. Wysocki, M. Xie, W. Yanovich, A. Yokkaichi, S. Young, G. R. Younus, I. Yushmanov, I. E. Zajc, W. A. Zaudtke, O. Zhang, C. Zimanyi, J. Zolin, L. CA PHENIX Collaboration TI Charged Kaon Interferometric Probes of Space-Time Evolution in Au plus Au Collisions at s(NN)=200 GeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID HEAVY-ION COLLISIONS; QCD PHASE-TRANSITION; BOSE-EINSTEIN; SYSTEMS; MATTER AB Bose-Einstein correlations of charged kaons are used to probe Au+Au collisions at s(NN)=200 GeV and are compared to charged pion probes, which have a larger hadronic scattering cross section. Three-dimensional Gaussian source radii are extracted, along with a one-dimensional kaon emission source function. The centrality dependences of the three Gaussian radii are well described by a single linear function of N-part(1/3) with a zero intercept. Imaging analysis shows a deviation from a Gaussian tail at r greater than or similar to 10 fm, although the bulk emission at lower radius is well described by a Gaussian. The presence of a non-Gaussian tail in the kaon source reaffirms that the particle emission region in a heavy-ion collision is extended, and that similar measurements with pions are not solely due to the decay of long-lived resonances. C1 [Afanasiev, S.; Isupov, A.; Litvinenko, A.; Malakhov, A.; Peresedov, V.; Rukoyatkin, P.; Zolin, L.] Joint Inst Nucl Res, Dubna 141980, Moscow Region, Russia. [Drachenberg, J. L.; Hagiwara, M. N.; Isenhower, D.; Isenhower, L.; Omiwade, O. O.; Smith, W. C.; Towell, R. S.] Abilene Christian Univ, Abilene, TX 79699 USA. [Singh, C. P.; Singh, V.; Tuli, S. K.] Banaras Hindu Univ, Dept Phys, Varanasi 221005, Uttar Pradesh, India. [Aronson, S. H.; Azmoun, B.; Bazilevsky, A.; Belikov, S.; Buesching, H.; Bunce, G.; David, G.; Desmond, E. J.; Franz, A.; Haggerty, J. S.; Harvey, M.; Johnson, B. M.; Kistenev, E.; Kroon, P. J.; Makdisi, Y. I.; Mioduszewski, S.; Mitchell, J. T.; Morrison, D. P.; Nouicer, R.; O'Brien, E.; Pinkenburg, C.; Pisani, R. P.; Purschke, M. L.; Sato, S.; Shea, T. K.; Sourikova, I. V.; Stoll, S. P.; Tannenbaum, M. J.; White, S. N.; Woody, C. L.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Barish, K. N.; Bathe, S.; Bauer, F.; Fung, S. -Y.; Kotchetkov, D.; Li, X. H.; Seto, R.; Xie, W.] Univ Calif Riverside, Riverside, CA 92521 USA. [Gunji, T.; Hamagaki, H.; Hayano, R.; Isobe, T.; Kajihara, F.; Kurihara, N.; Ozawa, K.] Univ Tokyo, Grad Sch Sci, Ctr Nucl Study, Bunkyo Ku, Tokyo 1130033, Japan. [Kelly, S.; Kinney, E.; Nagle, J. L.; Wysocki, M.] Univ Colorado, Boulder, CO 80309 USA. [Aidala, C.; Batsouli, S.; Bjorndal, M. T.; Chi, C. Y.; Chiu, M.; Cole, B. A.; d'Enterria, D.; Frantz, J. 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[Babintsev, V.; Bumazhnov, V.; Chernichenko, S.; Denisov, A.; Durum, A.; Kochetkov, V.; Semenov, V.; Shein, I.; Soldatov, A.; Tyurin, N.; Yanovich, A.] Inst High Energy Phys, State Res Ctr Russian Federat, IHEP Protvino, Protvino 142281, Russia. [Perdekamp, M. Grosse; Hiejima, H.; McCain, M. C.; Peng, J. -C.] Univ Illinois, Urbana, IL 61801 USA. [Belikov, S.; Constantin, P.; Grau, N.; Hill, J. C.; Lajoie, J. G.; Lebedev, A.; Ogilvie, C. A.; Pei, H.; Rak, J.; Rosati, M.; Skutnik, S.; Vale, C.] Iowa State Univ, Ames, IA 50011 USA. [Chai, J. -S.; Hur, M. G.; Kim, Y. -S.] KAERI, Cyclotron Applicat Lab, Seoul, South Korea. [Chiba, J.; Nagamiya, S.; Sato, S.; Sawada, S.; Tanaka, K. H.] High Energy Accelerator Res Org, Tsukuba, Ibaraki 3050801, Japan. [Csoergo, T.; Ster, A.; Sziklai, J.; Zimanyi, J.] Hungarian Acad Sci, KFKI Res Inst Particle & Nucl Phys, MTA KFKI RMKI, H-1525 Budapest 114, Hungary. [Hong, B.; Kweon, M. J.; Park, W. J.; Sim, K. S.] Korea Univ, Seoul 136701, South Korea. [Fokin, S. L.; Kazantsev, A. V.; Manko, V. I.; Moukhanova, T. V.; Nyanin, A. S.; Peressounko, D. Yu.; Vinogradov, A. A.; Yushmanov, I. E.] Kurchatov Inst, Russian Res Ctr, Moscow, Russia. [Aoki, K.; Fukao, Y.; Imai, K.; Okada, H.; Saito, N.; Sato, H. D.; Shoji, K.; Togawa, M.; Wagner, M.] Kyoto Univ, Kyoto 6068502, Japan. [Drapier, O.; Fleuret, F.; Gonin, M.; de Cassagnac, R. Granier; Romana, A.; Tram, V-N.] Ecole Polytech, CNRS, IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Hartouni, E. P.; Heffner, M.; Newby, J.; Soltz, R. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Barnes, P. D.; Boissevain, J. G.; Brooks, M. L.; Burward-Hoy, J. M.; Kunde, G. J.; Lee, D. M.; Leitch, M. J.; Liu, M. X.; McGaughey, P. L.; Moss, J. M.; Norman, B. E.; Palounek, A. P. T.; Sondheim, W. E.; Sullivan, J. P.; van Hecke, H. W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Forestier, B.; Gadrat, S.; Roche, G.; Rosnet, P.] Univ Clermont Ferrand, CNRS, IN2P3, LPC, F-63177 Aubiere, France. [Gustafsson, H. -A; Haslum, E.; Nystrand, J.; Oskarsson, A.; Otterlund, I.; Rosendahl, S. S. E.; Stenlund, E.; Tydesjo, H.] Lund Univ, Dept Phys, SE-22100 Lund, Sweden. [Bucher, D.; Klein-Boesing, C.; Reygers, K.; Sahlmueller, B.; Wessels, J.; Zaudtke, O.] Univ Munster, Inst Kernphys, D-48149 Munster, Germany. [Joo, K. S.] Myongji Univ, Yongin 449728, Kyonggido, South Korea. [Tanaka, Y.] Nagasaki Inst Appl Sci, Nagasaki 8510193, Japan. [Bassalleck, B.; Fields, D. E.; Hobbs, R.; Malik, M. D.; Thomas, T. L.; Younus, I.] Univ New Mexico, Albuquerque, NM 87131 USA. [Al-Jamel, A.; Armendariz, R.; Brown, D. S.; Kyle, G. S.; Papavassiliou, V.; Pate, S. F.; Stepanov, M.; Wang, X. R.] New Mexico State Univ, Las Cruces, NM 88003 USA. [Awes, T. C.; Cianciolo, V.; Efremenko, Y. V.; Read, K. F.; Silvermyr, D.; Stankus, P. W.; Young, G. R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Comets, M. P.; Espagnon, B.; Jouan, D.; Le Bornec, Y.; Suire, C.; Willis, N.] Univ Paris 11, IPN Orsay, CNRS, IN2P3,BP1, F-91406 Orsay, France. [Baublis, V.; Khanzadeev, A.; Kochenda, L.; Komkov, B.; Riabov, V.; Riabov, Y.; Samsonov, V.; Vznuzdaev, E.] Petersburg Nucl Phys Inst, PNPI, Gatchina 188300, Leningrad Reg, Russia. [Akiba, Y.; Aoki, K.; En'yo, H.; Fukao, Y.; Goto, Y.; Hachiya, T.; Hasuko, K.; Heuser, J. M.; Horaguchi, T.; Ichihara, T.; Imai, K.; Ishihara, M.; Kajihara, F.; Kamihara, N.; Kiyomichi, A.; Kurita, K.; Murata, J.; Ohnishi, H.; Okada, H.; Rykov, V. L.; Saito, N.; Sato, H. D.; Shibata, T. -A.; Shoji, K.; Taketani, A.; Tanida, K.; Togawa, M.; Tojo, J.; Torii, H.; Tsuchimoto, Y.; Wagner, M.; Watanabe, Y.; Yokkaichi, S.] RIKEN, Nishina Ctr Accelerator Based Sci, Wako, Saitama 3510198, Japan. [Akiba, Y.; Bunce, G.; Deshpande, A.; En'yo, H.; Fields, D. E.; Goto, Y.; Perdekamp, M. Grosse; Ichihara, T.; Jinnouchi, O.; Kaneta, M.; Okada, K.; Saito, N.; Tabaru, T.; Taketani, A.; Tanida, K.; Watanabe, Y.; Xie, W.; Yokkaichi, S.] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Kurita, K.; Murata, J.] Rikkyo Univ, Dept Phys, Toshima Ku, Tokyo 1718501, Japan. [Berdnikov, Y.] St Petersburg State Polytech Univ, St Petersburg, Russia. [Dietzsch, O.; Leite, M. A. L.; Silva, C. L.; Takagui, E. M.] Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil. [Kim, E.; Lim, H.; Park, J.] Seoul Natl Univ, Syst Elect Lab, Seoul, South Korea. [Ajitanand, N. N.; Alexander, J.; Holzmann, W.; Issah, M.; Lacey, R.; Taranenko, A.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Averbeck, R.; Bennett, R.; Boyle, K.; Butsyk, S.; Campbell, S.; Dahms, T.; Deshpande, A.; Dion, A.; Drees, A.; Egdemir, J.; Hemmick, T. K.; Jacak, B. V.; Leckey, S.; Matathias, F.; Milov, A.; Nguyen, M.; Pantuev, V.; Purwar, A. K.; Reuter, M.; Sickles, A.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Aphecetche, L.; Delagrange, H.; Gastineau, F.; Germain, M.; Henni, A. Hadj] Univ Nantes, Ecole Mines Nantes, SUBATECH, CNRS IN2P3, F-44307 Nantes, France. [Dzhordzhadze, V.; Glenn, A.; Read, K. F.; Sorensen, S. P.] Univ Tennessee, Knoxville, TN 37996 USA. [Horaguchi, T.; Kamihara, N.; Shibata, T. -A.] Tokyo Inst Technol, Dept Phys, Meguro Ku, Tokyo 1528551, Japan. [Esumi, S.; Inaba, M.; Kawagishi, T.; Konno, M.; Masui, H.; Miake, Y.; Nagata, Y.; Sakai, S.; Sato, S.; Shimomura, M.; Shohjoh, T.; Takagi, S.] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 305, Japan. [Chujo, T.; Greene, S. V.; Holmes, M.; Maguire, C. F.; Miller, T. E.; Mukhopadhyay, D.; Ojha, I. D.; Pal, D.; Valle, H.; Velkovska, J.] Vanderbilt Univ, Nashville, TN 37235 USA. [Dubey, A. K.; Fraenkel, Z.; Kozlov, A.; Naglis, M.; Ravinovich, I.; Sharma, D.; Tserruya, I.] Weizmann Inst Sci, IL-76100 Rehovot, Israel. [Choi, I. J.; Kang, J. H.; Kim, D. J.; Kwon, Y.; Lee, M. K.; Ryu, S. S.] Yonsei Univ, Seoul 120749, South Korea. [Kametani, S.; Sakaguchi, T.] Waseda Univ, Adv Res Inst Sci & Engn, Shinjuku Ku, Tokyo 1620044, Japan. RP Afanasiev, S (reprint author), Joint Inst Nucl Res, Dubna 141980, Moscow Region, Russia. EM jacak@skipper.physics.sunysb.edu RI Taketani, Atsushi/E-1803-2017; seto, richard/G-8467-2011; Csanad, Mate/D-5960-2012; Csorgo, Tamas/I-4183-2012; YANG, BOGEUM/I-8251-2012; Semenov, Vitaliy/E-9584-2017; Dahms, Torsten/A-8453-2015; En'yo, Hideto/B-2440-2015; Hayano, Ryugo/F-7889-2012; HAMAGAKI, HIDEKI/G-4899-2014; Durum, Artur/C-3027-2014; Sorensen, Soren /K-1195-2016; Yokkaichi, Satoshi/C-6215-2017; OI Taketani, Atsushi/0000-0002-4776-2315; Dahms, Torsten/0000-0003-4274-5476; Hayano, Ryugo/0000-0002-1214-7806; Sorensen, Soren /0000-0002-5595-5643; Sullivan, John/0000-0002-9067-1531 FU DOE; NSF (USA); MEXT; JSPS (Japan); CNPq; FAPESP (Brazil); NSFC (China); IN2P3/CNRS; CEA (France); BMBF; DAAD; AvH (Germany); OTKA (Hungary); DAE (India); ISF (Israel); KRF; KOSEF (Korea); MES; RAS; FAAE (Russia); VR; KAW (Sweden); U. S. CRDF for the FSU; U. S.-Hungarian NSF-OTKA-MTA; U. S.-Israel BSF FX We thank the staff of the Collider-Accelerator and Physics Departments at BNL for their vital contributions. We acknowledge support from the Office of Nuclear Physics in DOE Office of Science and NSF (USA), MEXT and JSPS (Japan), CNPq and FAPESP (Brazil), NSFC (China), IN2P3/CNRS, and CEA (France), BMBF, DAAD, and AvH (Germany), OTKA (Hungary), DAE (India), ISF (Israel), KRF and KOSEF (Korea), MES, RAS, and FAAE (Russia), VR and KAW (Sweden), U. S. CRDF for the FSU, U. S.-Hungarian NSF-OTKA-MTA, and U. S.-Israel BSF. NR 28 TC 20 Z9 20 U1 6 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 2 PY 2009 VL 103 IS 14 AR 142301 DI 10.1103/PhysRevLett.103.142301 PG 6 WC Physics, Multidisciplinary SC Physics GA 502KR UT WOS:000270458800016 PM 19905563 ER PT J AU Ahmed, Z Akerib, DS Arrenberg, S Bailey, CN Balakishiyeva, D Baudis, L Bauer, DA Beaty, J Brink, PL Bruch, T Bunker, R Cabrera, B Caldwell, DO Cooley, J Cushman, P DeJongh, F Dragowsky, MR Duong, L Figueroa-Feliciano, E Filippini, J Fritts, M Golwala, SR Grant, DR Hall, J Hennings-Yeomans, R Hertel, S Holmgren, D Hsu, L Huber, ME Kamaev, O Kiveni, M Kos, M Leman, SW Mahapatra, R Mandic, V Moore, D McCarthy, KA Mirabolfathi, N Nelson, H Ogburn, RW Pyle, M Qiu, X Ramberg, E Rau, W Reisetter, A Saab, T Sadoulet, B Sander, J Schnee, RW Seitz, DN Serfass, B Sundqvist, KM Tarka, M Wang, G Yellin, S Yoo, J Young, BA AF Ahmed, Z. Akerib, D. S. Arrenberg, S. Bailey, C. N. Balakishiyeva, D. Baudis, L. Bauer, D. A. Beaty, J. Brink, P. L. Bruch, T. Bunker, R. Cabrera, B. Caldwell, D. O. Cooley, J. Cushman, P. DeJongh, F. Dragowsky, M. R. Duong, L. Figueroa-Feliciano, E. Filippini, J. Fritts, M. Golwala, S. R. Grant, D. R. Hall, J. Hennings-Yeomans, R. Hertel, S. Holmgren, D. Hsu, L. Huber, M. E. Kamaev, O. Kiveni, M. Kos, M. Leman, S. W. Mahapatra, R. Mandic, V. Moore, D. McCarthy, K. A. Mirabolfathi, N. Nelson, H. Ogburn, R. W. Pyle, M. Qiu, X. Ramberg, E. Rau, W. Reisetter, A. Saab, T. Sadoulet, B. Sander, J. Schnee, R. W. Seitz, D. N. Serfass, B. Sundqvist, K. M. Tarka, M. Wang, G. Yellin, S. Yoo, J. Young, B. A. CA CDMS Collaboration TI Search for Axions with the CDMS Experiment SO PHYSICAL REVIEW LETTERS LA English DT Article ID COHERENT PRIMAKOFF CONVERSION; SOLAR AXIONS; DARK-MATTER; INVARIANCE; DETECTORS AB We report on the first axion search results from the Cryogenic Dark Matter Search (CDMS) experiment at the Soudan Underground Laboratory. An energy threshold of 2 keV for electron-recoil events allows a search for possible solar axion conversion into photons or local galactic axion conversion into electrons in the germanium crystal detectors. The solar axion search sets an upper limit on the Primakov coupling g(a gamma gamma) of 2.4x10(-9) GeV(-1) at the 95% confidence level for an axion mass less than 0.1 keV/c(2). This limit benefits from the first precise measurement of the absolute crystal plane orientations in this type of experiment. The galactic axion search analysis sets a world-leading experimental upper limit on the axioelectric coupling g(aee) of 1.4x10(-12) at the 90% confidence level for an axion mass of 2.5 keV/c(2). C1 [Ahmed, Z.; Filippini, J.; Golwala, S. R.; Moore, D.; Ogburn, R. W.; Wang, G.] CALTECH, Dept Phys, Pasadena, CA 91125 USA. [Akerib, D. S.; Bailey, C. N.; Dragowsky, M. R.; Grant, D. R.; Hennings-Yeomans, R.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. [Bauer, D. A.; DeJongh, F.; Hall, J.; Holmgren, D.; Hsu, L.; Ramberg, E.; Yoo, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Sadoulet, B.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Figueroa-Feliciano, E.; Hertel, S.; Leman, S. W.; McCarthy, K. A.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Rau, W.] Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. [Reisetter, A.] St Olaf Coll, Dept Phys, Northfield, MN 55057 USA. [Young, B. A.] Santa Clara Univ, Dept Phys, Santa Clara, CA 95053 USA. [Brink, P. L.; Cabrera, B.; Cooley, J.; Ogburn, R. W.; Pyle, M.; Yellin, S.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Kiveni, M.; Kos, M.; Schnee, R. W.] Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA. [Mahapatra, R.] Texas A&M Univ, Dept Phys, College Stn, TX 93106 USA. [Filippini, J.; Mirabolfathi, N.; Sadoulet, B.; Seitz, D. N.; Serfass, B.; Sundqvist, K. M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bunker, R.; Caldwell, D. O.; Nelson, H.; Sander, J.; Yellin, S.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Huber, M. E.] Univ Colorado, Dept Phys, Denver, CO 80217 USA. [Balakishiyeva, D.; Saab, T.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Beaty, J.; Cushman, P.; Duong, L.; Fritts, M.; Kamaev, O.; Mandic, V.; Qiu, X.; Reisetter, A.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Arrenberg, S.; Baudis, L.; Bruch, T.; Tarka, M.] Univ Zurich, Inst Phys, Zurich, Switzerland. [Huber, M. E.] Univ Colorado, Dept Elect Engn, Denver, CO 80217 USA. RP Ahmed, Z (reprint author), CALTECH, Dept Phys, Pasadena, CA 91125 USA. RI Bailey, Catherine/C-6107-2009; Qiu, Xinjie/C-6164-2012; Hall, Jeter/F-6108-2013; Hall, Jeter/E-9294-2015; Yoo, Jonghee/K-8394-2016; Pyle, Matt/E-7348-2015; Huber, Martin/B-3354-2011 OI Pyle, Matt/0000-0002-3490-6754; Holmgren, Donald/0000-0001-6701-7737; Bunker, Raymond/0000-0003-2174-7632; FU National Science Foundation [AST-9978911, PHY-0542066, PHY-0503729, PHY-0503629, PHY-0503641, PHY-0504224, PHY0705052]; Department of Energy [DE-AC03-76SF00098, DE-FG02-91ER40688, DE-FG02-92ER40701, DE-FG03-90ER40569, DE-FG03-91ER40618]; Swiss National Foundation [20-118119]; NSERC Canada [SAPIN 341314-07] FX This experiment would not have been possible without the contributions of numerous engineers and technicians; we would like to especially thank Larry Novak, Richard Schmitt, and Astrid Tomada. We thank the CAST and Tokyo helioscope collaborations for providing us with their axion limits. The direction measurement of the true north in the Soudan Underground Laboratory relied on the help from the Fermilab Alignment Group. Special thanks to Virgil Bocean. This work is supported in part by the National Science Foundation (Grants No. AST-9978911, No. PHY-0542066, No. PHY-0503729, No. PHY-0503629, No. PHY-0503641, No. PHY-0504224, and No. PHY0705052), by the Department of Energy (Contracts No. DE-AC03-76SF00098, No. DE-FG02-91ER40688, No. DE-FG02-92ER40701, No. DE-FG03-90ER40569, and No. DE-FG03-91ER40618), by the Swiss National Foundation (SNF Grant No. 20-118119), and by NSERC Canada (Grant SAPIN 341314-07). NR 27 TC 42 Z9 42 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 2 PY 2009 VL 103 IS 14 AR 141802 DI 10.1103/PhysRevLett.103.141802 PG 5 WC Physics, Multidisciplinary SC Physics GA 502KR UT WOS:000270458800014 PM 19905561 ER PT J AU Hsieh, D Xia, Y Qian, D Wray, L Meier, F Dil, JH Osterwalder, J Patthey, L Fedorov, AV Lin, H Bansil, A Grauer, D Hor, YS Cava, RJ Hasan, MZ AF Hsieh, D. Xia, Y. Qian, D. Wray, L. Meier, F. Dil, J. H. Osterwalder, J. Patthey, L. Fedorov, A. V. Lin, H. Bansil, A. Grauer, D. Hor, Y. S. Cava, R. J. Hasan, M. Z. TI Observation of Time-Reversal-Protected Single-Dirac-Cone Topological-Insulator States in Bi2Te3 and Sb2Te3 SO PHYSICAL REVIEW LETTERS LA English DT Article ID SPIN TEXTURES; SURFACE AB We show that the strongly spin-orbit coupled materials Bi2Te3 and Sb2Te3 and their derivatives belong to the Z(2) topological-insulator class. Using a combination of first-principles theoretical calculations and photoemission spectroscopy, we directly show that Bi2Te3 is a large spin-orbit-induced indirect bulk band gap (delta similar to 150 meV) semiconductor whose surface is characterized by a single topological spin-Dirac cone. The electronic structure of self-doped Sb2Te3 exhibits similar Z(2) topological properties. We demonstrate that the dynamics of spin-Dirac fermions can be controlled through systematic Mn doping, making these materials classes potentially suitable for topological device applications. C1 [Hsieh, D.; Xia, Y.; Qian, D.; Wray, L.; Hasan, M. Z.] Princeton Univ, Joseph Henry Labs Phys, Princeton, NJ 08544 USA. [Meier, F.; Dil, J. H.; Patthey, L.] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. [Meier, F.; Dil, J. H.; Osterwalder, J.] Univ Zurich Irchel, Inst Phys, CH-8057 Zurich, Switzerland. [Fedorov, A. V.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Lin, H.; Bansil, A.] Northeastern Univ, Dept Phys, Boston, MA 02115 USA. [Grauer, D.; Hor, Y. S.; Cava, R. J.] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. RP Hsieh, D (reprint author), Princeton Univ, Joseph Henry Labs Phys, Princeton, NJ 08544 USA. EM mzhasan@Princeton.edu RI Grauer, David/F-2777-2011; HASAN, M. Zahid/D-8237-2012; Dil, Hugo/F-6995-2012; Qian, Dong/O-1028-2015; Lin, Hsin/F-9568-2012 OI Dil, Hugo/0000-0002-6016-6120; Lin, Hsin/0000-0002-4688-2315 FU DOE/BES [DE-FG-0205ER46200, AC03-76SF00098, DE-FG0207ER46352]; NSF [DMR-0819860]; A. P. Sloan Foundation FX The use of synchrotron x rays and theoretical computations is supported by DOE/BES (No. DE-FG-0205ER46200, No. AC03-76SF00098, and No. DE-FG0207ER46352). Materials growth is supported by NSF (No. DMR-0819860). M. Z. H. acknowledges the A. P. Sloan Foundation. NR 30 TC 454 Z9 457 U1 22 U2 210 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 2 PY 2009 VL 103 IS 14 AR 146401 DI 10.1103/PhysRevLett.103.146401 PG 4 WC Physics, Multidisciplinary SC Physics GA 502KR UT WOS:000270458800038 PM 19905585 ER PT J AU Ke, XZ Chen, CF Yang, JH Wu, LJ Zhou, J Li, Q Zhu, YM Kent, PRC AF Ke, Xuezhi Chen, Changfeng Yang, Jihui Wu, Lijun Zhou, Juan Li, Qiang Zhu, Yimei Kent, P. R. C. TI Microstructure and a Nucleation Mechanism for Nanoprecipitates in PbTe-AgSbTe2 SO PHYSICAL REVIEW LETTERS LA English DT Article ID THERMOELECTRIC-MATERIALS; SILICON NANOWIRES; AGPBMSBTE2+M; PERFORMANCE; DEVICES; MERIT AB Many recent advances in thermoelectric (TE) materials are attributed to their nanoscale constituents. Determination of the nanocomposite structures has represented a major experimental and computational challenge and eluded previous attempts. Here we present the first atomically resolved structures of high performance TE material PbTe-AgSbTe2 by transmission electron microscopy imaging and density functional theory calculations. The results establish an accurate structural characterization for PbTe-AgSbTe2 and identify the interplay of electric dipolar interactions and strain fields as the driving mechanism for nanoprecipitate nucleation and aggregation. C1 [Ke, Xuezhi; Chen, Changfeng] Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. [Ke, Xuezhi; Chen, Changfeng] Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA. [Ke, Xuezhi] E China Normal Univ, Dept Phys, Shanghai 200062, Peoples R China. [Ke, Xuezhi] E China Normal Univ, Inst Theoret Phys, Shanghai 200062, Peoples R China. [Yang, Jihui] Gen Motors R&D Ctr, Mat & Proc Lab, Warren, MI 48090 USA. [Wu, Lijun; Zhou, Juan; Li, Qiang; Zhu, Yimei] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Kent, P. R. C.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Ke, XZ (reprint author), Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. EM xzke@phy.ecnu.edu.cn; chen@physics.unlv.edu; jihui.yang@gm.com; zhu@bnl.gov RI Kent, Paul/A-6756-2008; Yang, Jihui/A-3109-2009 OI Kent, Paul/0000-0001-5539-4017; FU DOE [DE-FC52-06NA26274, DE-FC26-04NT42278, DE-AC02-98CH10886] FX We thank Markus Eisenbach, Doug Kothe, Julia White, and D. Ray Johnson for their help with the computations. This work was supported by DOE Cooperative Agreements DE-FC52-06NA26274 (X. K., C. C.) and DE-FC26-04NT42278 (J.Y.). Work at BNL was supported by the DOE Office of Science under Contract No. DE-AC02-98CH10886. This research used resources (Cray XT4) of the National Center for Computational Sciences and the Center for Nanophase Materials Sciences at ORNL, which are sponsored by the respective facilities divisions of the DOE Offices of Advanced Scientific Computing Research and Basic Energy Sciences. NR 22 TC 47 Z9 47 U1 1 U2 41 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 2 PY 2009 VL 103 IS 14 AR 145502 DI 10.1103/PhysRevLett.103.145502 PG 4 WC Physics, Multidisciplinary SC Physics GA 502KR UT WOS:000270458800033 PM 19905580 ER PT J AU Morozov, VS Chao, AW Krisch, AD Leonova, MA Raymond, RS Sivers, DW Wong, VK Kondratenko, AM AF Morozov, V. S. Chao, A. W. Krisch, A. D. Leonova, M. A. Raymond, R. S. Sivers, D. W. Wong, V. K. Kondratenko, A. M. TI Narrow Spin Resonance Width and Spin Flip with an rf-Bunched Deuteron Beam SO PHYSICAL REVIEW LETTERS LA English DT Article ID COSY; SYNCHROTRON; SCATTERING; ELECTRON; PROTONS AB We used an rf solenoid to study the widths of rf spin resonances with both bunched and unbunched beams of 1.85 GeV/c polarized deuterons stored in the COSY synchrotron. With the unbunched beam at different fixed rf-solenoid frequencies, we observed only partial depolarization near the resonance. However, the bunched beam's polarization was almost fully flipped; moreover, its resonance was much narrower. We then used Chao's recent equations to explain this behavior and to calculate the polarization's dependence on various rf-solenoid and beam parameters. Our data and calculations indicate that a bunched deuteron beam's polarization can behave as if the beam has zero momentum spread. C1 [Morozov, V. S.; Chao, A. W.; Krisch, A. D.; Leonova, M. A.; Raymond, R. S.; Sivers, D. W.; Wong, V. K.] Univ Michigan, Spin Phys Ctr, Ann Arbor, MI 48109 USA. [Kondratenko, A. M.] GOO Zaryad, Novosibirsk 630058, Russia. [Chao, A. W.] SLAC, Menlo Pk, CA 94025 USA. RP Morozov, VS (reprint author), Univ Michigan, Spin Phys Ctr, Ann Arbor, MI 48109 USA. FU German BMBF Science Ministry FX We thank COSY's staff for a successful run. We thank E. D. Courant, Ya. S. Derbenev, D. Eversheim, A. Garishvili, R. Gebel, F. Hinterberger, A. Lehrach, J. Liu, B. Lorentz, R. Maier, Yu. F. Orlov, D. Prasuhn, H. Rohdjess, T. Roser, H. Sato, A. Schnase, W. Scobel, E. J. Stephenson, H. Stockhorst, K. Ulbrich, D. Welsch, and K. Yonehara for help and advice. The work was supported by grants from the German BMBF Science Ministry and its JCHP-FFE program at COSY. NR 38 TC 3 Z9 3 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 2 PY 2009 VL 103 IS 14 AR 144801 DI 10.1103/PhysRevLett.103.144801 PG 4 WC Physics, Multidisciplinary SC Physics GA 502KR UT WOS:000270458800026 PM 19905573 ER PT J AU Robey, HF Amendt, PA Milovich, JL Park, HS Hamza, AV Bono, MJ AF Robey, H. F. Amendt, P. A. Milovich, J. L. Park, H. -S. Hamza, A. V. Bono, M. J. TI Hohlraum-Driven Mid-Z (SiO2) Double-Shell Implosions on the Omega Laser Facility and Their Scaling to NIF SO PHYSICAL REVIEW LETTERS LA English DT Article ID NATIONAL-IGNITION-FACILITY; TAYLOR INSTABILITY; MIXING TRANSITION; TARGETS; ACCELERATION; SIMULATIONS AB High-convergence, hohlraum-driven implosions of double-shell capsules using mid-Z (SiO2) inner shells have been performed on the OMEGA laser facility [T. R. Boehly , Opt. Commun. 133, 495 (1997)]. These experiments provide an essential extension of the results of previous low-Z (CH) double-shell implosions [P. A. Amendt , Phys. Rev. Lett. 94, 065004 (2005)] to materials of higher density and atomic number. Analytic modeling, supported by highly resolved 2D numerical simulations, is used to account for the yield degradation due to interfacial atomic mixing. This extended experimental database from OMEGA enables a validation of the mix model, and provides a means for quantitatively assessing the prospects for high-Z double-shell implosions on the National Ignition Facility [Paisner , Laser Focus World 30, 75 (1994)]. C1 [Robey, H. F.; Amendt, P. A.; Milovich, J. L.; Park, H. -S.; Hamza, A. V.; Bono, M. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Robey, HF (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. OI Park, Hae-Sim/0000-0003-2614-0303 NR 19 TC 5 Z9 5 U1 0 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 2 PY 2009 VL 103 IS 14 AR 145003 DI 10.1103/PhysRevLett.103.145003 PG 4 WC Physics, Multidisciplinary SC Physics GA 502KR UT WOS:000270458800030 PM 19905577 ER PT J AU Sokolov, A Aranson, IS AF Sokolov, Andrey Aranson, Igor S. TI Reduction of Viscosity in Suspension of Swimming Bacteria SO PHYSICAL REVIEW LETTERS LA English DT Article AB Measurements of the shear viscosity in suspensions of swimming Bacillus subtilis in free-standing liquid films have revealed that the viscosity can decrease by up to a factor of 7 compared to the viscosity of the same liquid without bacteria or with nonmotile bacteria. The reduction in viscosity is observed in two complementary experiments: one studying the decay of a large vortex induced by a moving probe and another measuring the viscous torque on a rotating magnetic particle immersed in the film. The viscosity depends on the concentration and swimming speed of the bacteria. C1 [Sokolov, Andrey] IIT, Chicago, IL 60616 USA. [Sokolov, Andrey; Aranson, Igor S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Sokolov, A (reprint author), IIT, 3101 S Dearborn St, Chicago, IL 60616 USA. RI Aranson, Igor/I-4060-2013 FU US DOE, Office of Basic Energy Sciences [DEAC02-06CH11357] FX This work was supported by the US DOE, Office of Basic Energy Sciences, contract DEAC02-06CH11357. NR 20 TC 135 Z9 135 U1 5 U2 33 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 2 PY 2009 VL 103 IS 14 AR 148101 DI 10.1103/PhysRevLett.103.148101 PG 4 WC Physics, Multidisciplinary SC Physics GA 502KR UT WOS:000270458800057 PM 19905604 ER PT J AU Sydorenko, D Kaganovich, I Raitses, Y Smolyakov, A AF Sydorenko, D. Kaganovich, I. Raitses, Y. Smolyakov, A. TI Breakdown of a Space Charge Limited Regime of a Sheath in a Weakly Collisional Plasma Bounded by Walls with Secondary Electron Emission SO PHYSICAL REVIEW LETTERS LA English DT Article ID HALL THRUSTER; INSTABILITY AB A new regime of plasma-wall interaction is identified in particle-in-cell simulations of a hot plasma bounded by walls with secondary electron emission. Such a plasma has a strongly non-Maxwellian electron velocity distribution function and consists of bulk plasma electrons and beams of secondary electrons. In the new regime, the plasma sheath is not in a steady space charge limited state even though the secondary electron emission produced by the plasma bulk electrons is so intense that the corresponding partial emission coefficient exceeds unity. Instead, the plasma-sheath system performs relaxation oscillations by switching quasiperiodically between the space charge limited and non-space-charge limited states. C1 [Sydorenko, D.; Smolyakov, A.] Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada. [Kaganovich, I.; Raitses, Y.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Sydorenko, D (reprint author), Univ Alberta, Edmonton, AB T6G 2G7, Canada. FU AFOSR; US-Israel BSF FX This work was partially supported by the AFOSR and US-Israel BSF. Authors acknowledge fruitful discussions with A. V. Khrabrov, V. I. Demidov, and Ya. E. Krasik. NR 21 TC 27 Z9 28 U1 1 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 2 PY 2009 VL 103 IS 14 AR 145004 DI 10.1103/PhysRevLett.103.145004 PG 4 WC Physics, Multidisciplinary SC Physics GA 502KR UT WOS:000270458800031 PM 19905578 ER PT J AU Yoshida, S Reinhold, CO Burgdorfer, J Dunning, FB AF Yoshida, S. Reinhold, C. O. Burgdoerfer, J. Dunning, F. B. TI Comment on "Nondispersing Bohr Wave Packets" SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material AB A Comment on the Letter by H. Maeda, J. H. Gurian, and T. F. Gallagher, [Phys. Rev. Lett. 102, 103001 (2009)]. The authors of the Letter offer a Reply. C1 [Yoshida, S.; Burgdoerfer, J.] Vienna Univ Technol, Inst Theoret Phys, A-1040 Vienna, Austria. [Reinhold, C. O.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Reinhold, C. O.; Burgdoerfer, J.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. [Dunning, F. B.] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. RP Yoshida, S (reprint author), Vienna Univ Technol, Inst Theoret Phys, A-1040 Vienna, Austria. OI Reinhold, Carlos/0000-0003-0100-4962 NR 4 TC 2 Z9 2 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 2 PY 2009 VL 103 IS 14 AR 149301 DI 10.1103/PhysRevLett.103.149301 PG 1 WC Physics, Multidisciplinary SC Physics GA 502KR UT WOS:000270458800061 PM 19905608 ER PT J AU WoldeGabriel, G Ambrose, SH Barboni, D Bonnefille, R Bremond, L Currie, B DeGusta, D Hart, WK Murray, AM Renne, PR Jolly-Saad, MC Stewart, KM White, TD AF WoldeGabriel, Giday Ambrose, Stanley H. Barboni, Doris Bonnefille, Raymonde Bremond, Laurent Currie, Brian DeGusta, David Hart, William K. Murray, Alison M. Renne, Paul R. Jolly-Saad, M. C. Stewart, Kathlyn M. White, Tim D. TI The Geological, Isotopic, Botanical, Invertebrate, and Lower Vertebrate Surroundings of Ardipithecus ramidus SO SCIENCE LA English DT Article ID AFRICA; CARBON; KENYA; AUSTRALOPITHECUS; CLASSIFICATION; ASSEMBLAGES; VEGETATION; RESOLUTION; PALEOSOLS; ECOSYSTEM AB Sediments containing Ardipithecus ramidus were deposited 4.4 million years ago on an alluvial floodplain in Ethiopia's western Afar rift. The Lower Aramis Member hominid-bearing unit, now exposed across a >9-kilometer structural arc, is sandwiched between two volcanic tuffs that have nearly identical (40)Ar/(39)Ar ages. Geological data presented here, along with floral, invertebrate, and vertebrate paleontological and taphonomic evidence associated with the hominids, suggest that they occupied a wooded biotope over the western three-fourths of the paleotransect. Phytoliths and oxygen and carbon stable isotopes of pedogenic carbonates provide evidence of humid cool woodlands with a grassy substrate. C1 [WoldeGabriel, Giday] Los Alamos Natl Lab, Earth Environm Sci Div, Los Alamos, NM 87545 USA. [Ambrose, Stanley H.] Univ Illinois, Dept Anthropol, Urbana, IL 61801 USA. [Barboni, Doris; Bonnefille, Raymonde] Univ Aix Marseille, CNRS, MR6635, CEREGE, F-13545 Aix En Provence, France. [Bremond, Laurent] Univ Montpellier 2, CNRS, EPHE, Ctr Bioarchaeol & Ecol,UMR5059,Inst Bot, F-34090 Montpellier, France. [Currie, Brian; Hart, William K.] Miami Univ, Dept Geol, Oxford, OH 45056 USA. [DeGusta, David] Stanford Univ, Dept Anthropol, Stanford, CA 94305 USA. [Murray, Alison M.] Univ Alberta, Dept Biol Sci, Edmonton, AB T6G 2E9, Canada. [Renne, Paul R.] Berkeley Geochronol Ctr, Berkeley, CA 94709 USA. [Renne, Paul R.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Jolly-Saad, M. C.] Univ Paris Ouest La Def, Ctr Henri Elhai, F-92001 Nanterre, France. [Stewart, Kathlyn M.] Canadian Museum Nat, Ottawa, ON K1P 6P4, Canada. [White, Tim D.] Univ Calif Berkeley, Human Evolut Res Ctr, Berkeley, CA 94720 USA. [White, Tim D.] Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA. RP WoldeGabriel, G (reprint author), Los Alamos Natl Lab, Earth Environm Sci Div, POB 1663, Los Alamos, NM 87545 USA. EM wgiday@lanl.gov; timwhite@berkeley.edu RI Barboni, Doris/A-6908-2010; Murray, Alison/L-5242-2013 OI Barboni, Doris/0000-0001-7753-1254; Murray, Alison/0000-0001-9648-2902 FU NSF [8210897, 9318698, 9512534, 9632389, 9910344, 0321893]; Institute of Geophysics and Planetary Physics of the University of California at Los Alamos National Laboratory (LANL); Philip and Elaina Hampton Fund for Faculty International Initiatives at Miami University FX Supported by NSF grants 8210897, 9318698, 9512534, 9632389, 9910344, and 0321893 HOMINID-RHOI; the Institute of Geophysics and Planetary Physics of the University of California at Los Alamos National Laboratory (LANL); and the Philip and Elaina Hampton Fund for Faculty International Initiatives at Miami University. The Earth and Environmental Sciences Division Electron Microprobe laboratory at LANL assisted with access and use. We thank G. Curtis for fieldwork, insight, and inspiration; M. Pickford, H. Hutchinson, and W. Shear for gastropod, chelonian, and millipede identifications, respectively; M. Buchet and X. Prasad for pollen preparations and microscopic observations; M. Duperon-Laudouaneix and J. Duperon for identification of fossil wood; K. Brudvik and H. Gilbert for illustrations; J. Quade, N. Levin, and S. Semaw for discussion and comparative data; the Ministry of Tourism and Culture, the Authority for Research and Conservation of the Cultural Heritage, and the National Museum of Ethiopia for permissions and facilitation; and the Afar Regional Government, the Afar people of the Middle Awash, and many other field workers for contributing directly to the research efforts. NR 32 TC 37 Z9 37 U1 3 U2 21 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD OCT 2 PY 2009 VL 326 IS 5949 DI 10.1126/science.1175817 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 501CA UT WOS:000270355600033 ER PT J AU Pluth, MD Bergman, RG Raymond, KN AF Pluth, Michael D. Bergman, Robert G. Raymond, Kenneth N. TI Proton-Mediated Chemistry and Catalysis in a Self-Assembled Supramolecular Host SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID BASIC SOLUTION; MOLECULAR RECOGNITION; BETA-CYCLODEXTRIN; PK(A) SHIFTS; ORTHOFORMATE HYDROLYSIS; SYNTHETIC RECEPTOR; ARTIFICIAL ENZYMES; STABILIZATION; ENCAPSULATION; WATER AB Synthetic supramolecular host assemblies can impart unique reactivity to encapsulated guest molecules. Synthetic host molecules have been developed to carry out complex reactions within their cavities, despite the fact that they lack the type of specifically tailored functional groups normally located in the analogous active sites of enzymes. Over the past decade, the Raymond group has developed a series of self-assembled supramolecules and the Bergman group, has developed and studied a number of catalytic transformations. In this Account, we detail recent collaborative work between these two groups, focusing on chemical catalysis stemming from the encapsulation of protonated guests and expanding to acid catalysis in basic solution. We initially investigated the ability of a water-soluble, self-assembled supramolecular host molecule to encapsulate protonated guests in its hydrophobic core. Our study of encapsulated protonated amines revealed rich host-guest chemistry. We established that self-exchange (that is, in-out guest movement) rates of protonated amines were dependent on the steric bulk of the amine rather than its basicity. The host molecule has purely rotational tetrahedral (T) symmetry, so guests with geminal N-methyl groups (and their attendant mirror plane) were effectively desymmetrized; this allowed for the observation and quantification of the barriers for nitrogen inversion followed by bond rotation. Furthermore, small nitrogen heterocycles, such as N-alkylaziridines, N-alkylazetidines, and N-alkylpyrrolidines, were found to be encapsulated as proton-bound homodimers or homotrimers. We further investigated the thermodynamic stabilization of protonated amines, showing that encapsulation makes the amines more basic in the cavity. Encapsulation raises the effective basicity of protonated amines by up to 4.5 pK(a) units, a difference almost as large as that between the moderate and strong bases carbonate and hydroxide. The thermodynamic stabilization of protonated guests was translated into chemical catalysis by taking advantage of the potential for accelerating reactions that take place via positively charged transition states, which could be potentially stabilized by encapsulation. Orthoformates, generally stable in neutral or basic solution, were found to be suitable substrates for catalytic hydrolysis by the assembly. Orthoformates small enough to undergo encapsulation were readily hydrolyzed by the assembly in basic solution, with rate acceleration factors up to 3900 compared with those of the corresponding uncatalyzed reactions. Furthering the analogy to enzymes that obey Michaelis-Menten kinetics, we observed competitive inhibition with the inhibitor NPr(4)(+), thereby confirming that the interior cavity of the assembly was the active site for catalysis. Mechanistic studies revealed that the assembly is required for catalysis and that the rate-limiting step of the reaction involves proton transfer from hydronium to the encapsulated substrate. Encapsulation in the assembly changes the orthoformate hydrolysis from an A-1 mechanism (in which decomposition of the protonated substrate is the rate-limiting step) to an A-S(E)2 mechanism (in which proton transfer is the rate-limiting step). The study of hydrolysis in the assembly was next extended to acetals, which were also catalytically hydrolyzed by the assembly in basic solution. Acetal hydrolysis changed from the A-1 mechanism in solution to an A-2 mechanism inside the assembly, where attack of water on the protonated substrate is rate limiting. This work provides rare examples of assembly-catalyzed reactions that proceed with substantial rate accelerations despite the absence of functional groups in the cavity and with mechanisms fully elucidated by quantitative kinetic studies. C1 [Bergman, Robert G.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Bergman, RG (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM rbergman@berkeley.edu; raymond@socrates.berkeley.edu RI Pluth, Michael/A-7222-2012 OI Pluth, Michael/0000-0003-3604-653X FU Director, Office of Science, Office of Basic Energy Sciences; Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy [DE-AC02-05CH11231]; NSF FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, and the Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL under Contract No. DE-AC02-05CH11231 and a NSF predoctoral fellowship to M. D.P. NR 48 TC 364 Z9 364 U1 20 U2 142 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0001-4842 J9 ACCOUNTS CHEM RES JI Accounts Chem. Res. PD OCT PY 2009 VL 42 IS 10 BP 1650 EP 1659 DI 10.1021/ar900118t PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 509RF UT WOS:000271035200018 PM 19591461 ER PT J AU Ashcraft, E Ji, HN Mays, J Dadmun, M AF Ashcraft, Earl Ji, Haining Mays, Jimmy Dadmun, Mark TI A Novel Reactive Processing Technique: Using Telechelic Polymers To Reactively Compatibilize Polymer Blends SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE polymer blend; interfacial modification; compatibilization; telechelic; multiblock copolymer; coalescence; coarsening constant; plasticization ID BLOCK-COPOLYMERS; ANIONIC SYNTHESIS; MULTIBLOCK COPOLYMERS; MOLECULAR-WEIGHT; POLYSTYRENE/POLY(DIMETHYLSILOXANE) BLENDS; DROPLET COALESCENCE; SOLID SUBSTRATE; DISPERSED PHASE; INTERFACE; KINETICS AB Difunctional reactive polymers, telechelics, were used to reactively form multiblock copolymers in situ when melt-blended with a blend of polystyrene and polyisoprene To quantify the ability of the copolymer to compatibilize the blends, the time evolution of the domain size upon annealing was analyzed by SEM It was found that the most effective parameter to quantify the ability of the copolymer to inhibit droplet coalescence is K(rel/stable), the relative coarsening constant multiplied by the stabilization time These results indicate that intermediate-molecular-weight telechelic pairs of both highly reactive Anhydride-PS-Anhydride/NH(2)-PI-NH(2) and slower reacting Epoxy-PS-Epoxy/COOH-PI-COOH both effectively suppress coalescence, with the optimal molecular weight being slightly above the critical molecular weight of the homopolymer. M(c) The effects Of telechelic loading were also investigated, where the optimal loading concentration for this system was 0 5 wt %, as higher concentrations exhibited a plasticizing effect due to the presence of unreacted low-molecular-weight telechelics present in the blend A determination of the interfacial coverage of the copolymer shows that a conversion of similar to 15-30 % was required for 20 % surface coverage at 5.0 wt % telechelic loading, indicating a large excess of telechelics in this system At the optimal loading level of 0.5 wt %, a conversion of 15 % was required for 20 % surface coverage The results of these experiments provide a clear understanding of the role of telechelic loading and molecular weight on its ability to reactively form interfacial modifiers in phase-separated polymer blends and provide guidelines for the development of similar reactive processing schemes that can use telechelic polymers to reactively compatibilize a broad range of polymer blends C1 [Ashcraft, Earl; Ji, Haining; Mays, Jimmy; Dadmun, Mark] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Mays, Jimmy; Dadmun, Mark] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Dadmun, M (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. OI Dadmun, Mark/0000-0003-4304-6087 FU National Science Foundation Collaborative Research in Chemistry [CHE0304807] FX We thank the National Science Foundation Collaborative Research in Chemistry (Grant No. CHE0304807) for financial support, which funded this research NR 49 TC 7 Z9 8 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD OCT PY 2009 VL 1 IS 10 BP 2163 EP 2173 DI 10.1021/am900333y PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 510QH UT WOS:000271105000014 PM 20355850 ER PT J AU Luo, GM Zhang, Q Del Castillo, AR Urban, V O'Neill, H AF Luo, Guangming Zhang, Qiu Del Castillo, Alexis Rae Urban, Volker O'Neill, Hugh TI Characterization of Sol-Gel-Encapsulated Proteins Using Small-Angle Neutron Scattering SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE sol-gel; enzyme; protein entrapment; small-angle neutron scattering; protein conformation ID GREEN FLUORESCENT PROTEIN; SILICA-GELS; X-RAY; GLASSES; MATRIX; GFP AB Entrapment of biomolecules in silica-derived sol-gels has grown into a vibrant area of research since it was originally demonstrated However, accessing the consequences of entrapment on biomolecules and the gel structure remains a major challenge in characterizing these biohybrid materials. We present the first demonstration that it is possible With small-angle neutron scattering (SANS) to study the conformation of dilute proteins that are entrapped in transparent and dense sol-gels Using deuterium-labeled green fluorescent protein (GFP) and SANS with contrast variation, we demonstrate that the scattering signatures of the sol-gel and the protein can be separated Analysis of the scattering curves of the sol-gels using a mass-fractal model shows that the size OF the colloidal silica particles and the fractal dimensions of the gels were similar in the absence and presence of protein, demonstrating that GFP did not influence the reaction pathway for the formation of the gel. The major structural difference in the gels was that the pore size was increased 2-fold in the presence of the protein At the contrast match point for silica, the scattering signal from GFP inside the gel became distinguishable over a wide q range. Simulated scattering curves representing a monomer. end-to-end dimer, and parallel dimer of the protein were calculated and compared to the experimental data. Our results show that the most likely structure of GFP is that of an end-to-end dimer This approach can be readily applied and holds great potential for the structural characterization of complex biohybrid and other materials C1 [Luo, Guangming; Zhang, Qiu; Del Castillo, Alexis Rae; Urban, Volker; O'Neill, Hugh] Oak Ridge Natl Lab, Ctr Struct Mol Biol, Div Chem Sci, Oak Ridge, TN 37831 USA. [Zhang, Qiu] Oak Ridge Natl Lab, Biodeuterat Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Urban, V (reprint author), Oak Ridge Natl Lab, Ctr Struct Mol Biol, Div Chem Sci, Oak Ridge, TN 37831 USA. RI Urban, Volker/N-5361-2015; OI Urban, Volker/0000-0002-7962-3408; O'Neill, Hugh/0000-0003-2966-5527 FU U S Department of Energy (DOE) [DEAC05-000R22725]; DOE Science Undergraduate Laboratory Internship FX We thank Dr. Sat Venkatesh Pingali for assistance with data collection, Dr Ken Littrell for development of the SANS data reduction software, and Dr Dean Myles for his support on this project This research was sponsored by the Laboratory Directed Research and Development Prograrn of Oak Ridge National Laboratory (ORNL) and by the Office of Biological and Environmental Research, using facilities supported by the U S Department of Energy (DOE), managed by UT-Battelle, LLC, under Contract DEAC05-000R22725 A R D C was supported by a DOE Science Undergraduate Laboratory Internship managed by Oak Ridge Institute of Science and Education NR 33 TC 18 Z9 18 U1 0 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD OCT PY 2009 VL 1 IS 10 BP 2262 EP 2268 DI 10.1021/am900430v PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 510QH UT WOS:000271105000025 PM 20355861 ER PT J AU Meredig, B Salleo, A Gee, R AF Meredig, Bryce Salleo, Alberto Gee, Richard TI Ordering of Poly(3-hexylthiophene) Nanocrystallites on the Basis of Substrate Surface Energy SO ACS NANO LA English DT Article DE OTFT; P3HT; morphology; ordering; molecular dynamics; OTS; substrate ID THIN-FILM TRANSISTORS; FIELD-EFFECT TRANSISTORS; CHARGE-TRANSPORT; MOLECULAR-WEIGHT; EFFECT MOBILITY; REGIOREGULAR POLYTHIOPHENE; MONOLAYER FILMS; PERFORMANCE; ENHANCEMENT; INTERFACES AB Molecular dynamics simulations are used to study the influence of functionalized substrates on the orientation of poly(3-hexylthiophene) (P3HT) nanocrystallites, which in turn plays a critical role in P3HT-based transistor performance. The effects of alkyl-trichlorosilane self-assembled monolayer packing density, packing order, and end-group functionality are independently investigated. Across these factors, the potential energy surface presented by the substrate to the P3HT molecules is determined to be the main driver of P3HT ordering. Surprisingly, disordered substrates with a smoothly varying potential energy landscape are found to encourage edge-on P3HT orientation while highly ordered substrates have undesirable potential energy wells that reduce the edge-on orientation of P3HT because of substrate-side-chain interactions. C1 [Meredig, Bryce; Gee, Richard] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Salleo, Alberto] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. RP Gee, R (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM gee10@llnl.gov FU U.S. Department of Energy [DE-AC52-07NA27344]; National Science Foundation FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. A.S. acknowledges funding from the National Science Foundation, Career Award. NR 36 TC 39 Z9 39 U1 4 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD OCT PY 2009 VL 3 IS 10 BP 2881 EP 2886 DI 10.1021/nn800707z PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 510QR UT WOS:000271106100005 PM 19746953 ER PT J AU Subramanian, A Alt, AR Dong, LX Kratochvil, BE Bolognesi, CR Nelson, BJ AF Subramanian, Arunkumar Alt, Andreas R. Dong, Lixin Kratochvil, Bradley E. Bolognesi, Colombo R. Nelson, Bradley J. TI Electrostatic Actuation and Electromechanical Switching Behavior of One-Dimensional Nanostructures SO ACS NANO LA English DT Article DE carbon nanotubes; nanoelectromechanical systems; electrostatic actuation; pull-in GAP; shell engineering ID CARBON NANOTUBES; FABRICATION; DEPOSITION; NANOWIRES; NANORELAY; ARRAYS AB We report on the electromechanical actuation and switching performance of nanoconstructs involving doubly clamped, Individual multiwalled carbon nanotubes. Batch-fabricated, three-state switches with low ON-state voltage (6.7 V average) are demonstrated. A nanoassembly architecture that permits individual probing of one device at a time without crosstalk from other nanotubes, which are originally assembled in parallel, is presented. Experimental investigations into device performance metrics such as hysteresis, repeatability and failure modes are presented, Furthermore, current-driven shell etching is demonstrated as a tool to tune the nanomechanical clamping configuration, stiffness, and actuation voltage of fabricated devices. Computational models, which take Into account the nonlinearities induced by stress-stiffening of 1-D nanowires at large deformations, are presented. Apart from providing accurate estimates of device performance, these models provide new insights into the extension of stable travel range in electrostatically actuated nanowire-based constructs as compared to their microscale counterparts. C1 [Subramanian, Arunkumar; Dong, Lixin; Kratochvil, Bradley E.; Nelson, Bradley J.] ETH, Inst Robot & Intelligent Syst, CH-8092 Zurich, Switzerland. [Subramanian, Arunkumar] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Alt, Andreas R.; Bolognesi, Colombo R.] ETH, THz Elect Grp, Lab Electromagnet Fields & Microwave Elect IfH, CH-8092 Zurich, Switzerland. [Dong, Lixin] Michigan State Univ, E Lansing, MI 48824 USA. RP Subramanian, A (reprint author), ETH, Inst Robot & Intelligent Syst, CH-8092 Zurich, Switzerland. EM asubram@sandia.gov; bnelson@ethz.ch RI Dong, Lixin/B-3115-2008; Nelson, Bradley/B-7761-2013 OI Dong, Lixin/0000-0002-8816-4944; Nelson, Bradley/0000-0001-9070-6987 NR 39 TC 10 Z9 10 U1 3 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD OCT PY 2009 VL 3 IS 10 BP 2953 EP 2964 DI 10.1021/nn900436x PG 12 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 510QR UT WOS:000271106100012 PM 19739601 ER PT J AU Alayoglu, S Zavalij, P Eichhorn, B Wang, Q Frenkel, AI Chupas, P AF Alayoglu, Selim Zavalij, Peter Eichhorn, Bryan Wang, Qi Frenkel, Anatoly I. Chupas, Peter TI Structural and Architectural Evaluation of Bimetallic Nanoparticles: A Case Study of Pt-Ru Core-Shell and Alloy Nanoparticles SO ACS NANO LA English DT Article DE core-shell; nanoparticles; EXAFS; catalysts; structure-property relationships ID RAY-ABSORPTION SPECTROSCOPY; METAL-SURFACES; REACTIVITY; OXIDATION; CLUSTERS; NANOCRYSTALS; DIFFRACTION; SCATTERING; CATALYSTS; GROWTH AB A comprehensive structural/architectural evaluation of the PtRu (1:1) alloy and Ru@Pt core-shell nanoparticles (NPs) provides spatially resolved structural information on sub-5 nm NPs. A combination of extended X-ray absorption fine structure (EXAFS), X-ray absorption near edge structure (XANES), pair distribution function (PDF) analyses, Debye function simulations of X-ray diffraction (XRD), and field emission transmission electron microscopy/energy dispersive spectroscopy (FE-TEM/EDS) analyses provides complementary information used to construct a detailed picture of the core/shell and alloy nanostructures. The 4.4 nm PtRu (1:1) alloys are crystalline homogeneous random alloys with little twinning in a typical face-centered cubic (fcc) cell. The Pt atoms are predominantly metallic, whereas the Ru atoms are partially oxidized and are presumably located on the NP surface. The 4.0 nm Ru@Pt NPs have highly distorted hcp Ru cores that are primarily in the metallic state but show little order beyond 8 A. In contrast, the 1-2 monolayer thick Pt shells are relatively crystalline but are slightly distorted (compressed) relative to bulk fcc Pt. The homo- and heterometallic coordination numbers and bond lengths are equal to those predicted by the model cluster structure, showing that the Ru and Pt metals remain phase-separated in the core and shell components and that the interface between the core and shell is quite normal. C1 [Alayoglu, Selim; Zavalij, Peter; Eichhorn, Bryan] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA. [Wang, Qi; Frenkel, Anatoly I.] Yeshiva Univ, Dept Phys, New York, NY 10016 USA. [Chupas, Peter] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Eichhorn, B (reprint author), Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA. EM eichhorn@umd.edu RI Frenkel, Anatoly/D-3311-2011; Wang, Qi/C-5478-2012; Zavalij, Peter/H-3817-2012 OI Frenkel, Anatoly/0000-0002-5451-1207; Zavalij, Peter/0000-0001-5762-3469 FU National Science Foundation [CHE0401850]; DOE HFI program [DE-FG02-05ER15731]; U.S. Department of Energy [DE-FG02-03ER15476, DE-AC02-98CH10886, DE-FG02-05ER15688, DE-AC02-06CH11357]; NSF MRI [0619191]; Synchrotron Catalysis Consortium FX This material is based upon work supported by the National Science Foundation under Grant No. CHE0401850 and the DOE HFI program, Grant No. DE-FG02-05ER15731, A.I.F. and Q.W. acknowledge support by grant from the U.S. Department of Energy (DE-FG02-03ER15476). We thank Dr. Wen-An Chou and Mr. Larry Lai for assistance with TEM data collection and gratefully acknowledge the NSF MRI for funding through grant 0619191. We also acknowledge Dr. B. Toby at the Advanced Photon Source at Argonne National Laboratory for XRD data collection. Use of the NSLS was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Beamline X18B at the NSLS is supported in part by the Synchrotron Catalysis Consortium, U.S. Department of Energy Grant No. DE-FG02-05ER15688. The use of the APS was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 49 TC 117 Z9 117 U1 15 U2 129 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD OCT PY 2009 VL 3 IS 10 BP 3127 EP 3137 DI 10.1021/nn900242v PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 510QR UT WOS:000271106100036 PM 19731934 ER PT J AU Tesfai, A El-Zahab, B Kelley, AT Li, M Garno, JC Baker, GA Warner, IM AF Tesfai, Aaron El-Zahab, Bilal Kelley, Algernon T. Li, Min Garno, Jayne C. Baker, Gary A. Warner, Isiah M. TI Magnetic and Nonmagnetic Nanoparticles from a Group of Uniform Materials Based on Organic Salts SO ACS NANO LA English DT Article DE nanosynthesis; emulsion; molten salt; ionic liquids; GUMBOS; reverse micelles; magnetic nanoparticles ID TEMPERATURE IONIC LIQUIDS; OXIDE NANOPARTICLES; REVERSE MICELLES; SURFACE; EXTRACTION; PARTICLES; SOLVENTS; NANORODS; FLUIDS AB The size and uniformity of magnetic nanoparticles developed from a group of uniform materials based on organic salts (GUMBOS) were controlled using an in situ ion exchange, water-in-oil (w/o) microemulsion preparation. Most of these nanoGUMBOS are in fact ionic liquids (i.e., melting points less than 100 degrees C), while others have melting points above the conventional 100 degrees C demarcation. Simple variations in the reagent concentrations following a w/o approach allowed us to smoothly and predictably vary nanoparticle dimensions across a significant size regime with excellent uniformity. Average sizes of GUMBOS particles ranging from 14 to 198 nm were achieved by manipulation of the reagent concentration, for example. Controllable formation of this new breed of nanoparticles is Important for numerous potential applications and will open up interesting new opportunities in drug delivery, magnetic resonance imaging, and protein separations, among other areas. C1 [Tesfai, Aaron; El-Zahab, Bilal; Kelley, Algernon T.; Li, Min; Garno, Jayne C.; Warner, Isiah M.] Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA. [Baker, Gary A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Warner, IM (reprint author), Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA. EM iwarner@lsu.edu RI El-Zahab, Bilal/A-2588-2010; LI, MIN/C-2427-2008; kistner, kharol/E-6849-2010; Baker, Gary/H-9444-2016; OI Baker, Gary/0000-0002-3052-7730; El-Zahab, Bilal/0000-0003-4348-807X FU National Science Foundation; National Institutes of Health; Philip W. West Endowment FX I.M.W. acknowledges the National Science Foundation, the National Institutes of Health, and the Philip W. West Endowment for support of this work. The authors thank Dr. John F. DiTusa for assistance in the SQUID measurements, and Sergio de Rooy for technical assistance. NR 40 TC 29 Z9 29 U1 3 U2 43 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD OCT PY 2009 VL 3 IS 10 BP 3244 EP 3250 DI 10.1021/nn900781g PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 510QR UT WOS:000271106100050 PM 19780529 ER PT J AU Pantano, A Nardelli, MB AF Pantano, A. Nardelli, M. Buongiorno TI Simulation of the Electromechanical Behavior of Multiwall Carbon Nanotubes SO ACS NANO LA English DT Article DE carbon nanotubes; mechanical deformation; electron transport; finite element; tight-binding ID MECHANICAL DEFORMATION; ELECTRICAL-PROPERTIES; SINGLE-WALL; CONDUCTANCE; DEVICES AB The enormous potential of carbon nanotubes (CNTs) as primary components in electronic devices and NEMS necessitates the understanding and predicting of the effects of mechanical deformation on electron transport in CNTs. In principle, detailed atomic/electronic calculations can provide both the deformed configuration and the resulting electrical transport behavior of the CNT. However, the computational expense of these simulations limits the size of the CNTs that can be studied with this technique, and a direct analysis of CNTs of the dimension used in nanoelectronic devices seems prohibitive at the present. Here a computationally effective mixed finite element (FE)/tight-binding (TB) approach able to simulate the electromechanical behavior of CNT devices is presented, The TB code is carefully designed to realize orders-of-magnitude reduction in computational time in calculating deformation-induced changes In electrical transport properties of the nanotubes. The FE-TB computational approach is validated in a simulation of laboratory experiments on a multiwall CNT and then used to demonstrate the role of the multiwall structure in providing robustness to conductivity in the event of imposed mechanical deformations. C1 [Pantano, A.] Univ Palermo, Dipartimento Meccan, I-90128 Palermo, Italy. [Nardelli, M. Buongiorno] N Carolina State Univ, Ctr High Performance Simulat, Raleigh, NC 27695 USA. [Nardelli, M. Buongiorno] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. [Nardelli, M. Buongiorno] Oak Ridge Natl Lab, CCS CSM, Oak Ridge, TN 37831 USA. RP Pantano, A (reprint author), Univ Palermo, Dipartimento Meccan, Viale Sci, I-90128 Palermo, Italy. EM apantano@dima.unipa.it; mbnardelli@ncsu.edu RI Buongiorno Nardelli, Marco/C-9089-2009 FU Ministero dell'Universita e della Ricerca "Rientro del Cervelli"; AFOSR DURINT [F49620-01-1-0477]; Math. Inform. and Comput. Sci. Division, Office of Adv. Sci. Comp. Res. of the U.S. Dept. of Energy [DE-AC05-00OR22725]; DOE-SC; NSF-NIRT [DMR-0304299] FX This research was funded by the Ministero dell'Universita e della Ricerca "Rientro del Cervelli" funding, and in part by the AFOSR DURINT Contract No. F49620-01-1-0477. M.B.N. wishes to acknowledge the Math. Inform. and Comput. Sci. Division, Office of Adv. Sci. Comp. Res. of the U.S. Dept. of Energy under Contract No. DE-AC05-00OR22725 with UT-Battelle, the DOE-SC grant, the NSF-NIRT Grant DMR-0304299, and for partial support of this work. NR 35 TC 6 Z9 6 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD OCT PY 2009 VL 3 IS 10 BP 3266 EP 3272 DI 10.1021/nn900795n PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 510QR UT WOS:000271106100053 PM 19772304 ER PT J AU Kors, CA Wallace, E Davies, DR Li, L Laible, PD Nollert, P AF Kors, Christopher A. Wallace, Ellen Davies, Douglas R. Li, Liang Laible, Philip D. Nollert, Peter TI Effects of impurities on membrane-protein crystallization in different systems SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID PHOTOSYNTHETIC REACTION-CENTER; CYTOCHROME-C-OXIDASE; LIPIDIC CUBIC PHASES; X-RAY-DIFFRACTION; RHODOBACTER-SPHAEROIDES; ANGSTROM RESOLUTION; CRYSTAL-STRUCTURE; REACTION CENTERS; SARCOPLASMIC-RETICULUM; MACROMOLECULAR IMPURITIES AB When starting a protein-crystallization project, scientists are faced with several unknowns. Amongst them are these questions: (i) is the purity of the starting material sufficient? and (ii) which type of crystallization experiment is the most promising to conduct? The difficulty in purifying active membrane-protein samples for crystallization trials and the high costs associated with producing such samples require an extremely pragmatic approach. Additionally, practical guidelines are needed to increase the efficiency of membrane-protein crystallization. In order to address these conundrums, the effects of commonly encountered impurities on various membrane-protein crystallization regimes have been investigated and it was found that the lipidic cubic phase (LCP) based crystallization methodology is more robust than crystallization in detergent environments using vapor diffusion or microbatch approaches in its ability to tolerate contamination in the forms of protein, lipid or other general membrane components. LCP-based crystallizations produced crystals of the photosynthetic reaction center (RC) of Rhodobacter sphaeroides from samples with substantial levels of residual impurities. Crystals were obtained with protein contamination levels of up to 50% and the addition of lipid material and membrane fragments to pure samples of RC had little effect on the number or on the quality of crystals obtained in LCP-based crystallization screens. If generally applicable, this tolerance for impurities may avoid the need for samples of ultrahigh purity when undertaking initial crystallization screening trials to determine preliminary crystallization conditions that can be optimized for a given target protein. C1 [Wallace, Ellen; Davies, Douglas R.; Nollert, Peter] DeCODE Biostruct, Bainbridge Isl, WA 98110 USA. [Kors, Christopher A.; Laible, Philip D.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Li, Liang] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Li, Liang] Univ Chicago, Inst Biophys Dynam, Chicago, IL 60637 USA. RP Nollert, P (reprint author), DeCODE Biostruct, 7869 NE Day Rd W, Bainbridge Isl, WA 98110 USA. EM pnollert@decode.com FU NIH [P01 GM075913]; University of Chicago/Argonne National Laboratory (ANL); University of Chicago; Department of Energy [DE-AC02-06CH11357] FX The authors would like to thank Scott Lovell for assistance with the crystal diffraction data collection, Hui Li for assistance with operation and programming of the Mosquito crystallization robot and Donna Mielke and Deborah Hanson for critical reading of the manuscript. This work was funded by the NIH Roadmap grant P01 GM075913 and a University of Chicago/Argonne National Laboratory (ANL) collaborative research award. This work was also supported by the University of Chicago and the Department of Energy under section H. 35 of Department of Energy Contract No. DE-AC02-06CH11357 to UChicago Argonne LLC to manage Argonne National Laboratory. NR 82 TC 16 Z9 16 U1 0 U2 6 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD OCT PY 2009 VL 65 BP 1062 EP 1073 DI 10.1107/S0907444909029163 PG 12 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 494UY UT WOS:000269845500006 PM 19770503 ER PT J AU Moriarty, NW Grosse-Kunstleve, RW Adams, PD AF Moriarty, Nigel W. Grosse-Kunstleve, Ralf W. Adams, Paul D. TI electronic Ligand Builder and Optimization Workbench (eLBOW): a tool for ligand coordinate and restraint generation SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID MOLECULAR-ORBITAL METHODS; CONVERGENCE ACCELERATION; STRUCTURE VALIDATION; GEOMETRIES; COMPLEXES; AM1; CRYSTALLOGRAPHY; REFINEMENT; ALGORITHMS; SOFTWARE AB The electronic Ligand Builder and Optimization Workbench (eLBOW) is a program module of the PHENIX suite of computational crystallographic software. It is designed to be a flexible procedure that uses simple and fast quantum-chemical techniques to provide chemically accurate information for novel and known ligands alike. A variety of input formats and options allow the attainment of a number of diverse goals including geometry optimization and generation of restraints. C1 [Moriarty, Nigel W.; Grosse-Kunstleve, Ralf W.; Adams, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Moriarty, NW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd,Mailstop 64R0246, Berkeley, CA 94720 USA. EM nwmoriarty@lbl.gov RI Adams, Paul/A-1977-2013 OI Adams, Paul/0000-0001-9333-8219 FU NIH-NIGMS [P01GM063210]; US Department of Energy [AC02-05CH11231] FX The authors would like to thank James J. P. Stewart for his assistance with details of the AM1 semi-empirical method and Odon Farkas for his assistance with the DIIS method for geometry optimization. Thanks are also expressed to Rick Muller, the author of PyQuante, for his contributions and accommodations, and Herb Klei for his extensive testing and feedback. We acknowledge financial support from NIH-NIGMS under grant No. P01GM063210 and support from the US Department of Energy under Contract No. DE AC02-05CH11231. NR 39 TC 202 Z9 202 U1 3 U2 10 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD OCT PY 2009 VL 65 BP 1074 EP 1080 DI 10.1107/S0907444909029436 PG 7 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 494UY UT WOS:000269845500007 PM 19770504 ER PT J AU Li, L Ungar, T Wang, YD Morris, JR Tichy, G Lendvai, J Yang, YL Ren, Y Choo, H Liaw, PK AF Li, L. Ungar, T. Wang, Y. D. Morris, J. R. Tichy, G. Lendvai, J. Yang, Y. L. Ren, Y. Choo, H. Liaw, P. K. TI Microstructure evolution during cold rolling in a nanocrystalline Ni-Fe alloy determined by synchrotron X-ray diffraction SO ACTA MATERIALIA LA English DT Article DE Nanocrystalline; Grain growth; Detwinning; X-ray line-profile analysis; Far-from-equilibrium state ID STACKING-FAULT ENERGY; GRAIN-GROWTH; PLASTIC-DEFORMATION; DISLOCATION-STRUCTURE; PROFILE ANALYSIS; THIN-FILMS; METALS; NICKEL; SIZE; TEMPERATURE AB Stress softening after cold rolling is observed in an electrodeposited nanocrystalline Ni-Fe alloy. The grain-size distribution becomes much broader after the cold rolling. Microstructure changes, though moderate, such as simultaneously decreased dislocation and twin densities with grain growth during cold rolling, are systematically proved by synchrotron high-energy X-ray diffraction, transmission electron microscopy and differential scanning calorimetry (DSC). The amorphous fractions in the form of grain boundaries are evidenced by the diffuse-background scatterings and large DSC values. Partial dislocation separation calculation, a dislocation mean free path and annihilation model, and texture development together reveal that the current nanocrystalline Ni-Fe alloy exhibits the combined behavior of perfect dislocation slip and grain-boundary mediated deformation. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Li, L.; Morris, J. R.; Choo, H.; Liaw, P. K.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Ungar, T.; Tichy, G.; Lendvai, J.] Eotvos Lorand Univ, Dept Mat Phys, H-1518 Budapest, Hungary. [Wang, Y. D.] Beijing Inst Technol, Sch Mat Sci & Engn, Beijing 100081, Peoples R China. [Morris, J. R.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Ren, Y.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Yang, Y. L.] Jiangxi Acad Sci, Inst Appl Phys, Nanchang 330029, Peoples R China. RP Liaw, PK (reprint author), Univ Tennessee, Dept Mat Sci & Engn, 427-B Dougherty Engn Hall, Knoxville, TN 37996 USA. EM pliaw@utk.edu RI ran, shi/G-9380-2013; wang, yandong/G-9404-2013; Choo, Hahn/A-5494-2009; Lendvai, Janos/J-4445-2013; Morris, J/I-4452-2012 OI Choo, Hahn/0000-0002-8006-8907; Morris, J/0000-0002-8464-9047 FU US Department of Energy, Office of Science, and Office of Basic Energy Science [DE-AC02-06CH11357]; National Science Foundation (NSF) [DMR-0231320]; Hungarian National Science Foundation [67692, 71594]; National Natural Science Foundation of China [50725102]; Ministry of Education in China; Division of Materials Sciences and Engineering, the US Department of Energy [DE-AC0500OR22725] FX The authors are grateful to A.O. Kovacs for his kind assistance in carrying out DSC measurements, and to Dr. H.Q. Li for his kind discussion before the publication. The use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, and Office of Basic Energy Science, under Contract No. DE-AC02-06CH11357. The present work was supported by the National Science Foundation (NSF) International Materials Institutes (IMI) program (DMR-0231320). T.U. and J.L. are grateful to the Hungarian National Science Foundation (OTKA #67692 and #71594) for supporting this work. Y.D.W. is grateful to the National Natural Science Foundation of China (Grant No. 50725102) and the Ministry of Education in China for supporting this work. J.R.M. acknowledges support by the Division of Materials Sciences and Engineering, the US Department of Energy under Contract No. DE-AC0500OR22725 with UT-Battelle, LLC. NR 58 TC 43 Z9 44 U1 2 U2 37 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD OCT PY 2009 VL 57 IS 17 BP 4988 EP 5000 DI 10.1016/j.actamat.2009.07.002 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 505JZ UT WOS:000270691000006 ER PT J AU Worsley, MA Pauzauskie, PJ Kucheyev, SO Zaug, JM Hamza, AV Satcher, JH Baumann, TF AF Worsley, Marcus A. Pauzauskie, Peter J. Kucheyev, Sergei O. Zaug, Joseph M. Hamza, Alex V. Satcher, Joe H., Jr. Baumann, Theodore F. TI Properties of single-walled carbon nanotube-based aerogels as a function of nanotube loading SO ACTA MATERIALIA LA English DT Article DE Sol-gel; Raman spectroscopy; Electrical resistivity/conductivity; Nanocomposite; Porous material ID ORGANIC AEROGELS; COMPOSITES; CONDUCTIVITY; FORMALDEHYDE; RESORCINOL AB Here, we present the synthesis and characterization of low-density single-walled carbon nanotube-based aerogels (SWNT-CA). Aerogels with varying nanotube loading (0-55 wt.%) and density (20-350 mg cm(-3)) were fabricated and characterized by four-probe method, electron microscopy, Raman spectroscopy and nitrogen porosimetry. Several properties of the SANT-CAs were highly dependent upon nanotube loading. At nanotube loadings of 55 wt.%, shrinkage of the aerogel monoliths during carbonization and drying was almost completely eliminated. Electrical conductivities are improved by an order of magnitude for the SWNT-CA (55 wt.% nanotubes) compared to those of foams without nanotubes. Surface areas as high as 184 m(2) g(-1) were achieved for SWNT-CAs with greater than 20 wt.% nanotube loading. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Worsley, Marcus A.; Pauzauskie, Peter J.; Kucheyev, Sergei O.; Zaug, Joseph M.; Hamza, Alex V.; Satcher, Joe H., Jr.; Baumann, Theodore F.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. RP Worsley, MA (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 East Ave, Livermore, CA 94550 USA. EM worsley1@llnl.gov RI Pauzauskie, Peter/A-1316-2014; Worsley, Marcus/G-2382-2014 OI Worsley, Marcus/0000-0002-8012-7727 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; DOE Office of Energy Efficiency and Renewable Energy FX This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and funded by the DOE Office of Energy Efficiency and Renewable Energy. NR 29 TC 36 Z9 36 U1 4 U2 62 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD OCT PY 2009 VL 57 IS 17 BP 5131 EP 5136 DI 10.1016/j.actamat.2009.07.012 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 505JZ UT WOS:000270691000019 ER PT J AU Xiong, YH Hofmeister, WH Cheng, Z Smugeresky, JE Lavernia, EJ Schoenung, JM AF Xiong, Yuhong Hofmeister, William H. Cheng, Zhao Smugeresky, John E. Lavernia, Enrique J. Schoenung, Julie M. TI In situ thermal imaging and three-dimensional finite element modeling of tungsten carbide-cobalt during laser deposition SO ACTA MATERIALIA LA English DT Article DE Thermal imaging; Finite element modeling; WC-Co; Laser engineered net shaping ID DIRECT METAL-DEPOSITION; WC-CO; FABRICATION; COMPOSITES; LENS; MICROSTRUCTURE; BEHAVIOR; POWDER AB Laser deposition is being used for the fabrication of net shapes from a broad range of materials, including tungsten carbide-cobalt (WC-Co) cermets (composites composed of a metallic phase and a hard refractory phase). During deposition, an unusual thermal condition is created for cermets, resulting in rather complex microstructures. To provide a fundamental insight into the evolution of such microstructures, we studied the thermal behavior of WC-Co cermets during laser deposition involving complementary results from in situ high-speed thermal imaging and three-dimensional finite element modeling. The former allowed for the characterization of temperature gradients and cooling rates in the vicinity of the molten pool, whereas the latter allowed for simulation of the entire sample. By combining the two methods, a more robust analysis of the thermal behavior was achieved. The model and the imaging results correlate well with each other and with the alternating sublayers observed in the microstructure. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Xiong, Yuhong; Lavernia, Enrique J.; Schoenung, Julie M.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Hofmeister, William H.] Univ Tennessee, Inst Space, Ctr Laser Applicat, Tullahoma, TN 37388 USA. [Cheng, Zhao] Earth Mech Inc, Oakland, CA 94621 USA. [Smugeresky, John E.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Schoenung, JM (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. EM jmschoenung@ucdavis.edu RI Lavernia, Enrique/I-6472-2013; OI Lavernia, Enrique/0000-0003-2124-8964; Hofmeister, William/0000-0002-4145-7061 FU United States National Science Foundation [DMI-0423695]; United States Department of Energy [DE-AC0494AL85000] FX This paper is based upon work supported by the United States National Science Foundation under Grant No. DMI-0423695. Work by Sandia is supported by the United States Department of Energy under contract DE-AC0494AL85000. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy. The authors would like to thank Professor Jean-Pierre Delplanque at UC Davis for suggestions on the modeling work, and Dr. Baolong Zheng and Mr. Jonathan Nguyen at UC Davis for assistance with the laboratory work. NR 38 TC 16 Z9 16 U1 4 U2 28 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD OCT PY 2009 VL 57 IS 18 BP 5419 EP 5429 DI 10.1016/j.actamat.2009.07.038 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 513TJ UT WOS:000271346100012 ER PT J AU Brown, TL Saldana, C Murthy, TG Mann, JB Guo, Y Allard, LF King, AH Compton, WD Trumble, KP Chandrasekar, S AF Brown, Travis L. Saldana, Christopher Murthy, Tejas G. Mann, James B. Guo, Yang Allard, Larry F. King, Alexander H. Compton, W. Dale Trumble, Kevin P. Chandrasekar, Srinivasan TI A study of the interactive effects of strain, strain rate and temperature in severe plastic deformation of copper SO ACTA MATERIALIA LA English DT Article DE Severe plastic deformation; High speed deformation; Dynamic recrystallization; Copper; Ultrafine grained microstructure ID NANOSTRUCTURED METAL; REFINEMENT; EVOLUTION AB The deformation field in machining was controlled to access a range of deformation parameters-strains of 1-15, strain rates of 10-100,000 s(-1) and temperatures of up to 0.4 T(m)-in the severe plastic deformation (SPD) of copper. This range is far wider than has been accessed to date in conventional SPD methods, enabling a study of the interactive effects of the parameters on microstructure and strength properties. Nano-twinning was demonstrated at strain rates as small as 1000 s(-1) at -196 degrees C and at strain rates of >= 10,000 s(-1) even when the deformation temperature was well above room temperature. Bi-modal grain structures were produced in a single stage of deformation through in situ partial dynamic recrystallization. The SPD conditions for engineering specific microstructures by deformation rate control are presented in the form of maps, both in deformation parameter space and in terms of the Zener-Hollomon parameter. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Brown, Travis L.; Saldana, Christopher; Murthy, Tejas G.; Mann, James B.; Guo, Yang; Compton, W. Dale; Chandrasekar, Srinivasan] Purdue Univ, Sch Ind Engn, Ctr Mat Proc & Tribol, W Lafayette, IN 47907 USA. [Allard, Larry F.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [King, Alexander H.] Ames Lab, Ames, IA 50011 USA. [Trumble, Kevin P.] Purdue Univ, Sch Mat Engn, Ctr Mat Proc & Tribol, W Lafayette, IN 47907 USA. RP Chandrasekar, S (reprint author), Purdue Univ, Sch Ind Engn, Ctr Mat Proc & Tribol, W Lafayette, IN 47907 USA. EM chandy@purdue.edu RI King, Alexander/B-3148-2012; King, Alexander/P-6497-2015 OI King, Alexander/0000-0001-9677-3769; King, Alexander/0000-0001-7101-6585 FU NSF [CMMI-0626047, CMMI-MPM-0800481]; Department of Energy; Ford University Research Program; US Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program FX This work was supported in part by NSF Grants CMMI-0626047 and CMMI-MPM-0800481, the Department of Energy, a Ford University Research Program award and an NSF Graduate Research Fellowship (to CS). Microscopy work at the Oak Ridge National Laboratory's High Temperature Materials Laboratory was sponsored by the US Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. NR 33 TC 48 Z9 50 U1 1 U2 34 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD OCT PY 2009 VL 57 IS 18 BP 5491 EP 5500 DI 10.1016/j.actamat.2009.07.052 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 513TJ UT WOS:000271346100018 ER PT J AU Jeffries, JR Blobaum, KJM Schwartz, AJ AF Jeffries, J. R. Blobaum, K. J. M. Schwartz, A. J. TI On the potential for vacancy annihilation as a mechanism for conditioning in Pu-1.9 at.% Ga SO ACTA MATERIALIA LA English DT Article DE Plutonium; Phase transformation; Vacancies ID QUENCHED-IN VACANCIES; MARTENSITIC TRANSFORMATIONS; ALLOYS; PHASE; KINETICS; PLUTONIUM AB The delta -> alpha' martensitic transformation in Pu-1.9 at.% Ga occurs when the alloy is cooled below about -100 degrees C. This transformation is isothermal and exhibits a remarkable susceptibility to an ambient-temperature isothermal hold (referred to as conditioning) prior to the transformation. This "conditioning" effect can dramatically increase the amount of transformation that occurs at low temperature, however, the mechanism by which conditioning affects the delta -> alpha' transformation is not known. This conditioning effect may be a more general phenomenon, and thus knowledge of the mechanism responsible for conditioning is of great importance to understanding the delta -> alpha' transformation itself as well as the general circumstances that can affect martensitic phase transformations. Using differential scanning calorimetry measurements, vacancy annihilation as a mechanism for the conditioning effect has been examined. While there are some characteristics of the conditioning effect that are reminiscent of vacancy annihilation, the results of these experiments suggest that vacancy annihilation is not a likely candidate description for the conditioning effect. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Jeffries, J. R.; Blobaum, K. J. M.; Schwartz, A. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Jeffries, JR (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-350, Livermore, CA 94550 USA. EM jeffries4@llnl.gov FU US Department of Energy, National Nuclear Security Administration [DE-AC52-07NA27344]; Laboratory Directed Research and Development [07-ERD-047] FX We thank M.E. Manley, K.T. Moore, and C.A. Marianetti for useful discussions. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the US Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344. This work was funded through Laboratory Directed Research and Development under project tracking code 07-ERD-047. NR 31 TC 2 Z9 2 U1 3 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD OCT PY 2009 VL 57 IS 18 BP 5512 EP 5520 DI 10.1016/j.actamat.2009.07.050 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 513TJ UT WOS:000271346100020 ER PT J AU Wang, J Hirth, JP Tome, CN AF Wang, J. Hirth, J. P. Tome, C. N. TI ((1)over-bar0 1 2) Twinning nucleation mechanisms in hexagonal-close-packed crystals SO ACTA MATERIALIA LA English DT Article DE Twinning; Dislocation; Magnesium; Molecular dynamics ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; HCP METALS; COMPUTER-SIMULATION; DISLOCATIONS; INTERFACES; DEFECTS; CRYSTALLOGRAPHY; MAGNESIUM; ZIRCONIUM AB Mechanisms for ((1) over bar 0 1 2) twinning in hexagonal-close-packed crystals at an atomic scale were studied using topological analysis and atomistic simulations. Two twinning mechanisms were found: a normal-twinning mechanism in which a stable twin nucleus is created by simultaneous nucleation of multiple twinning dislocations; and a zonal-twinning mechanism in which a stable twin nucleus is created by simultaneous nucleation of a partial dislocation and multiple twinning dislocations. The twinning direction, dependent on the ratio of lattice parameters c/a, is along [1 0 (1) over bar 1] when c/a < root 3, but along the opposite direction when c/a > root 3. Atomistic simulations, using density function theory for Mg, Zr and Zn and an empirical potential for Mg, were performed to study the kinetics and energetics associated with the two twinning mechanisms. The results show that the zonal-twinning mechanism is energetically favorable relative to the normal-twinning mechanism, because the zonal dislocation has a smaller Burgers vector. Published by Elsevier Ltd on behalf of Acta Materialia Inc. C1 [Wang, J.; Hirth, J. P.; Tome, C. N.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Wang, J (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM wangj6@lanl.gov RI Tome, Carlos/D-5058-2013; Wang, Jian/F-2669-2012 OI Wang, Jian/0000-0001-5130-300X FU US Department of Energy, Office of Basic Energy Sciences [FWP-06SCPE401] FX This work was supported by the US Department of Energy, Office of Basic Energy Sciences (Project No: FWP-06SCPE401). NR 38 TC 132 Z9 133 U1 9 U2 99 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD OCT PY 2009 VL 57 IS 18 BP 5521 EP 5530 DI 10.1016/j.actamat.2009.07.047 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 513TJ UT WOS:000271346100021 ER PT J AU Vukmirovic, N Indjin, D Ikonic, Z Harrison, P AF Vukmirovic, N. Indjin, D. Ikonic, Z. Harrison, P. TI Quantum Dots as Sources and Detectors of Mid- and Far-Infrared Radiation: Theoretical Models SO ACTA PHYSICA POLONICA A LA English DT Article; Proceedings Paper CT International School and Conference on Photonics (PHOTONICA09) CY AUG 24-28, 2009 CL Belgrade, SERBIA ID INTRABAND ABSORPTION; ELECTRONIC-STRUCTURE; SEMICONDUCTOR-LASER; CASCADE LASER; PHOTODETECTORS; ELECTROLUMINESCENCE; SUPERLATTICES; TRANSPORT AB We present a review of theoretical methods used to study the electronic structure, optical and transport properties of intraband optoelectronic devices based on self-assembled quantum dots. C1 [Vukmirovic, N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. [Indjin, D.; Ikonic, Z.; Harrison, P.] Univ Leeds, Sch Elect & Elect Engn, Leeds, W Yorkshire, England. RP Vukmirovic, N (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. EM NVukmirovic@lbl.gov RI Vukmirovic, Nenad/D-9489-2011 OI Vukmirovic, Nenad/0000-0002-4101-1713 NR 35 TC 6 Z9 6 U1 0 U2 0 PU POLISH ACAD SCIENCES INST PHYSICS PI WARSAW PA AL LOTNIKOW 32-46, PL-02-668 WARSAW, POLAND SN 0587-4246 EI 1898-794X J9 ACTA PHYS POL A JI Acta Phys. Pol. A PD OCT PY 2009 VL 116 IS 4 BP 464 EP 467 PG 4 WC Physics, Multidisciplinary SC Physics GA 526TR UT WOS:000272317700006 ER PT J AU Chinn, RE AF Chinn, Richard E. TI HARDNESS, BEARINGS, AND THE ROCKWELLS SO ADVANCED MATERIALS & PROCESSES LA English DT Article C1 Natl Energy Technol Lab, US Dept Energy, Albany, OR 97321 USA. RP Chinn, RE (reprint author), Natl Energy Technol Lab, US Dept Energy, 1450 Queen Ave SW, Albany, OR 97321 USA. EM richard.chinn@netl.doe.gov NR 0 TC 1 Z9 1 U1 0 U2 2 PU ASM INT PI MATERIALS PARK PA SUBSCRIPTIONS SPECIALIST CUSTOMER SERVICE, MATERIALS PARK, OH 44073-0002 USA SN 0882-7958 J9 ADV MATER PROCESS JI Adv. Mater. Process. PD OCT PY 2009 VL 167 IS 10 BP 29 EP 31 PG 3 WC Materials Science, Multidisciplinary SC Materials Science GA 514LV UT WOS:000271397100005 ER PT J AU Stacy, SC Pantoya, ML Prentice, DJ Steffler, ED Daniels, MA AF Stacy, Shawn C. Pantoya, Michelle L. Prentice, Daniel J. Steffler, Eric D. Daniels, Michael A. TI NANOCOMPOSITES FOR UNDERWATER DEFLAGRATION SO ADVANCED MATERIALS & PROCESSES LA English DT Article C1 [Pantoya, Michelle L.] Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA. [Prentice, Daniel J.; Steffler, Eric D.; Daniels, Michael A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Pantoya, ML (reprint author), Texas Tech Univ, Dept Mech Engn, Lubbock, TX 79409 USA. EM michelle.pantoya@ttu.edu FU Idaho National Laboratory (INL); Army Researdn Office [W911NF-04-1-0217] FX The authors acknowledge technical and financial assistance for this work provided by Idaho National Laboratory (INL). INL is a multiprogram laboratory operated by Battelle Energy Alliance for the United States Department of Energy. M. Pantoya gratefully acknowledges partial support of this work by the Army Researdn Office under contract number W911NF-04-1-0217 and Dr. Ralph Anthenien. NR 0 TC 6 Z9 6 U1 1 U2 7 PU ASM INT PI MATERIALS PARK PA SUBSCRIPTIONS SPECIALIST CUSTOMER SERVICE, MATERIALS PARK, OH 44073-0002 USA SN 0882-7958 J9 ADV MATER PROCESS JI Adv. Mater. Process. PD OCT PY 2009 VL 167 IS 10 BP 33 EP 35 PG 3 WC Materials Science, Multidisciplinary SC Materials Science GA 514LV UT WOS:000271397100006 ER PT J AU Bollt, EM Chartrand, R Esedoglu, S Schultz, P Vixie, KR AF Bollt, Erik M. Chartrand, Rick Esedoglu, Selim Schultz, Pete Vixie, Kevin R. TI Graduated adaptive image denoising: local compromise between total variation and isotropic diffusion SO ADVANCES IN COMPUTATIONAL MATHEMATICS LA English DT Article DE Graduated adaptive image denoising; Total variation; Isotropic diffusion ID RESTORATION AB We introduce variants of the variational image denoising method proposed by Blomgren et al. (In: Numerical Analysis 1999 (Dundee), pp. 43-67. Chapman & Hall, Boca Raton, FL, 2000), which interpolates between total-variation denoising and isotropic diffusion denoising. We study how parameter choices affect results and allow tuning between TV denoising and isotropic diffusion for respecting texture on one spatial scale while denoising features assumed to be noise on finer spatial scales. Furthermore, we prove existence and (where appropriate) uniqueness of minimizers. We consider both L (2) and L (1) data fidelity terms. C1 [Bollt, Erik M.] Clarkson Univ, Potsdam, NY 13699 USA. [Chartrand, Rick; Schultz, Pete; Vixie, Kevin R.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Esedoglu, Selim] Univ Michigan, Dept Math, Ann Arbor, MI 48109 USA. RP Bollt, EM (reprint author), Clarkson Univ, POB 5815, Potsdam, NY 13699 USA. EM bolltem@clarkson.edu OI Chartrand, Rick/0000-0003-3256-2238 FU Department of Energy [W-7405-ENG-36]; NSF [DMS-0410085] FX The work of the third and fifth authors was funded by the Department of Energy under contract W-7405-ENG-36. The work of the fourth author was supported by NSF grant DMS-0410085. NR 13 TC 24 Z9 24 U1 1 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1019-7168 J9 ADV COMPUT MATH JI Adv. Comput. Math. PD OCT PY 2009 VL 31 IS 1-3 BP 61 EP 85 DI 10.1007/s10444-008-9082-7 PG 25 WC Mathematics, Applied SC Mathematics GA 453VX UT WOS:000266642100004 ER PT J AU Fox, A Williams, M Richardson, AD Cameron, D Gove, JH Quaife, T Ricciuto, D Reichstein, M Tomelleri, E Trudinger, CM Van Wijk, MT AF Fox, Andrew Williams, Mathew Richardson, Andrew D. Cameron, David Gove, Jeffrey H. Quaife, Tristan Ricciuto, Daniel Reichstein, Markus Tomelleri, Enrico Trudinger, Cathy M. Van Wijk, Mark T. TI The REFLEX project: Comparing different algorithms and implementations for the inversion of a terrestrial ecosystem model against eddy covariance data SO AGRICULTURAL AND FOREST METEOROLOGY LA English DT Article DE Data assimilation; Metropolis; Carbon cycle; Ecosystem modelling; Monte Carlo; Kalman filter; Eddy covariance; REFLEX project; Parameter optimisation; Confidence intervals ID PARAMETER-ESTIMATION; DATA ASSIMILATION; CARBON-DIOXIDE; UNCERTAINTY; CLIMATE; FOREST; PRODUCTIVITY; VARIABILITY; SIMULATION; FEEDBACKS AB We describe a model-data fusion (MDF) inter-comparison project (REFLEX), which compared various algorithms for estimating carbon (C) model parameters consistent with both measured carbon fluxes and states and a simple C model. Participants were provided with the model and with both synthetic net ecosystem exchange (NEE) of CO(2) and leaf area index(LAI) data, generated from the model with added noise, and observed NEE and LAI data from two eddy covariance sites. Participants endeavoured to estimate model parameters and states consistent with the model for all cases over the two years for which data were provided, and generate predictions for one additional year without observations. Nine participants contributed results using Metropolis algorithms, Kalman filters and a genetic algorithm. For the synthetic data case, parameter estimates compared well with the true values. The results of the analyses indicated that parameters linked directly to gross primary production (GPP) and ecosystem respiration, such as those related to foliage allocation and turnover, or temperature sensitivity of heterotrophic respiration, were best constrained and characterised. Poorly estimated parameters were those related to the allocation to and turnover of fine root/wood pools. Estimates of confidence intervals varied among algorithms, but several algorithms successfully located the true values of annual fluxes from synthetic experiments within relatively narrow 90% confidence intervals, achieving >80% success rate and mean NEE confidence intervals < 110 gC m(-2) year(-1) for the synthetic case. Annual C flux estimates generated by participants generally agreed with gap-filling approaches using half-hourly data. The estimation of ecosystem respiration and GPP through MDF agreed well with outputs from partitioning studies using half-hourly data. Confidence limits on annual NEE increased by an average of 88% in the prediction year compared to the previous year, when data were available. Confidence intervals on annual NEE increased by 30% when observed data were used instead of synthetic data, reflecting and quantifying the addition of model error. Finally, our analyses indicated that incorporating additional constraints, using data on C pools (wood, soil and fine roots) would help to reduce uncertainties for model parameters poorly served by eddy covariance data. (C) 2009 Elsevier B.V. All rights reserved. C1 [Williams, Mathew] Univ Edinburgh, Sch Geosci, Ctr Terr Carbon Dynam, Edinburgh, Midlothian, Scotland. [Fox, Andrew] Univ Sheffield, Sch Appl Maths, Ctr Terr Carbon Dynam, Sheffield, S Yorkshire, England. [Richardson, Andrew D.] Univ New Hampshire, Complex Syst Res Ctr, Durham, NH 03824 USA. [Cameron, David] Ctr Ecol & Hydrol, Penicuik, Midlothian, Scotland. [Gove, Jeffrey H.] US Forest Serv, USDA, No Res Stn, Durham, NH USA. [Quaife, Tristan] UCL, Dept Geog, Ctr Terr Carbon Dynam, London, England. [Ricciuto, Daniel] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Reichstein, Markus; Tomelleri, Enrico] Max Planck Inst Biogeochem, Jena, Germany. [Trudinger, Cathy M.] CSIRO Marine & Atmospher Res, Ctr Australian Weather & Climate Res, Aspendale, Vic, Australia. [Van Wijk, Mark T.] Wageningen Univ, Wageningen, Netherlands. RP Williams, M (reprint author), Univ Edinburgh, Sch Geosci, Ctr Terr Carbon Dynam, Edinburgh, Midlothian, Scotland. EM mat.williams@ed.ac.uk RI Trudinger, Cathy/A-2532-2008; Quaife, Tristan/C-1355-2008; Reichstein, Markus/A-7494-2011; Richardson, Andrew/F-5691-2011; Cook, Bruce/M-4828-2013; Williams, Mathew/G-6140-2016; Ricciuto, Daniel/I-3659-2016 OI van Wijk, Mark/0000-0003-0728-8839; Trudinger, Cathy/0000-0002-4844-2153; Quaife, Tristan/0000-0001-6896-4613; Reichstein, Markus/0000-0001-5736-1112; Richardson, Andrew/0000-0002-0148-6714; Cook, Bruce/0000-0002-8528-000X; Williams, Mathew/0000-0001-6117-5208; Ricciuto, Daniel/0000-0002-3668-3021 NR 37 TC 60 Z9 60 U1 2 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1923 J9 AGR FOREST METEOROL JI Agric. For. Meteorol. PD OCT 1 PY 2009 VL 149 IS 10 BP 1597 EP 1615 DI 10.1016/j.agrformet.2009.05.002 PG 19 WC Agronomy; Forestry; Meteorology & Atmospheric Sciences SC Agriculture; Forestry; Meteorology & Atmospheric Sciences GA 488UX UT WOS:000269376900004 ER PT J AU Huang, DD Foley, BT Tolzmann, CA Ouma, A Bremer, JW AF Huang, Diana D. Foley, Brian T. Tolzmann, Catlin A. Ouma, Annastasia Bremer, James W. TI Complex Mosaic Composition of Near Full-Length Genomes of Two NED (NIH-ENVA-DOD) Subtype Panel HIV Type 1 Strains, BCF-Dioum and BCF-Kita, Originating from the Democratic Republic of Congo (DRC) SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Article ID MAXIMUM-LIKELIHOOD; RECOMBINANT; IDENTIFICATION; SEQUENCES; AFRICA AB Sequence characterization of the near full-length genomes of HIV-1 isolates BCF-Dioum and BCF-Kita, originating from the Democratic Republic of Congo (DRC), was continued. These NED panel isolates, contributed by F. Brun-Vezinet (ENVA-France), were first identified as subtypes G and H, respectively. Our earlier analyses of portions of their pol genes showed that both were likely to be intersubtype recombinants of different composition. This study analyzed the remainder of each genome, confirming them to be complex recombinants. The BCF-Dioum genome resembles CRF06_cpx strains found in West Africa, composed of subtypes A/G/J/K. The BCF-Kita genome is a unique complex recombinant A-F-G-H-K-U strain. These data support previous observations of the complexity of strains originating from the DRC. BCF-Dioum may be a suitable strain for standards and reagents since it matches a defined circulating recombinant form. Studies and reagents made from BCF-Kita should take into account its complex genome. C1 [Huang, Diana D.; Tolzmann, Catlin A.; Ouma, Annastasia; Bremer, James W.] Rush Med Coll, Dept Immunol Microbiol, Chicago, IL 60612 USA. [Foley, Brian T.] Los Alamos Natl Lab, HIV Sequence Database, Theoret Biol & Biophys Grp T6, Los Alamos, NM 87545 USA. RP Huang, DD (reprint author), Rush Med Coll, Dept Immunol Microbiol, 1653 W Congress Pkwy, Chicago, IL 60612 USA. EM diana_huang@rush.edu OI Foley, Brian/0000-0002-1086-0296 FU NIAID [NO1-AI85354, HHSN266200500044C/NO1-AI-50044.] FX This work was supported by NIAID contract NO1-AI85354 and HHSN266200500044C/NO1-AI-50044. NR 18 TC 1 Z9 1 U1 0 U2 0 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD OCT PY 2009 VL 25 IS 10 BP 1039 EP 1043 DI 10.1089/aid.2009.0078 PG 5 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 508SQ UT WOS:000270956200013 PM 19795987 ER PT J AU Fawcett, SE Gordon, RA Jamieson, HE AF Fawcett, Skya E. Gordon, Robert A. Jamieson, Heather E. TI Optimizing experimental design, overcoming challenges, and gaining valuable information from the Sb K-edge XANES region SO AMERICAN MINERALOGIST LA English DT Article DE Antimony; XANES; high-energy XAS; linear combination fitting; sulfosalt ID RAY-ABSORPTION SPECTROSCOPY; CRYSTAL-STRUCTURE; ARSENIC SPECIATION; QUANTITATIVE SPECIATION; ENVIRONMENTAL-SAMPLES; ANTIMONY DISTRIBUTION; XAFS DETERMINATION; CONTAMINATED SOIL; FINE-STRUCTURE; CHEMICAL FORM AB There are many challenges associated with collecting, processing, and interpreting high-energy XAS data. The most significant of these are broad spectra, minimal separation of edge positions, and high background owing to the Compton tail. Studies of the Sb system are a particular challenge owing to its complex bonding character and formation of mixed oxidation-state minerals. Furthermore, in environmental samples such as stream sediment containing mine waste, different Sb phases may coexist. Ways to overcome these challenges and achieve accurate and useful information are presented. Our investigations used Sb K-edge X-ray absorption near-edge spectroscopy (XANES) to elucidate Sb geochemical behavior. Several Sb mineral spectra are presented, including Sb sulfosalts, and contrasted based on the different hosting and coordination environments around the Sb atom in the crystal structure. These comparisons lead to the recognition of how the different hosting and coordination environments are manifested in the shape of the Sb mineral spectra. In fact from the shape of the spectra, the occupation of the Sb atom in a single or in multiple crystallographic sites, regardless of whether multiple phases are present in the sample, is discernible. Furthermore, we demonstrate that quantitative information can be derived from the XANES region using linear combination fitting of the derivative spectra, rather than the energy spectra. Particularly useful to the advancement of Sb research is the demonstration that a significant amount of information can be gained from the Sb K-edge XANES region. C1 [Fawcett, Skya E.; Jamieson, Heather E.] Queens Univ, Dept Geol Sci & Geol Engn, Kingston, ON K7L 3N6, Canada. [Gordon, Robert A.] Simon Fraser Univ, Argonne, IL 60439 USA. [Gordon, Robert A.] Argonne Natl Lab, Adv Photon Source, PNC XOR, Argonne, IL 60439 USA. RP Fawcett, SE (reprint author), Lorax Environm, Vancouver, BC V6J 3H9, Canada. EM sfawcett@lorax.ca FU U.S. Department Energy [DE-AC02-06CH11357]; NSERC; Mineralogical Association of Canada FX PNC/XOR facilities at the Advanced Photon Source, and research at these facilities, are supported by the U.S. Department of Energy-Basic Energy Sciences, a major facilities access grain from NSERC, the University of Washington, Simon Fraser University, and the Advanced Photon Source. Use of the Advanced Photon Source is also supported by the U.S. Department Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. This study was partly funded through the NSERC Northern Research Internship and by the Mineralogical Association of Canada. We thank the Giant Mine Remediation Team for site access and kindly support. Ron Peterson of Queen's University provided helpful discussions on Sb mineralogy and offered technical assistance. NR 67 TC 6 Z9 6 U1 3 U2 15 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X J9 AM MINERAL JI Am. Miner. PD OCT PY 2009 VL 94 IS 10 BP 1377 EP 1387 DI 10.2138/am.2009.3112 PG 11 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 504EU UT WOS:000270599200009 ER PT J AU Shvartsburg, AA Tang, KQ Smith, RD Holden, M Rush, M Thompson, A Toutoungi, D AF Shvartsburg, Alexandre A. Tang, Keqi Smith, Richard D. Holden, Martin Rush, Martyn Thompson, Andrew Toutoungi, Danielle TI Ultrafast Differential Ion Mobility Spectrometry at Extreme Electric Fields Coupled to Mass Spectrometry SO ANALYTICAL CHEMISTRY LA English DT Article ID GAS-PHASE SEPARATIONS; ESI-FAIMS-MS; TRYPTIC PEPTIDES; IONIZATION; TIME; TEMPERATURE; CONFORMERS; FRAGMENTATION; SENSITIVITY; RESOLUTION AB Microchip-based field asymmetric waveform ion mobility spectrometry (FAIMS) analyzers featuring a grid of 35 mu m-wide channels have allowed electric field intensity (E) over 60 kV/cm, or about twice that in previous devices with >0.5 mm gaps. Since the separation speed scales as E(4) to E(6), these chips filter ions in just similar to 20 mu s (or similar to 100-10 000 times faster than "macroscopic" designs), although with reduced resolution. Here we report integration of these chips into electrospray ionization (ESI) mass spectrometry, with ESI coupled to FAIMS via a curtain plate/orifice interface with edgewise ion injection into the gap. Adjusting gas flows in the system permits control of ion residence time in FAIMS, which affects resolving power independently of ion desolvation after the ESI source. The results agree with a priori simulations and scaling rules. Applications illustrated include analyses of amino acids and peptides. Because of limited resolving power, the present FAIMS units are more suitable for distinguishing compound classes than individual species. In particular, peptides separate from many other classes, including PEGs that are commonly encountered in proteomic analyses. In practical analyses with realistic time constraints, the effective separation power of present FAIMS may approach that of "macroscopic" systems. C1 [Shvartsburg, Alexandre A.; Tang, Keqi; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Holden, Martin; Rush, Martyn; Thompson, Andrew; Toutoungi, Danielle] Owlstone Ltd, Cambridge CB4 0GD, England. RP Shvartsburg, AA (reprint author), Pacific NW Natl Lab, Div Biol Sci, POB 999, Richland, WA 99352 USA. RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU Battelle Independent RD program; NIH National Center for Research Resources FX Portions of this work were supported by the Battelle Independent R&D program and the NIH National Center for Research Resources. We thank Dr. Erin S. Baker for her peptide samples. NR 45 TC 32 Z9 33 U1 3 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD OCT 1 PY 2009 VL 81 IS 19 BP 8048 EP 8053 DI 10.1021/ac901479e PG 6 WC Chemistry, Analytical SC Chemistry GA 501EA UT WOS:000270361100029 PM 19708673 ER PT J AU Bhandari, D Wells, SM Retterer, ST Sepaniak, MJ AF Bhandari, Deepak Wells, Sabrina M. Retterer, Scott T. Sepaniak, Michael J. TI Characterization and Detection of Uranyl Ion Sorption on Silver Surfaces Using Surface Enhanced Raman Spectroscopy SO ANALYTICAL CHEMISTRY LA English DT Article ID SPECTRA; URANIUM(VI); SCATTERING; HYDROLYSIS; COMPLEXES; SERS; 25-DEGREES-C; HYDROXIDE; FILMS; OXIDE AB The study of the chemical bebavior of uranyl species and its rapid detection is of primary environmental and nonproliferation concern. Herein, we report on a surface enhanced Raman spectroscopic study of uranyl ion (UO(2)(2+)) sorption onto the thermally vapor deposited silver particle surface. The ability of vibrational spectroscopy to characterize surface phenomenon and the remarkable sensitivity of surface enhanced Raman spectroscopy (SERS) have been introduced as an appropriate combination for the surface characterization and detection of UO(2)(2+) onto the silver surface. The appearance of symmetric stretching frequency of UO(2)(2+) around 700 cm(-1) and the disappearance of the 854 cm(-1) band are attributed to the development of a chemical bond between silver surface and uranyl species. The effects of temperature, solute-surface inter-action time, and pH have been studied using silver modified polypropylene filter (PPF) substrates. Results show that under appropriate conditions, the concentration of uranyl ion as low as 20 ng/mL can be easily detected using the discussed SERS approach without any surface modification of silver nanoparticles. Moreover, an alternative SERS approach of uranyl detection is demonstrated using nanolithographically fabricated SERS substrates. C1 [Bhandari, Deepak; Wells, Sabrina M.; Sepaniak, Michael J.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Retterer, Scott T.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Sepaniak, MJ (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM msepaniak@utk.edu RI Retterer, Scott/A-5256-2011 OI Retterer, Scott/0000-0001-8534-1979 FU U.S. Environmental Protection Agency [EPA-83274001] FX This research was supported by the U.S. Environmental Protection Agency STAR program under Grant EPA-83274001 with The University of Tennessee. Nanofabricated substrates were created at Oak Ridge National Laboratory's Center for Nanophase Material Sciences, sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. The authors Would like to thank Dr. George Schweitzer of UT-Knoxville for providing uranyl nitrate hexahydrate. NR 41 TC 27 Z9 29 U1 2 U2 45 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD OCT 1 PY 2009 VL 81 IS 19 BP 8061 EP 8067 DI 10.1021/ac901266f PG 7 WC Chemistry, Analytical SC Chemistry GA 501EA UT WOS:000270361100031 PM 19737007 ER PT J AU Kanarska, Y Lomov, I Glenn, L Antoun, T AF Kanarska, Y. Lomov, I. Glenn, L. Antoun, T. TI Numerical simulation of cloud rise phenomena associated with nuclear bursts SO ANNALS OF NUCLEAR ENERGY LA English DT Article ID ANELASTIC APPROXIMATION; EQUATIONS; FLOWS AB We present numerical simulations of cloud evolution from nuclear explosions using high-resolution numerical methods. Our numerical approach includes a fluid mechanical model that is a combination of a compressible code (GEODYN) and a low Mach code (LMC). Early stages of nuclear explosions that are characterized by the blust wave propagation are simulated with an explicit code (GEODYN) that solves the compressible Navier-Stokes equations via a high-order Godunov scheme. As soon as the blust wave weakens (approximate to 10 s) the subsequent cloud rise due to buoyancy forces can be effectively simulated by the LMC code. LMC is an implicit code based on a pressure projection technique, and derived from the compressible Navier-Stokes equations using an asymptotic analysis in Mach number. It analytically eliminates time step restrictions based on sound wave propagation and it is computationally efficient and accurate for simulations of cloud rise dynamics at later stages. We perform a series of cloud rise scenarios ranging from an idealized bubble rise problem to realistic air bursts. We analyze effects of compressible dynamics on cloud evolution at different stages. It is found that in a realistic configuration, interaction of the reflected shock wave from the ground with the fireball significantly affects cloud evolution, in contrast to the equivalent idealized bubble rise simulations. We validate the code predictions against available experimental data. It is demonstrated that, by providing the initial source from the compressible GEODYN code, late time flow evolution can be successfully simulated with the fast, efficient and accurate LMC code. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Kanarska, Y.; Lomov, I.; Glenn, L.; Antoun, T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Kanarska, Y (reprint author), Lawrence Livermore Natl Lab, POB 808,L-231, Livermore, CA 94551 USA. EM kanarska1@llnl.gov FU US Department of Energy [DE-AC52-07NA27344] FX This work performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 25 TC 2 Z9 2 U1 1 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD OCT PY 2009 VL 36 IS 10 BP 1475 EP 1483 DI 10.1016/j.anucene.2009.08.009 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 513SL UT WOS:000271343600001 ER PT J AU Berthrong, ST Schadt, CW Pineiro, G Jackson, RB AF Berthrong, Sean T. Schadt, Christopher W. Pineiro, Gervasio Jackson, Robert B. TI Afforestation Alters the Composition of Functional Genes in Soil and Biogeochemical Processes in South American Grasslands SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID PROBE DESIGN CRITERIA; NITROGEN MINERALIZATION; BACTERIAL COMMUNITIES; LITTER DECOMPOSITION; BIOGEOGRAPHY; MICROARRAY; EXPRESSION; DIVERSITY; ECOSYSTEM; BIODIVERSITY AB Soil microbes are highly diverse and control most soil biogeochemical reactions. We examined how microbial functional genes and biogeochemical pools responded to the altered chemical inputs accompanying land use change. We examined paired native grasslands and adjacent Eucalyptus plantations (previously grassland) in Uruguay, a region that lacked forests before European settlement. Along with measurements of soil carbon, nitrogen, and bacterial diversity, we analyzed functional genes using the GeoChip 2.0 microarray, which simultaneously quantified several thousand genes involved in soil carbon and nitrogen cycling. Plantations and grassland differed significantly in functional gene profiles, bacterial diversity, and biogeochemical pool sizes. Most grassland profiles were similar, but plantation profiles generally differed from those of grasslands due to differences in functional gene abundance across diverse taxa. Eucalypts decreased ammonification and N fixation functional genes by 11% and 7.9% (P < 0.01), which correlated with decreased microbial biomass N and more NH4+ in plantation soils. Chitinase abundance decreased 7.8% in plantations compared to levels in grassland (P = 0.017), and C polymer-degrading genes decreased by 1.5% overall (P < 0.05), which likely contributed to 54% (P < 0.05) more C in undecomposed extractable soil pools and 27% less microbial C (P < 0.01) in plantation soils. In general, afforestation altered the abundance of many microbial functional genes, corresponding with changes in soil biogeochemistry, in part through altered abundance of overall functional gene types rather than simply through changes in specific taxa. Such changes in microbial functional genes correspond with altered C and N storage and have implications for long-term productivity in these soils. C1 [Berthrong, Sean T.] Duke Univ, Dept Biol, Univ Program Ecol, Durham, NC 27708 USA. [Schadt, Christopher W.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Pineiro, Gervasio] Univ Buenos Aires, Fac Agron, Lab Anal Reg & Teledetecc, IFEVA,CONICET, Buenos Aires, DF, Argentina. [Pineiro, Gervasio; Jackson, Robert B.] Duke Univ, Nicholas Sch Environm, Durham, NC 27708 USA. RP Berthrong, ST (reprint author), Duke Univ, Dept Biol, Univ Program Ecol, Campus Box 90338, Durham, NC 27708 USA. EM sberthrong@gmail.com RI Pineiro, Gervasio/D-2743-2009; Schadt, Christopher/B-7143-2008 OI Pineiro, Gervasio/0000-0003-0184-9797; Schadt, Christopher/0000-0001-8759-2448 FU National Science Foundation [0717191]; IAI [2031]; FONCYT-PICT [06-1764]; U. S. Department of Energy Global Change Education Program; National Science Foundation Doctoral Dissertation Enhancement [0725942] FX We acknowledge support from the National Science Foundation (DEB no. 0717191) and the IAI (CRN II no. 2031). G. P. was supported by FONCYT-PICT grant no. 06-1764, and S. T. B. was supported by a Graduate Research in the Environment Fellowship from the U. S. Department of Energy Global Change Education Program and a National Science Foundation Doctoral Dissertation Enhancement Grant (OISE no. 0725942). NR 51 TC 30 Z9 34 U1 4 U2 32 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD OCT 1 PY 2009 VL 75 IS 19 BP 6240 EP 6248 DI 10.1128/AEM.01126-09 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 498CE UT WOS:000270113200024 PM 19700539 ER PT J AU Arteaga, O Canillas, A Jellison, GE AF Arteaga, Oriol Canillas, Adolf Jellison, Gerald E., Jr. TI Determination of the components of the gyration tensor of quartz by oblique incidence transmission two-modulator generalized ellipsometry SO APPLIED OPTICS LA English DT Article ID ACCURACY UNIVERSAL POLARIMETER; DICHROIC CRYSTAL SECTIONS; OPTICAL-ACTIVITY; CIRCULAR-DICHROISM; POLARIZATION MODULATION; LINEAR BIREFRINGENCE; MULTIPLE REFLECTIONS; ALPHA-QUARTZ; DISPERSION; LIGHT AB The two independent components of the gyration tensor of quartz, g(11) and g(33), have been spectroscopically measured using a transmission two-modulator generalized ellipsometer. The method is used to determine the optical activity in crystals in directions other than the optic axis, where the linear birefringence is much larger than the optical activity. (C) 2009 Optical Society of America C1 [Arteaga, Oriol; Canillas, Adolf] Univ Barcelona, Dept Fis Aplicada & Opt, IN2UB, FEMAN Grp, E-08028 Barcelona, Spain. [Jellison, Gerald E., Jr.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Arteaga, O (reprint author), Univ Barcelona, Dept Fis Aplicada & Opt, IN2UB, FEMAN Grp, E-08028 Barcelona, Spain. EM oarteaga@ub.edu RI Arteaga, Oriol/F-7465-2011; Arteaga, Oriol/B-9568-2015 OI Arteaga, Oriol/0000-0001-9015-0237 FU Spanish government [AYA2006-1648-C02-01]; Ministerio de Educacion y Ciencia (MEC) of Spain [FPU AP2006-00193]; Division of Materials Science and Engineering; Office of Basic Energy Sciences, U. S. Department of Energy (DOE) [DE-AC05-00OR22725] FX O. Arteaga and A. Canillas acknowledge financial support from the Spanish government (AYA2006-1648-C02-01). O. A. also acknowledges financial support from the Ministerio de Educacion y Ciencia (MEC) of Spain (FPU AP2006-00193). G. E. Jellison acknowledges the financial support of the Division of Materials Science and Engineering, Office of Basic Energy Sciences, U. S. Department of Energy (DOE), under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC. We thank J. M. Ribo for motivating the research. NR 39 TC 20 Z9 20 U1 3 U2 6 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD OCT 1 PY 2009 VL 48 IS 28 BP 5307 EP 5317 DI 10.1364/AO.48.005307 PG 11 WC Optics SC Optics GA 501JJ UT WOS:000270377500013 PM 19798370 ER PT J AU Yue, YA Eres, G Wang, XW Guo, LY AF Yue, Yanan Eres, Gyula Wang, Xinwei Guo, Liying TI Characterization of thermal transport in micro/nanoscale wires by steady-state electro-Raman-thermal technique SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING LA English DT Article ID WALLED CARBON NANOTUBES; TEMPERATURE-DEPENDENCE; SPECTRA; SPECTROSCOPY AB In this work, a novel steady-state electro-Raman-thermal (SERT) technique is developed to characterize the thermal transport in one-dimensional micro/nanoscale materials. The SERT technique involves steady-state joule heating of a suspended sample and measuring its middle point temperature based on the temperature dependence of the Raman shift peak intensity. The thermal conductivity is determined from a linear fitting of the temperature against heating power. Multi-wall carbon nanotube bundles are characterized using the SERT technique to verify its measurement capacity. As it does not need to track the transient process of heat transfer, the SERT technique has the great potential for measuring short materials down to nm long. C1 [Yue, Yanan; Wang, Xinwei; Guo, Liying] Iowa State Univ, Dept Mech Engn, Ames, IA 50011 USA. [Eres, Gyula] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Wang, XW (reprint author), Iowa State Univ, Dept Mech Engn, 2025 Black Engn Bldg, Ames, IA 50011 USA. EM xwang3@iastate.edu RI Yue, Yanan/E-1609-2015; Eres, Gyula/C-4656-2017 OI Yue, Yanan/0000-0002-3489-3949; Eres, Gyula/0000-0003-2690-5214 FU Iowa State University FX Support of this work from the start-up fund of Iowa State University is gratefully acknowledged. X. Wang also very much appreciates the discussion with Professor Yongfeng Lu of the University of Nebraska-Lincoln during the development of the SERT technique. NR 21 TC 16 Z9 16 U1 0 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0947-8396 J9 APPL PHYS A-MATER JI Appl. Phys. A-Mater. Sci. Process. PD OCT PY 2009 VL 97 IS 1 BP 19 EP 23 DI 10.1007/s00339-009-5352-6 PG 5 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 486OM UT WOS:000269206600003 ER PT J AU Heckl, OH Baer, CRE Krankel, C Marchese, SV Schapper, F Holler, M Sudmeyer, T Robinson, JS Tisch, JWG Couny, F Light, P Benabid, F Keller, U AF Heckl, O. H. Baer, C. R. E. Kraenkel, C. Marchese, S. V. Schapper, F. Holler, M. Suedmeyer, T. Robinson, J. S. Tisch, J. W. G. Couny, F. Light, P. Benabid, F. Keller, U. TI High harmonic generation in a gas-filled hollow-core photonic crystal fiber SO APPLIED PHYSICS B-LASERS AND OPTICS LA English DT Article ID EXTREME-ULTRAVIOLET; RARE-GASES; LASER; FIELD; RADIATION; SYSTEM; PULSES; LIGHT AB High harmonic generation (HHG) of intense infrared laser radiation (Ferray et al., J. Phys. B: At. Mol. Opt. Phys. 21:L31, 1988; McPherson et al., J. Opt. Soc. Am. B 4:595, 1987) enables coherent vacuum-UV (VUV) to soft-X-ray sources. In the usual setup, energetic femtosecond laser pulses are strongly focused into a gas jet, restricting the interaction length to the Rayleigh range of the focus. The average photon flux is limited by the low conversion efficiency and the low average power of the complex laser amplifier systems (Keller, Nature 424:831, 2003; Sudmeyer et al., Nat. Photonics 2:599, 2008; Roser et al., Opt. Lett. 30:2754, 2005; Eidam et al., IEEE J. Sel. Top. Quantum Electron. 15:187, 2009) which typically operate at kilohertz repetition rates. This represents a severe limitation for many experiments using the harmonic radiation in fields such as metrology or high-resolution imaging. Driving HHG with novel high-power diode-pumped multi-megahertz laser systems has the potential to significantly increase the average photon flux. However, the higher average power comes at the expense of lower pulse energies because the repetition rate is increased by more than a thousand times, and efficient HHG is not possible in the usual geometry. So far, two promising techniques for HHG at lower pulse energies were developed: external build-up cavities (Gohle et al., Nature 436:234, 2005; Jones et al., Phys. Rev. Lett. 94:193, 2005) and resonant field enhancement in nanostructured targets (Kim et al., Nature 453:757, 2008). Here we present a third technique, which has advantages in terms of ease of HHG light extraction, transverse beam quality, and the possibility to substantially increase conversion efficiency by phase-matching (Paul et al., Nature 421:51, 2003; Ren et al., Opt. Express 16:17052, 2008; Serebryannikov et al., Phys. Rev. E (Stat. Nonlinear Soft Matter Phys.) 70:66611, 2004; Serebryannikov et al., Opt. Lett. 33:977, 2008; Zhang et al., Nat. Phys. 3:270, 2007). The interaction between the laser pulses and the gas occurs in a Kagome-type Hollow-Core Photonic Crystal Fiber (HC-PCF) (Benabid et al., Science 298:399, 2002), which reduces the detection threshold for HHG to only 200 nJ. This novel type of fiber guides nearly all of the light in the hollow core (Couny et al., Science 318:1118, 2007), preventing damage even at intensities required for HHG. Our fiber guided 30-fs pulses with a pulse energy of more than 10 mu J, which is more than five times higher than for any other photonic crystal fiber (Hensley et al., Conference on Lasers and Electro-Optics (CLEO), IEEE Press, New York, 2008). C1 [Heckl, O. H.; Baer, C. R. E.; Kraenkel, C.; Marchese, S. V.; Schapper, F.; Holler, M.; Suedmeyer, T.; Keller, U.] ETH, Inst Quantum Elect, Dept Phys, CH-8093 Zurich, Switzerland. [Robinson, J. S.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Robinson, J. S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Tisch, J. W. G.] Univ London Imperial Coll Sci Technol & Med, Quantum Opt & Laser Sci Grp, Blackett Lab, London SW7 2BW, England. [Couny, F.; Light, P.; Benabid, F.] Univ Bath, Dept Phys, Bath BA2 7AY, Avon, England. RP Heckl, OH (reprint author), ETH, Inst Quantum Elect, Dept Phys, CH-8093 Zurich, Switzerland. EM heckl@phys.ethz.ch RI Krankel, Christian/A-1320-2009; Heckl, Oliver/A-2160-2009; Benabid, Fetah/C-1592-2013; Holler, Mirko/I-3962-2014; Keller, Ursula/N-2437-2016; Light, Philip/C-8315-2009 OI Krankel, Christian/0000-0003-3609-5825; Keller, Ursula/0000-0002-1689-8041; Light, Philip/0000-0003-3873-7991 NR 32 TC 61 Z9 61 U1 0 U2 43 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0946-2171 J9 APPL PHYS B-LASERS O JI Appl. Phys. B-Lasers Opt. PD OCT PY 2009 VL 97 IS 2 BP 369 EP 373 DI 10.1007/s00340-009-3771-x PG 5 WC Optics; Physics, Applied SC Optics; Physics GA 510LF UT WOS:000271089300016 ER PT J AU Mirguet, C Dejoie, C Roucau, C De Parseval, P Teat, SJ Sciau, P AF Mirguet, C. Dejoie, C. Roucau, C. De Parseval, Ph Teat, S. J. Sciau, Ph TI NATURE AND MICROSTRUCTURE OF GALLIC IMITATIONS OF SIGILLATA SLIPS FROM THE LA GRAUFESENQUE WORKSHOP* SO ARCHAEOMETRY LA English DT Article DE TERRA SIGILLATA; SLIP; MICROPROBE ANALYSIS; X-RAY DIFFRACTION; TRANSMISSION ELECTRONIC MICROSCOPY ID X-RAY-DIFFRACTION; BLACK GLOSS; CERAMICS; POTTERY; CLAYS; SITES AB The red glaze (slip) that characterizes the Terra Sigillata potteries greatly contributed to their success during the Roman period. The colour of the slip can in fact be partially explained by the microstructure (crystalline phases, grain sizes) and the physico-chemistry (composition) of the ceramics. However, the precise process and the diffusion of this technique are still not fully known. In particular, we do not know yet how the production of sigillata took place in the south of Gaul, and the role that was played by the production under Italian influence (pre-sigillata) preceding the first local sigillata. In this work, a combination of transmission electron microscopy (TEM) and X-ray synchrotron diffraction techniques was used to study the microstructure of pre-sigillata slips from the main southern Gaul workshop (La Graufesenque), in order to compare their characteristics with those of high-quality sigillata. These first results seem to indicate that the antique potters chose clays adapted to their firing conditions and to the type of coating that they wanted to make. These productions cannot be described as an initial phase for the later sigillata production and, rather, seem to correspond to the intention of developing a specific type of pottery only inspired by the famous Italian sigillata forms. C1 [Mirguet, C.; Roucau, C.; Sciau, Ph] CNRS, CEMES, UPR 8011, F-31055 Toulouse 4, France. [Dejoie, C.] CNRS UJF, Inst NEEL, F-38042 Grenoble, France. [De Parseval, Ph] Univ Toulouse, CNRS, LMTG, IRD,OMP, F-31400 Toulouse, France. [Teat, S. J.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Sciau, P (reprint author), CNRS, CEMES, UPR 8011, 29 Rue J Marvig, F-31055 Toulouse 4, France. EM Sciau@cemes.fr RI Sciau, Philippe/C-7734-2011 FU Conseil Regional de Midi-Pyrenees [03007514, 06001527]; Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the US Department of Energy [DE-AC03-76SF00098] FX The authors would like to thank Alain Vernhet for archaeological samples as well as Laure Noe and Catherine Crestou for sample preparation. This research was supported by the Conseil Regional de Midi-Pyrenees, under contract numbers 03007514 and 06001527. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the US Department of Energy, under contract number DE-AC03-76SF00098 at Lawrence Berkeley National Laboratory. NR 28 TC 6 Z9 6 U1 1 U2 8 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0003-813X J9 ARCHAEOMETRY JI Archaeometry PD OCT PY 2009 VL 51 BP 748 EP 762 DI 10.1111/j.1475-4754.2008.00452.x PG 15 WC Archaeology; Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Geosciences, Multidisciplinary SC Archaeology; Chemistry; Geology GA 493HY UT WOS:000269728600004 ER PT J AU Brambley, MR Katipamula, S AF Brambley, Michael R. Katipamula, Srinivas TI Commercial Building Retuning A Low-Cost Way to Improve Energy Performance SO ASHRAE JOURNAL LA English DT Article C1 [Brambley, Michael R.; Katipamula, Srinivas] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Brambley, MR (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 6 TC 2 Z9 2 U1 1 U2 6 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 J9 ASHRAE J JI ASHRAE J. PD OCT PY 2009 VL 51 IS 10 BP 12 EP + PG 8 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 508LY UT WOS:000270934100004 ER PT J AU McKenney, K Dieckmann, J Brodrick, J AF McKenney, Kurtis Dieckmann, John Brodrick, James TI An Updated Look At DCV Approaches SO ASHRAE JOURNAL LA English DT Editorial Material C1 [McKenney, Kurtis; Dieckmann, John] TIAX, Cambridge, MA USA. [Brodrick, James] US DOE, Bldg Technol Program, Washington, DC USA. RP McKenney, K (reprint author), TIAX, Cambridge, MA USA. NR 12 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 J9 ASHRAE J JI ASHRAE J. PD OCT PY 2009 VL 51 IS 10 BP 82 EP + PG 2 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 508LY UT WOS:000270934100011 ER PT J AU Meneux, B Guzzo, L de la Torre, S Porciani, C Zamorani, G Abbas, U Bolzonella, M Garilli, B Iovino, A Pozzetti, L Zucca, E Lilly, SJ Le Fevre, O Kneib, JP Carollo, CM Contini, T Mainieri, V Renzini, A Scodeggio, M Bardelli, S Bongiorno, A Caputi, K Coppa, G Cucciati, O de Ravel, L Franzetti, P Kampczyk, P Knobel, C Kovac, K Lamareille, F Le Borgne, JF Le Brun, V Maier, C Pello, R Peng, Y Montero, EP Ricciardelli, E Silverman, JD Tanaka, M Tasca, L Tresse, L Vergani, D Bottini, D Cappi, A Cimatti, A Cassata, P Fumana, M Koekemoer, AM Leauthaud, A Maccagni, D Marinoni, C McCracken, HJ Memeo, P Oesch, P Scaramella, R AF Meneux, B. Guzzo, L. de la Torre, S. Porciani, C. Zamorani, G. Abbas, U. Bolzonella, M. Garilli, B. Iovino, A. Pozzetti, L. Zucca, E. Lilly, S. J. Le Fevre, O. Kneib, J. -P. Carollo, C. M. Contini, T. Mainieri, V. Renzini, A. Scodeggio, M. Bardelli, S. Bongiorno, A. Caputi, K. Coppa, G. Cucciati, O. de Ravel, L. Franzetti, P. Kampczyk, P. Knobel, C. Kovac, K. Lamareille, F. Le Borgne, J. -F. Le Brun, V. Maier, C. Pello, R. Peng, Y. Montero, E. Perez Ricciardelli, E. Silverman, J. D. Tanaka, M. Tasca, L. Tresse, L. Vergani, D. Bottini, D. Cappi, A. Cimatti, A. Cassata, P. Fumana, M. Koekemoer, A. M. Leauthaud, A. Maccagni, D. Marinoni, C. McCracken, H. J. Memeo, P. Oesch, P. Scaramella, R. TI The zCOSMOS survey. The dependence of clustering on luminosity and stellar mass at z=0.2-1 SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE cosmology: observations; large-scale structure of Universe; surveys; Galaxy: evolution ID VLT DEEP SURVEY; GALAXY REDSHIFT SURVEY; HALO OCCUPATION DISTRIBUTION; LARGE-SCALE STRUCTURE; SPACE CORRELATION-FUNCTIONS; DIGITAL SKY SURVEY; 1ST EPOCH DATA; REAL-SPACE; ENVIRONMENTAL DEPENDENCE; PHOTOMETRIC REDSHIFTS AB Aims. We study the dependence of galaxy clustering on luminosity and stellar mass at redshifts z similar to [0.2-1], using the first 10K redshifts from the zCOSMOS spectroscopic survey of the COSMOS field. Methods. We measured the redshift-space correlation functions xi(r(p), pi) and xi(s) and the projected function, omega(p)(r(p)) for subsamples covering different luminosity, mass, and redshift ranges. We explored and quantified in detail the observational selection biases from the flux-limited nature of the survey, using ensembles of realistic semi-analytic mock samples built from the Millennium simulation. We used the same mock data sets to carefully check our covariance and error estimate techniques, comparing the performances of methods based on the scatter in the mocks and on bootstrapping schemes. We finally compared our measurements to the cosmological model predictions from the mock surveys. Results. At odds with other measurements at similar redshift and in the local Universe, we find a weak dependence of galaxy clustering on luminosity in all three redshift bins explored. A mild dependence on stellar mass is instead observed, in particular on small scales, which becomes particularly evident in the central redshift bin (0.5 < z < 0.8), where omega(p)(r(p)) shows strong excess power on scales > 1 h(-1) Mpc. This is reflected in the shape of the full xi(r(p), p) that we interpret as produced by dominating structures almost perpendicular to the line of sight in the survey volume. Comparing to z similar to 0 measurements, we do not see any significant evolution with redshift of the amplitude of clustering for bright and/or massive galaxies. Conclusions. This is consistent with previous results and the standard picture in which the bias evolves more rapidly for the most massive haloes, which in turn host the highest-stellar-mass galaxies. At the same time, however, the clustering measured in the zCOSMOS 10K data at 0.5 < z < 1 for galaxies with log(M/M(circle dot)) = 10 is only marginally consistent with the predictions from the mock surveys. On scales larger than similar to 2 h(-1) Mpc, the observed clustering amplitude is compatible only with similar to 1% of the mocks. Thus, if the power spectrum of matter is Lambda CDM with standard normalisation and the bias has no "unnatural" scale-dependence, this result indicates that COSMOS has picked up a particularly rare, similar to 2-3 sigma positive fluctuation in a volume of similar to 10(6) h(-1) Mpc(3). These findings underline the need for larger surveys of the z similar to 1 Universe to appropriately characterise the level of structure at this epoch. C1 [Meneux, B.; Bongiorno, A.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Meneux, B.] Univ Sternwarte, D-81679 Munich, Germany. [Guzzo, L.; de la Torre, S.] Osserv Astron Brera, INAF, I-23807 Merate, LC, Italy. [de la Torre, S.; Le Fevre, O.; Kneib, J. -P.; Cucciati, O.; de Ravel, L.; Le Brun, V.; Tasca, L.; Tresse, L.; Cassata, P.] Univ Aix Marseille 1, Lab Astrophys Marseille, UMR 6110, CNRS, F-13376 Marseille 12, France. [de la Torre, S.; Garilli, B.; Scodeggio, M.; Franzetti, P.; Tasca, L.; Bottini, D.; Fumana, M.; Maccagni, D.; Memeo, P.] Ist Astrofis Spaziale & Fis Cosm, INAF, I-20133 Milan, Italy. [Porciani, C.] Argelander Inst Astron, D-53121 Bonn, Germany. [Porciani, C.; Lilly, S. J.; Carollo, C. M.; Kampczyk, P.; Knobel, C.; Kovac, K.; Maier, C.; Peng, Y.; Silverman, J. D.; Oesch, P.] ETH, Inst Astron, CH-8092 Zurich, Switzerland. [Zamorani, G.; Bolzonella, M.; Pozzetti, L.; Zucca, E.; Bardelli, S.; Coppa, G.; Vergani, D.; Cappi, A.] Osservatorio Astron Bologna, INAF, Bologna, Italy. [Abbas, U.] Osserv Astron Torino, INAF, I-10025 Pino Torinese, TO, Italy. [Iovino, A.] Osserv Astron Brera, INAF, Milan, Italy. [Contini, T.; Lamareille, F.; Le Borgne, J. -F.; Pello, R.; Montero, E. Perez] Univ Toulouse, Lab Astrophys Toulouse Tarbes, CNRS Toulouse, F-31400 Toulouse, France. [Mainieri, V.; Tanaka, M.] European So Observ, D-8046 Garching, Germany. [Renzini, A.; Ricciardelli, E.] Univ Padua, Dipartimento Astron, I-35122 Padua, Italy. [Coppa, G.] Univ Bologna, Dipartimento Astron, Bologna, Italy. [Koekemoer, A. M.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Leauthaud, A.] Univ Calif Berkeley, Berkeley Lab, Berkeley, CA 94720 USA. [Leauthaud, A.] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA. [Marinoni, C.] Univ Provence, Ctr Phys Theor, UMR 6207, CNRS, F-13288 Marseille, France. [McCracken, H. J.] Univ Paris 06, Inst Astrophys Paris, Paris, France. [Scaramella, R.] Osserv Astron Roma, INAF, I-00040 Monte Porzio Catone, Italy. RP Meneux, B (reprint author), Max Planck Inst Extraterr Phys, Giessenbachstr, D-85748 Garching, Germany. EM bmeneux@mpe.mpg.de RI Kneib, Jean-Paul/A-7919-2015; Zucca, Elena/O-9396-2015; Cappi, Alberto/O-9391-2015; Bardelli, Sandro/O-9369-2015; Bolzonella, Micol/O-9495-2015; Pello, Roser/G-4754-2010; Le Fevre, Olivier/G-7389-2011; OI Bongiorno, Angela/0000-0002-0101-6624; Scodeggio, Marco/0000-0002-2282-5850; Franzetti, Paolo/0000-0002-6986-0127; Vergani, Daniela/0000-0003-0898-2216; Scaramella, Roberto/0000-0003-2229-193X; Oesch, Pascal/0000-0001-5851-6649; Maier, Christian/0000-0001-6405-2182; Garilli, Bianca/0000-0001-7455-8750; Kneib, Jean-Paul/0000-0002-4616-4989; Zucca, Elena/0000-0002-5845-8132; Cappi, Alberto/0000-0002-9200-7167; Bardelli, Sandro/0000-0002-8900-0298; Bolzonella, Micol/0000-0003-3278-4607; Fumana, Marco/0000-0001-6787-5950; Iovino, Angela/0000-0001-6958-0304; bottini, dario/0000-0001-6917-041X; Pozzetti, Lucia/0000-0001-7085-0412; Zamorani, Giovanni/0000-0002-2318-301X; Perez Montero, E/0000-0003-3985-4882; Koekemoer, Anton/0000-0002-6610-2048 FU [ASI/COFIS/WP3110I/026/07/0] FX We thank the anonymous referee for a detailed review of the manuscript that helped to improve the paper. We thank G. De Lucia, J. Blaizot, S. Phleps, and A. Sanchez for their thorough comments on an early version of the manuscript. This work was supported by Grant ASI/COFIS/WP3110I/026/07/0. NR 86 TC 66 Z9 68 U1 0 U2 1 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD OCT PY 2009 VL 505 IS 2 BP 463 EP 482 DI 10.1051/0004-6361/200912314 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 504ST UT WOS:000270638600003 ER PT J AU Abdo, AA Ackermann, M Ajello, M Ampe, J Anderson, B Atwood, WB Axelsson, M Bagagli, R Baldini, L Ballet, J Barbiellini, G Bartelt, J Bastieri, D Baughman, BM Bechtol, K Bederede, D Bellardi, F Bellazzini, R Belli, F Berenji, B Bisello, D Bissaldi, E Bloom, ED Bogaert, G Bogart, JR Bonamente, E Borgland, AW Bourgeois, P Bouvier, A Bregeon, J Brez, A Brigida, M Bruel, P Burnett, TH Busetto, G Caliandro, GA Cameron, RA Campell, M Caraveo, PA Carius, S Carlson, P Casandjian, JM Cavazzuti, E Ceccanti, M Cecchi, C Charles, E Chekhtman, A Cheung, CC Chiang, J Chipaux, R Cillis, AN Ciprini, S Claus, R Cohen-Tanugi, J Condamoor, S Conrad, J Corbet, R Cutini, S Davis, DS DeKlotz, M Dermer, CD de Angelis, A de Palma, F Digel, SW Dizon, P Dormody, M Silva, EDE Drell, PS Dubois, R Dumora, D Edmonds, Y Fabiani, D Farnier, C Favuzzi, C Ferrara, EC Ferreira, O Fewtrell, Z Flath, DL Fleury, P Focke, WB Fouts, K Frailis, M Freytag, D Fukazawa, Y Funk, S Fusco, P Garganov, F Gasparrini, D Gehrelscao, N Germani, S Giebels, B Giglietto, N Giordano, F Glanzman, T Godfrey, G Goodman, J Grenier, IA Grondin, MH Grove, JE Guillemot, L Guiriec, S Hakimi, M Haller, G Hanabata, Y Hart, PA Hascall, P Hays, E Huffer, M Hughes, RE Johannesson, G Johnson, AS Johnson, RP Johnson, TJ Johnson, WN Kamae, T Katagiri, H Kataoka, J Kavelaars, A Kelly, H Kerr, M Klamra, W Knodlseder, J Kocian, ML Kuehn, F Kuss, M Latronico, L Lavalley, C Leas, B Lee, B Lee, SH Lemoine-Goumard, M Longo, F Loparco, F Lott, B Lovellette, MN Lubrano, P Lung, DK Madejski, GM Makeev, A Marangelli, B Marchetti, M Massai, MM May, D Mazzenga, G Mazziotta, MN McEnery, JE McGlynn, S Meurer, C Michelson, PF Minuti, M Mirizzi, N Mitra, P Mitthumsiri, W Mizuno, T Moiseev, AA Mongelli, M Monte, C Monzani, ME Moretti, E Morselli, A Moskalenko, IV Murgia, S Nelson, D Nilsson, L Nishino, S Nolan, PL Nuss, E Ohno, M Ohsugi, T Omodei, N Orlando, E Ormes, JF Ozaki, M Paccagnella, A Paneque, D Panetta, JH Parent, D Pelassa, V Pepe, M Pesce-Rollins, M Picozza, P Pinchera, M Piron, F Porter, TA Raino, S Rando, R Rapposelli, E Raynor, W Razzano, M Reimer, A Reimer, O Reposeur, T Reyes, LC Ritz, S Robinson, S Rochester, LS Rodriguez, AY Romani, RW Roth, M Ryde, F Sacchetti, A Sadrozinski, HFW Saggini, N Sanchez, D Sander, A Sapozhnikov, L Saxton, OH Parkinson, PMS Sellerholm, A Sgro, C Siskind, EJ Smith, DA Smith, PD Spandre, G Spinelli, P Starck, JL Stephens, TE Strickman, MS Strong, AW Sugizaki, M Suson, DJ Tajima, H Takahashi, H Takahashi, T Tanaka, T Tenze, A Thayer, JB Thayer, JG Thompson, DJ Tibaldo, L Tibolla, O Torres, DF Tosti, G Tramacere, A Turri, M Usher, TL Vilchez, N Virmani, N Vitale, V Wai, LL Waite, AP Wang, P Winer, BL Wood, DL Wood, KS Yasuda, H Ylinen, T Ziegler, M AF Abdo, A. A. Ackermann, M. Ajello, M. Ampe, J. Anderson, B. Atwood, W. B. Axelsson, M. Bagagli, R. Baldini, L. Ballet, J. Barbiellini, G. Bartelt, J. Bastieri, D. Baughman, B. M. Bechtol, K. Bederede, D. Bellardi, F. Bellazzini, R. Belli, F. Berenji, B. Bisello, D. Bissaldi, E. Bloom, E. D. Bogaert, G. Bogart, J. R. Bonamente, E. Borgland, A. W. Bourgeois, P. Bouvier, A. Bregeon, J. Brez, A. Brigida, M. Bruel, P. Burnett, T. H. Busetto, G. Caliandro, G. A. Cameron, R. A. Campell, M. Caraveo, P. A. Carius, S. Carlson, P. Casandjian, J. M. Cavazzuti, E. Ceccanti, M. Cecchi, C. Charles, E. Chekhtman, A. Cheung, C. C. Chiang, J. Chipaux, R. Cillis, A. N. Ciprini, S. Claus, R. Cohen-Tanugi, J. Condamoor, S. Conrad, J. Corbet, R. Cutini, S. Davis, D. S. DeKlotz, M. Dermer, C. D. de Angelis, A. de Palma, F. Digel, S. W. Dizon, P. Dormody, M. do Couto e Silva, E. Drell, P. S. Dubois, R. Dumora, D. Edmonds, Y. Fabiani, D. Farnier, C. Favuzzi, C. Ferrara, E. C. Ferreira, O. Fewtrell, Z. Flath, D. L. Fleury, P. Focke, W. B. Fouts, K. Frailis, M. Freytag, D. Fukazawa, Y. Funk, S. Fusco, P. Garganov, F. Gasparrini, D. Gehrelscao, N. Germani, S. Giebels, B. Giglietto, N. Giordano, F. Glanzman, T. Godfrey, G. Goodman, J. Grenier, I. A. Grondin, M. -H. Grove, J. E. Guillemot, L. Guiriec, S. Hakimi, M. Haller, G. Hanabata, Y. Hart, P. A. Hascall, P. Hays, E. Huffer, M. Hughes, R. E. Johannesson, G. Johnson, A. S. Johnson, R. P. Johnson, T. J. Johnson, W. N. Kamae, T. Katagiri, H. Kataoka, J. Kavelaars, A. Kelly, H. Kerr, M. Klamra, W. Knoedlseder, J. Kocian, M. L. Kuehn, F. Kuss, M. Latronico, L. Lavalley, C. Leas, B. Lee, B. Lee, S. -H. Lemoine-Goumard, M. Longo, F. Loparco, F. Lott, B. Lovellette, M. N. Lubrano, P. Lung, D. K. Madejski, G. M. Makeev, A. Marangelli, B. Marchetti, M. Massai, M. M. May, D. Mazzenga, G. Mazziotta, M. N. McEnery, J. E. McGlynn, S. Meurer, C. Michelson, P. F. Minuti, M. Mirizzi, N. Mitra, P. Mitthumsiri, W. Mizuno, T. Moiseev, A. A. Mongelli, M. Monte, C. Monzani, M. E. Moretti, E. Morselli, A. Moskalenko, I. V. Murgia, S. Nelson, D. Nilsson, L. Nishino, S. Nolan, P. L. Nuss, E. Ohno, M. Ohsugi, T. Omodei, N. Orlando, E. Ormes, J. F. Ozaki, M. Paccagnella, A. Paneque, D. Panetta, J. H. Parent, D. Pelassa, V. Pepe, M. Pesce-Rollins, M. Picozza, P. Pinchera, M. Piron, F. Porter, T. A. Raino, S. Rando, R. Rapposelli, E. Raynor, W. Razzano, M. Reimer, A. Reimer, O. Reposeur, T. Reyes, L. C. Ritz, S. Robinson, S. Rochester, L. S. Rodriguez, A. Y. Romani, R. W. Roth, M. Ryde, F. Sacchetti, A. Sadrozinski, H. F. -W. Saggini, N. Sanchez, D. Sander, A. Sapozhnikov, L. Saxton, O. H. Parkinson, P. M. Saz Sellerholm, A. Sgro, C. Siskind, E. J. Smith, D. A. Smith, P. D. Spandre, G. Spinelli, P. Starck, J. -L. Stephens, T. E. Strickman, M. S. Strong, A. W. Sugizaki, M. Suson, D. J. Tajima, H. Takahashi, H. Takahashi, T. Tanaka, T. Tenze, A. Thayer, J. B. Thayer, J. G. Thompson, D. J. Tibaldo, L. Tibolla, O. Torres, D. F. Tosti, G. Tramacere, A. Turri, M. Usher, T. L. Vilchez, N. Virmani, N. Vitale, V. Wai, L. L. Waite, A. P. Wang, P. Winer, B. L. Wood, D. L. Wood, K. S. Yasuda, H. Ylinen, T. Ziegler, M. TI The on-orbit calibration of the Fermi Large Area Telescope SO ASTROPARTICLE PHYSICS LA English DT Article DE GLAST; Fermi; FGST; LAT; Telescope; Gamma-ray; Calibrations ID RAY-SPACE-TELESCOPE; BEAM TEST; TRACKER; PULSAR; CALORIMETER; DETECTOR; READOUT; DESIGN; MODEL AB The Large Area Telescope (LAT) on-board the Fermi Gamma-ray Space Telescope began its on-orbit operations on June 23, 2008. Calibrations, defined in a generic sense, correspond to synchronization of trigger signals, optimization of delays for latching data, determination of detector thresholds, gains and responses, evaluation of the perimeter of the South Atlantic Anomaly (SAA), measurements of live time, of absolute time, and internal and spacecraft boresight alignments. Here we describe on-orbit calibration results obtained using known astrophysical sources, galactic cosmic rays, and charge injection into the front-end electronics of each detector. Instrument response functions will be described in a separate publication. This paper demonstrates the stability of calibrations and describes minor changes observed since launch. These results have been used to calibrate the LAT datasets to be publicly released in August 2009. (C) 2009 Elsevier B.V. All rights reserved. C1 [Ackermann, M.; Ajello, M.; Bartelt, J.; Bechtol, K.; Berenji, B.; Bloom, E. D.; Bogart, J. R.; Borgland, A. W.; Bouvier, A.; Cameron, R. A.; Campell, M.; Charles, E.; Chiang, J.; Claus, R.; Condamoor, S.; Digel, S. W.; do Couto e Silva, E.; Drell, P. S.; Dubois, R.; Edmonds, Y.; Flath, D. L.; Focke, W. B.; Fouts, K.; Freytag, D.; Funk, S.; Glanzman, T.; Godfrey, G.; Goodman, J.; Hakimi, M.; Haller, G.; Hart, P. A.; Huffer, M.; Johannesson, G.; Johnson, A. S.; Kamae, T.; Kavelaars, A.; Kelly, H.; Kocian, M. L.; Lee, S. -H.; Madejski, G. M.; Michelson, P. F.; Mitra, P.; Mitthumsiri, W.; Monzani, M. E.; Moskalenko, I. V.; Murgia, S.; Nelson, D.; Nolan, P. L.; Paneque, D.; Panetta, J. H.; Rochester, L. S.; Romani, R. W.; Sapozhnikov, L.; Saxton, O. H.; Sugizaki, M.; Tajima, H.; Tanaka, T.; Thayer, J. B.; Thayer, J. G.; Tramacere, A.; Turri, M.; Usher, T. L.; Wai, L. L.; Waite, A. P.; Wang, P.] Stanford Univ, WW Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, Dept Phys, Stanford, CA 94305 USA. [Ackermann, M.; Ajello, M.; Bartelt, J.; Bechtol, K.; Berenji, B.; Bloom, E. D.; Bogart, J. R.; Borgland, A. W.; Bouvier, A.; Cameron, R. A.; Campell, M.; Charles, E.; Chiang, J.; Claus, R.; Condamoor, S.; Digel, S. W.; do Couto e Silva, E.; Drell, P. S.; Dubois, R.; Edmonds, Y.; Flath, D. L.; Focke, W. B.; Fouts, K.; Freytag, D.; Funk, S.; Glanzman, T.; Godfrey, G.; Goodman, J.; Hakimi, M.; Haller, G.; Hart, P. 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[Chekhtman, A.; Makeev, A.] George Mason Univ, Fairfax, VA 22030 USA. [Cheung, C. C.; Cillis, A. N.; Corbet, R.; Davis, D. S.; Ferrara, E. C.; Gehrelscao, N.; Hays, E.; Johnson, T. J.; McEnery, J. E.; Ritz, S.; Thompson, D. J.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Chipaux, R.] CEA Saclay, IRFU, Serv Phys Particules, F-91191 Gif Sur Yvette, France. [Chipaux, R.] CEA Saclay, IRFU SEDI, F-91191 Gif Sur Yvette, France. [Cohen-Tanugi, J.; Farnier, C.; Lavalley, C.; Nuss, E.; Pelassa, V.; Piron, F.] Univ Montpellier 2, CNRS, IN2P3, Lab Phys Theor & Astroparticules, Montpellier, France. [Conrad, J.; Meurer, C.; Sellerholm, A.] Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. [Corbet, R.; Davis, D. S.] Univ Maryland Baltimore Cty, Baltimore, MD 21250 USA. [DeKlotz, M.] Stellar Solut Inc, Palo Alto, CA 94306 USA. [de Angelis, A.; Frailis, M.] Univ Udine, Dipartimento Fis, I-33100 Udine, Italy. 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[Kataoka, J.] Tokyo Inst Technol, Dept Phys, Meguro, Tokyo 1528551, Japan. [Kataoka, J.] Waseda Univ, Shinjuku Ku, Tokyo 1698050, Japan. [Knoedlseder, J.; Vilchez, N.] UPS, CNRS, Ctr Etud Spatiale Rayonnements, F-31028 Toulouse 4, France. [Moiseev, A. A.] NASA, Goddard Space Flight Ctr, CRESST, Greenbelt, MD 20771 USA. [Nilsson, L.] Matfakta Kalmar AB, S-30477 Kalmar, Sweden. [Ohno, M.; Ozaki, M.; Takahashi, T.] JAXA, Inst Space & Astronaut Sci, Sagamihara, Kanagawa 2298510, Japan. [Ormes, J. F.] Univ Denver, Dept Phys & Astron, Denver, CO 80208 USA. [Paccagnella, A.] Univ Padua, Dipartimento Ingn Informaz, I-35131 Padua, Italy. [Reimer, A.; Reimer, O.] Univ Innsbruck, Inst Astro & Teilchenphys, A-6020 Innsbruck, Austria. [Reimer, A.; Reimer, O.] Univ Innsbruck, Inst Theoret Phys, A-6020 Innsbruck, Austria. [Reyes, L. C.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Robinson, S.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Rodriguez, A. Y.; Torres, D. F.] CSIC, IEEC, Inst Ciencies Espai, Barcelona 08193, Spain. [Siskind, E. J.] NYCB Real Time Comp Inc, Lattingtown, NY 11560 USA. [Stephens, T. E.] NASA, Ames Res Ctr, Div Space Sci, Moffett Field, CA 94035 USA. [Stephens, T. E.] USRA, Columbia, MD 21044 USA. [Suson, D. J.] Purdue Univ Calumet, Dept Chem & Phys, Hammond, IN 46323 USA. [Tibolla, O.] Max Planck Inst Kernphys, D-69029 Heidelberg, Germany. [Torres, D. F.] Inst Catalana Recerca & Estudis Avancats, Barcelona, Spain. [Tramacere, A.] CIFS, I-10133 Turin, Italy. [Wai, L. L.] Yahoo Inc, Sunnyvale, CA 94089 USA. RP Silva, EDE (reprint author), Stanford Univ, WW Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, Dept Phys, Stanford, CA 94305 USA. EM eduardo@slac.stanford.edu RI Hays, Elizabeth/D-3257-2012; Johnson, Neil/G-3309-2014; Reimer, Olaf/A-3117-2013; Funk, Stefan/B-7629-2015; Loparco, Francesco/O-8847-2015; Johannesson, Gudlaugur/O-8741-2015; Moskalenko, Igor/A-1301-2007; Mazziotta, Mario /O-8867-2015; Sgro, Carmelo/K-3395-2016; Bissaldi, Elisabetta/K-7911-2016; Torres, Diego/O-9422-2016; Starck, Jean-Luc/D-9467-2011; Thompson, David/D-2939-2012; McEnery, Julie/D-6612-2012; Chipaux, Remi/G-1145-2010; Ozaki, Masanobu/K-1165-2013; Rando, Riccardo/M-7179-2013; Baldini, Luca/E-5396-2012; lubrano, pasquale/F-7269-2012; Morselli, Aldo/G-6769-2011; Nolan, Patrick/A-5582-2009; Kuss, Michael/H-8959-2012; giglietto, nicola/I-8951-2012; Tosti, Gino/E-9976-2013; Saz Parkinson, Pablo Miguel/I-7980-2013 OI Moretti, Elena/0000-0001-5477-9097; Cutini, Sara/0000-0002-1271-2924; Gasparrini, Dario/0000-0002-5064-9495; Tramacere, Andrea/0000-0002-8186-3793; Baldini, Luca/0000-0002-9785-7726; Giordano, Francesco/0000-0002-8651-2394; Picozza, Piergiorgio/0000-0002-7986-3321; Stephens, Thomas/0000-0003-3065-6871; De Angelis, Alessandro/0000-0002-3288-2517; Frailis, Marco/0000-0002-7400-2135; Caraveo, Patrizia/0000-0003-2478-8018; Bastieri, Denis/0000-0002-6954-8862; Omodei, Nicola/0000-0002-5448-7577; Pesce-Rollins, Melissa/0000-0003-1790-8018; Gargano, Fabio/0000-0002-5055-6395; Reimer, Olaf/0000-0001-6953-1385; Funk, Stefan/0000-0002-2012-0080; Loparco, Francesco/0000-0002-1173-5673; Johannesson, Gudlaugur/0000-0003-1458-7036; Moskalenko, Igor/0000-0001-6141-458X; Mazziotta, Mario /0000-0001-9325-4672; Bissaldi, Elisabetta/0000-0001-9935-8106; Torres, Diego/0000-0002-1522-9065; Rando, Riccardo/0000-0001-6992-818X; Sgro', Carmelo/0000-0001-5676-6214; Starck, Jean-Luc/0000-0003-2177-7794; Thompson, David/0000-0001-5217-9135; lubrano, pasquale/0000-0003-0221-4806; Morselli, Aldo/0000-0002-7704-9553; giglietto, nicola/0000-0002-9021-2888; FU Istituto Nazionale di Astrofisica in Italy FX Additional support for science analysis during the operations phase is gratefully acknowledged from the Istituto Nazionale di Astrofisica in Italy. NR 30 TC 88 Z9 88 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 EI 1873-2852 J9 ASTROPART PHYS JI Astropart Phys. PD OCT-NOV PY 2009 VL 32 IS 3-4 BP 193 EP 219 DI 10.1016/j.astropartphys.2009.08.002 PG 27 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 526GT UT WOS:000272276400005 ER PT J AU Sollerman, J Mortsell, E Davis, TM Blomqvist, M Bassett, B Becker, AC Cinabro, D Filippenko, AV Foley, RJ Frieman, J Garnavich, P Lampeitl, H Marriner, J Miquel, R Nichol, RC Richmond, MW Sako, M Schneider, DP Smith, M Vanderplas, JT Wheeler, JC AF Sollerman, J. Mortsell, E. Davis, T. M. Blomqvist, M. Bassett, B. Becker, A. C. Cinabro, D. Filippenko, A. V. Foley, R. J. Frieman, J. Garnavich, P. Lampeitl, H. Marriner, J. Miquel, R. Nichol, R. C. Richmond, M. W. Sako, M. Schneider, D. P. Smith, M. Vanderplas, J. T. Wheeler, J. C. TI FIRST-YEAR SLOAN DIGITAL SKY SURVEY-II (SDSS-II) SUPERNOVA RESULTS: CONSTRAINTS ON NONSTANDARD COSMOLOGICAL MODELS SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology: observations; supernovae: general ID ANISOTROPY-PROBE OBSERVATIONS; DARK ENERGY CONSTRAINTS; HUBBLE-SPACE-TELESCOPE; IA SUPERNOVAE; LAMBDA; DISCOVERIES AB We use the new Type Ia supernovae discovered by the Sloan Digital Sky Survey-II supernova survey, together with additional supernova data sets as well as observations of the cosmic microwave background and baryon acoustic oscillations to constrain cosmological models. This complements the standard cosmology analysis presented by Kessler et al. in that we discuss and rank a number of the most popular nonstandard cosmology scenarios. When this combined data set is analyzed using the MLCS2k2 light-curve fitter, we find that more exotic models for cosmic acceleration provide a better fit to the data than the.CDM model. For example, the flat Dvali-Gabadadze-Porrati model is ranked higher by our information-criteria (IC) tests than the standard model with a flat universe and a cosmological constant. When the supernova data set is instead analyzed using the SALT-II light-curve fitter, the standard cosmological-constant model fares best. This investigation of how sensitive cosmological model selection is to assumptions about, and within, the light-curve fitters thereby highlights the need for an improved understanding of these unresolved systematic effects. Our investigation also includes inhomogeneous Lemaitre-Tolman-Bondi (LTB) models. While our LTB models can be made to fit the supernova data as well as any other model, the extra parameters they require are not supported by our IC analysis. Finally, we explore more model-independent ways to investigate the cosmic expansion based on this new data set. C1 [Sollerman, J.; Davis, T. M.] Univ Copenhagen, Niels Bohr Inst, Dark Cosmol Ctr, Copenhagen, Denmark. [Sollerman, J.; Blomqvist, M.] Stockholm Univ, Dept Astron, Oskar Klein Ctr, S-10691 Stockholm, Sweden. [Mortsell, E.] Stockholm Univ, Dept Phys, Oskar Klein Ctr, S-10691 Stockholm, Sweden. [Blomqvist, M.] Univ Queensland, Sch Math & Phys, Brisbane, Qld 4072, Australia. [Bassett, B.; Smith, M.] S African Astron Observ, ZA-7935 Obervatory, South Africa. [Bassett, B.; Smith, M.] Univ Cape Town, Dept Math & Appl Math, ZA-7701 Rondebosch, South Africa. [Becker, A. C.; Vanderplas, J. T.] Univ Washington, Dept Astron, Seattle, WA 98195 USA. [Cinabro, D.] Wayne State Univ, Dept Phys & Astron, Detroit, MI 48202 USA. [Filippenko, A. V.; Foley, R. J.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Foley, R. J.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Frieman, J.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Frieman, J.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Frieman, J.; Marriner, J.] Fermilab Natl Accelerator Lab, Ctr Astrophys, Batavia, IL 60510 USA. [Garnavich, P.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Lampeitl, H.; Nichol, R. C.; Smith, M.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Miquel, R.] Inst Catalana Recerca & Estudis Avancats, Barcelona, Spain. [Miquel, R.] Inst Fis Altes Energies, E-08193 Barcelona, Spain. [Richmond, M. W.] Rochester Inst Technol, Dept Phys, Rochester, NY 14623 USA. [Sako, M.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Schneider, D. P.] Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. [Wheeler, J. C.] Univ Texas Austin, Dept Astron, Austin, TX 78712 USA. RP Sollerman, J (reprint author), Univ Copenhagen, Niels Bohr Inst, Dark Cosmol Ctr, Juliane Maries Vej 30, Copenhagen, Denmark. RI Davis, Tamara/A-4280-2008; OI Davis, Tamara/0000-0002-4213-8783; Sollerman, Jesper/0000-0003-1546-6615; Miquel, Ramon/0000-0002-6610-4836 NR 44 TC 95 Z9 95 U1 1 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD OCT 1 PY 2009 VL 703 IS 2 BP 1374 EP 1385 DI 10.1088/0004-637X/703/2/1374 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 495XS UT WOS:000269929500019 ER PT J AU Makarov, VV Eggleton, PP AF Makarov, V. V. Eggleton, P. P. TI THE ORIGIN OF BRIGHT X-RAY SOURCES IN MULTIPLE STARS SO ASTROPHYSICAL JOURNAL LA English DT Article DE binaries: close; stars: activity; stars: individual (AB Dor, BO Mic, TZ CrB) ID ALL-SKY SURVEY; ACTIVE-CHROMOSPHERE STARS; CLOSE BINARY-SYSTEMS; CONTACT BINARIES; ADDITIONAL COMPONENTS; MAGNETIC BRAKING; TIDAL FRICTION; EVOLUTION; CATALOG; HYADES AB Luminous X-ray stars are very often found in visual double or multiple stars. Binaries with periods of a few days possess the highest degree of coronal X-ray activity among regular, non-relativistic stars because of their fast, tidally driven rotation. But the orbital periods in visual double stars are too large for any direct interaction between the companions to take place. We suggest that most of the strongest X-ray components in resolved binaries are yet-undiscovered short-period binaries, and that a few aremerged remnants of such binaries. The omnipresence of short-period active stars, e. g., of BY-Dra-type binaries, in multiple systems is explained via the dynamical evolution of triple stars with large mutual inclinations. The dynamical perturbation on the inner pair pumps up the eccentricity in a cyclic manner, a phenomenon known asKozai cycling. At times of close periapsis, tidal friction reduces the angular momentum of the binary, causing it to shrink. When the orbital period of the inner pair drops to a fewdays, fast surface rotation of the companions is driven by tidal forces, boosting activity by a few orders of magnitude. If the period drops still further, a merger may take place leaving a rapidly rotating active dwarf with only a distant companion. C1 [Makarov, V. V.] CALTECH, NASA, Exoplanet Sci Inst, Pasadena, CA 91125 USA. [Eggleton, P. P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Makarov, VV (reprint author), CALTECH, NASA, Exoplanet Sci Inst, Pasadena, CA 91125 USA. EM valeri.makarov@jpl.nasa.gov; eggleton1@llnl.gov OI Makarov, Valeri/0000-0003-2336-7887 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC5207NA27344] FX The research described in this paper was carried out partly at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. This work was also performed partly under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC5207NA27344. This research has made use of the SIMBAD database, operated at CDS, Strasbourg, France; and data products from the 2MASS, which is a joint project of the University of Massachusetts and the Infrared Processing and Analysis Center, California Institute of Technology, funded by NASA and the NSF. NR 39 TC 10 Z9 10 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD OCT 1 PY 2009 VL 703 IS 2 BP 1760 EP 1765 DI 10.1088/0004-637X/703/2/1760 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 495XS UT WOS:000269929500045 ER PT J AU Volonteri, M Gnedin, NY AF Volonteri, Marta Gnedin, Nickolay Y. TI RELATIVE ROLE OF STARS AND QUASARS IN COSMIC REIONIZATION SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology: theory; galaxies: formation; intergalactic medium; large-scale structure of universe ID SUPERMASSIVE BLACK-HOLES; INTERGALACTIC MEDIUM; RADIATIVE-TRANSFER; GALAXY FORMATION; IONIZING SOURCES; HIGH-REDSHIFT; 1ST GALAXIES; X-RAYS; IONIZATION; EVOLUTION AB We revisit the classical view that quasar contribution to the reionization of hydrogen is unimportant. When secondary ionizations are taken into account, in many plausible scenarios for the formation and growth of supermassive black holes quasars contribute substantially or even dominantly at z greater than or similar to 8, although their contribution generally falls below that of star-forming galaxies by z = 6. Theoretical models that guide the design of the first generation of redshifted 21 cm experiments must, therefore, substantially account for the quasar contribution in order to be even qualitatively accurate. C1 [Volonteri, Marta] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Gnedin, Nickolay Y.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Gnedin, Nickolay Y.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Gnedin, Nickolay Y.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. RP Volonteri, M (reprint author), Univ Michigan, Dept Astron, 500 Church St, Ann Arbor, MI 48109 USA. EM martav@umich.edu; gnedin@fnal.gov FU DOE; NSF [AST0507596]; Kavli Institute for Cosmological Physics at the University of Chicago; NASA through Chandra Award [TM9-0006X] FX We are grateful to the anonymous referee for constructive and ensightful comment and to Andrey Kravtsov for the permission to use his halo mass function code free of charge. This work was supported in part by the DOE, by the NSF grant AST0507596, and by the Kavli Institute for Cosmological Physics at the University of Chicago (N.Y.G.). Support for this work was also provided by NASA through Chandra Award Number TM9-0006X (M.V.). NR 43 TC 49 Z9 49 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD OCT 1 PY 2009 VL 703 IS 2 BP 2113 EP 2117 DI 10.1088/0004-637X/703/2/2113 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 495XS UT WOS:000269929500078 ER PT J AU Schlaufman, KC Rockosi, CM Prieto, CA Beers, TC Bizyaev, D Brewington, H Lee, YS Malanushenko, V Malanushenko, E Oravetz, D Pan, K Simmons, A Snedden, S Yanny, B AF Schlaufman, Kevin C. Rockosi, Constance M. Prieto, Carlos Allende Beers, Timothy C. Bizyaev, Dmitry Brewington, Howard Lee, Young Sun Malanushenko, Viktor Malanushenko, Elena Oravetz, Dan Pan, Kaike Simmons, Audrey Snedden, Stephanie Yanny, Brian TI INSIGHT INTO THE FORMATION OF THE MILKY WAY THROUGH COLD HALO SUBSTRUCTURE. I. THE ECHOS OF MILKY WAY FORMATION SO ASTROPHYSICAL JOURNAL LA English DT Review DE Galaxy: formation; Galaxy: halo; Galaxy: kinematics and dynamics ID DIGITAL SKY SURVEY; HORIZONTAL-BRANCH STARS; SURVEY COMMISSIONING DATA; SAGITTARIUS DWARF GALAXY; METAL-POOR STARS; GLOBULAR-CLUSTER PALOMAR-5; MEDIUM-RESOLUTION SPECTRA; SURVEY PHOTOMETRIC SYSTEM; VELOCITY EXPERIMENT RAVE; DARK-MATTER UNIVERSE AB We identify 10-seven for the first time-elements of cold halo substructure (ECHOS) in the volume within 17.5 kpc of the Sun in the inner halo of the Milky Way. Our result is based on the observed spatial and radial velocity distribution of metal-poor main-sequence turnoff (MPMSTO) stars in 137 Sloan Extension for Galactic Understanding and Exploration lines of sight. We point out that the observed radial velocity distribution is consistent with a smooth stellar component of the Milky Way's inner halo overall, but disagrees significantly at the radial velocities that correspond to our detections. We show that all of our detections are statistically significant and that we expect no false positives. These ECHOS represent the observable stellar debris of ancient merger events in the stellar accretion history of the Milky Way, and we use our detections and completeness estimates to infer a formal upper limit of 0.34(-0.02)(+0.02) on the fraction of the MPMSTO population in the inner halo that belong to ECHOS. Our detections and completeness calculations also suggest that there is a significant population of low fractional overdensity ECHOS in the inner halo, and we predict that 1/3 of the inner halo (by volume) harbors ECHOS with MPMSTO star number densities n approximate to 15 kpc(-3). In addition, we estimate that there are of order 10(3) ECHOS in the entire inner halo. ECHOS are likely older than known surface brightness substructure, so our detections provide us with a direct measure of the accretion history of the Milky Way in a region and time interval that has yet to be fully explored. In concert with previous studies, our result suggests that the level of merger activity has been roughly constant over the past few Gyr and that there has been no accretion of single stellar systems more massive than a few percent of a Milky Way mass in that interval. C1 [Schlaufman, Kevin C.; Rockosi, Constance M.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Prieto, Carlos Allende] Univ Texas Austin, Dept Astron, Austin, TX 78712 USA. [Prieto, Carlos Allende] Univ Texas Austin, McDonald Observ, Austin, TX 78712 USA. [Beers, Timothy C.; Lee, Young Sun] Michigan State Univ, Ctr Study Cosm Evolut, Dept Phys & Astron, E Lansing, MI 48824 USA. [Beers, Timothy C.; Lee, Young Sun] Michigan State Univ, Joint Inst Nucl Astrophys, E Lansing, MI 48824 USA. [Bizyaev, Dmitry; Brewington, Howard; Malanushenko, Viktor; Malanushenko, Elena; Oravetz, Dan; Pan, Kaike; Simmons, Audrey; Snedden, Stephanie] Apache Point Observ, Sunspot, NM 88349 USA. [Yanny, Brian] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Schlaufman, KC (reprint author), Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. EM kcs@ucolick.org; crockosi@ucolick.org; cap@mssl.ucl.ac.uk; beers@pa.msu.edu; dmbiz@apo.nmsu.edu; hjbrew@apo.nmsu.edu; lee@pa.msu.edu; viktorm@apo.nmsu.edu; elenam@apo.nmsu.edu; doravetz@apo.nmsu.edu; kpan@apo.nmsu.edu; asimmons@apo.nmsu.edu; snedden@apo.nmsu.edu; yanny@fnal.gov NR 123 TC 65 Z9 65 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD OCT 1 PY 2009 VL 703 IS 2 BP 2177 EP 2204 DI 10.1088/0004-637X/703/2/2177 PG 28 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 495XS UT WOS:000269929500085 ER PT J AU Sheldon, ES Johnston, DE Scranton, R Koester, BP Mckay, TA Oyaizu, H Cunha, C Lima, M Lin, H Frieman, JA Wechsler, RH Annis, J Mandelbaum, R Bahcall, NA Fukugita, M AF Sheldon, Erin S. Johnston, David E. Scranton, Ryan Koester, Benjamin P. McKay, Timothy A. Oyaizu, Hiroaki Cunha, Carlos Lima, Marcos Lin, Huan Frieman, Joshua A. Wechsler, Risa H. Annis, James Mandelbaum, Rachel Bahcall, Neta A. Fukugita, Masataka TI CROSS-CORRELATION WEAK LENSING OF SDSS GALAXY CLUSTERS. I. MEASUREMENTS SO ASTROPHYSICAL JOURNAL LA English DT Article DE dark matter; galaxies: clusters: general; gravitational lensing; large-scale structure of universe ID DIGITAL SKY SURVEY; SPECTROSCOPIC TARGET SELECTION; MASS CORRELATION-FUNCTION; DARK-MATTER HALOES; LARGE-SCALE BIAS; REDSHIFT SURVEY; DENSITY PROFILE; DATA RELEASE; SAMPLE; CALIBRATION AB This is the first in a series of papers on the weak lensing effect caused by clusters of galaxies in Sloan Digital Sky Survey. The photometrically selected cluster sample, known as MaxBCG, includes similar to 130,000 objects between redshift 0.1 and 0.3, ranging in size from small groups to massive clusters. We split the clusters into bins of richness and luminosity and stack the surface density contrast to produce mean radial profiles. The mean profiles are detected over a range of scales, from the inner halo (25 kpc h(-1)) well into the surrounding large-scale structure (30 Mpc h(-1)), with a significance of 15 to 20 in each bin. The signal over this large range of scales is best interpreted in terms of the cluster-mass cross-correlation function. We pay careful attention to sources of systematic error, correcting for them where possible. The resulting signals are calibrated to the similar to 10% level, with the dominant remaining uncertainty being the redshift distribution of the background sources. We find that the profiles scale strongly with richness and luminosity. We find that the signal within a given richness bin depends upon luminosity, suggesting that luminosity is more closely correlated with mass than galaxy counts. We split the samples by redshift but detect no significant evolution. The profiles are not well described by power laws. In a subsequent series of papers, we invert the profiles to three-dimensional mass profiles, show that they are well fit by a halo model description, measure mass-to-light ratios, and provide a cosmological interpretation. C1 [Sheldon, Erin S.] Brookhaven Natl Lab, New York, NY 11973 USA. [Sheldon, Erin S.] New York Univ, Dept Phys, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [Johnston, David E.] CALTECH, Dept Astron, Pasadena, CA 91125 USA. [Johnston, David E.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Scranton, Ryan] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Koester, Benjamin P.; Oyaizu, Hiroaki; Cunha, Carlos; Lima, Marcos; Frieman, Joshua A.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Koester, Benjamin P.; Oyaizu, Hiroaki; Cunha, Carlos; Frieman, Joshua A.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [McKay, Timothy A.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [McKay, Timothy A.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [McKay, Timothy A.] Univ Michigan, Michigan Ctr Theoret Phys, Ann Arbor, MI 48109 USA. [Lima, Marcos] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Lin, Huan; Frieman, Joshua A.; Annis, James] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Wechsler, Risa H.] Stanford Univ, Dept Phys, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. [Wechsler, Risa H.] Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94305 USA. [Mandelbaum, Rachel] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Bahcall, Neta A.] Princeton Univ Observ, Princeton, NJ 08544 USA. [Fukugita, Masataka] Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba 2778582, Japan. RP Sheldon, ES (reprint author), Brookhaven Natl Lab, New York, NY 11973 USA. RI Lima, Marcos/E-8378-2010; McKay, Timothy/C-1501-2009; Mandelbaum, Rachel/N-8955-2014 OI McKay, Timothy/0000-0001-9036-6150; Mandelbaum, Rachel/0000-0003-2271-1527 FU NSF [AST-0428465, AST-044327]; U.S. Department of Energy [DEAC0298CH10886, DE-FG0208ER41567]; Alfred P. Sloan Foundation; National Science Foundation; National Aeronautics and Space Administration; Japanese Monbukagakusho; Max Planck Society; Higher Education Funding Council for England FX E. S. S. was supported in part by NSF grant AST-0428465 and the U.S. Department of Energy under contract No. DEAC0298CH10886. B. P. K. and T. A. M. gratefully acknowledge support from NSF grant AST-044327 and the Michigan Center for Theoretical Physics. D. E. J. received partial support from the U.S. Department of Energy under contract number DE-FG0208ER41567. The research described in this paperwas performed in part at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. Funding for the SDSS and SDSS-II has been provided by the Alfred P. Sloan Foundation, the ParticipatingInstitutions, the National Science Foundation, the U.S. Department of Energy, the National Aeronautics and Space Administration, the Japanese Monbukagakusho, the Max Planck Society, and the Higher Education Funding Council for England. The SDSS Web site is http://www.sdss.org/. NR 80 TC 89 Z9 89 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD OCT 1 PY 2009 VL 703 IS 2 BP 2217 EP 2231 DI 10.1088/0004-637X/703/2/2217 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 495XS UT WOS:000269929500087 ER PT J AU Sheldon, ES Johnston, DE Masjedi, M Mckay, TA Blanton, MR Scranton, R Wechsler, RH Koester, BP Hansen, SM Frieman, JA Annis, J AF Sheldon, Erin S. Johnston, David E. Masjedi, Morad McKay, Timothy A. Blanton, Michael R. Scranton, Ryan Wechsler, Risa H. Koester, Benjamin P. Hansen, Sarah M. Frieman, Joshua A. Annis, James TI CROSS-CORRELATION WEAK LENSING OF SDSS GALAXY CLUSTERS. III. MASS-TO-LIGHT RATIOS SO ASTROPHYSICAL JOURNAL LA English DT Article DE dark matter; galaxies: clusters: general; gravitational lensing; large-scale structure of universe ID DIGITAL SKY SURVEY; NEAR-INFRARED PROPERTIES; HALO OCCUPATION NUMBER; LARGE-SCALE BIAS; DARK-MATTER; LUMINOSITY FUNCTIONS; DEPENDENCE; PROFILES; SEQUENCE; MAXBCG AB We present measurements of the excess mass-to-light ratio (M/L) measured around MaxBCG galaxy clusters observed in the Sloan Digital Sky Survey. This red-sequence cluster sample includes objects from small groups with M(200) similar to 5 x 10(12) h(-1) M(circle dot) to clusters with M(200) similar to 10(15) h(-1) M(circle dot). Using cross-correlation weak lensing, we measure the excess mass density profile above the universal mean Delta rho(r) = rho(r) - (rho) over bar for clusters in bins of richness and optical luminosity. We also measure the excess luminosity density Delta l(r) = l(r) - (l) over bar measured in the z = 0.25 i band. For both mass and light, we de-project the profiles to produce three-dimensional mass and light profiles over scales from 25 h(-1) kpc to 22 h(-1) Mpc. From these profiles we calculate the cumulative excess mass Delta M(r) and excess light Delta L(r) as a function of separation from the BCG. On small scales, where rho(r) >> (rho) over bar the integrated mass-to-light profile (Delta M/Delta L)(r) may be interpreted as the cluster M/L. We find the (Delta M/Delta L)(200), the M/L within r(200), scales with cluster mass as a power law with index 0.33 +/- 0.02. On large scales, where rho(r) similar to (rho) over bar the Delta M/Delta L approaches an asymptotic value independent of cluster richness. For small groups, the mean (Delta M/Delta L)(200) is much smaller than the asymptotic value, while for large clusters (Delta M/Delta L)(200) is consistent with the asymptotic value. This asymptotic value should be proportional to the mean M/L of the universe < M/L >. We find < M/L > b(M/L)(-2) = 362 +/- 54h (statistical). There is additional uncertainty in the overall calibration at the similar to 10% level. The parameter b(M/L)(2) is primarily a function of the bias of the L less than or similar to L(*) galaxies used as light tracers, and should be of order unity. Multiplying by the luminosity density in the same bandpass we find Omega(m)b(M/L)(-2) = 0.20 +/- 0.03, independent of the Hubble parameter. C1 [Sheldon, Erin S.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Sheldon, Erin S.; Masjedi, Morad; Blanton, Michael R.] New York Univ, Dept Phys, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [Johnston, David E.] CALTECH, Dept Astron, Pasadena, CA 91125 USA. [Johnston, David E.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [McKay, Timothy A.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [McKay, Timothy A.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [McKay, Timothy A.] Univ Michigan, Michigan Ctr Theoret Phys, Ann Arbor, MI 48109 USA. [Scranton, Ryan] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Wechsler, Risa H.] Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94305 USA. [Wechsler, Risa H.] Stanford Univ, Dept Phys, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. [Koester, Benjamin P.; Hansen, Sarah M.; Frieman, Joshua A.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Koester, Benjamin P.; Hansen, Sarah M.; Frieman, Joshua A.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Frieman, Joshua A.; Annis, James] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Sheldon, ES (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. RI McKay, Timothy/C-1501-2009 OI McKay, Timothy/0000-0001-9036-6150 FU NSF [AST-0428465, AST-044327]; U.S. Department of Energy [DE-AC0298CH10886, FG0208ER41567] FX E. S. S. was supported by NSF grant AST-0428465 and the U.S. Department of Energy under contract No. DE-AC0298CH10886. B. P. K. and T. A. M. gratefully acknowledge support from NSF grant AST-044327 and the Michigan Center for Theoretical Physics. D. E. J. received partial support from the U. S. Department of Energy under contract number DE-FG0208ER41567. The research described in this paperwas performed in part at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. NR 63 TC 54 Z9 54 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD OCT 1 PY 2009 VL 703 IS 2 BP 2232 EP 2248 DI 10.1088/0004-637X/703/2/2232 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 495XS UT WOS:000269929500088 ER PT J AU Abdo, AA Allen, BT Aune, T Berley, D Chen, C Christopher, GE DeYoung, T Dingus, BL Ellsworth, RW Gonzalez, MM Goodman, JA Hays, E Hoffman, CM Huentemeyer, PH Kolterman, BE Linnemann, JT McEnery, JE Morgan, T Mincer, AI Nemethy, P Pretz, J Ryan, JM Parkinson, PMS Shoup, A Sinnis, G Smith, AJ Vasileiou, V Walker, GP Williams, DA Yodh, GB AF Abdo, A. A. Allen, B. T. Aune, T. Berley, D. Chen, C. Christopher, G. E. DeYoung, T. Dingus, B. L. Ellsworth, R. W. Gonzalez, M. M. Goodman, J. A. Hays, E. Hoffman, C. M. Huentemeyer, P. H. Kolterman, B. E. Linnemann, J. T. McEnery, J. E. Morgan, T. Mincer, A. I. Nemethy, P. Pretz, J. Ryan, J. M. Parkinson, P. M. Saz Shoup, A. Sinnis, G. Smith, A. J. Vasileiou, V. Walker, G. P. Williams, D. A. Yodh, G. B. TI MILAGRO OBSERVATIONS OF MULTI-TeV EMISSION FROM GALACTIC SOURCES IN THE FERMI BRIGHT SOURCE LIST (vol 700, pg L127, 2009) SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Correction C1 [Abdo, A. A.; Linnemann, J. T.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Allen, B. T.; Chen, C.; Yodh, G. B.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Aune, T.; Parkinson, P. M. Saz; Williams, D. A.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Berley, D.; Goodman, J. A.; Smith, A. J.; Vasileiou, V.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [Christopher, G. E.; Kolterman, B. E.; Mincer, A. I.; Nemethy, P.] New York Univ, Dept Phys, New York, NY 10003 USA. [DeYoung, T.] Penn State Univ, Dept Phys, University Pk, PA 16802 USA. [Dingus, B. L.; Hoffman, C. M.; Pretz, J.; Sinnis, G.; Walker, G. P.] Los Alamos Natl Lab, Grp P 23, Los Alamos, NM 87545 USA. [Ellsworth, R. W.] George Mason Univ, Dept Phys & Astron, Fairfax, VA 22030 USA. [Gonzalez, M. M.] Univ Nacl Autonoma Mexico, Inst Astron, Mexico City 04510, DF, Mexico. [Hays, E.; McEnery, J. E.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Huentemeyer, P. H.] Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. [Ryan, J. M.] Univ New Hampshire, Dept Phys, Durham, NH 03824 USA. [Shoup, A.] Ohio State Univ, Lima, OH 45804 USA. [Vasileiou, V.] NASA, Goddard Space Flight Ctr, CRESST, Greenbelt, MD 20771 USA. [Vasileiou, V.] Univ Maryland, Baltimore, MD 21250 USA. RP Abdo, AA (reprint author), USN, Res Lab, Div Space Sci, Washington, DC 20375 USA. RI McEnery, Julie/D-6612-2012; Hays, Elizabeth/D-3257-2012 NR 1 TC 3 Z9 3 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD OCT 1 PY 2009 VL 703 IS 2 BP L185 EP L185 DI 10.1088/0004-637X/703/2/L185 PG 1 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 496XV UT WOS:000270014600021 ER PT J AU Lilly, SJ Le Brun, V Maier, C Mainieri, V Mignoli, M Scodeggio, M Zamorani, G Carollo, M Contini, T Kneib, JP Le Fevre, O Renzini, A Bardelli, S Bolzonella, M Bongiorno, A Caputi, K Coppa, G Cucciati, O de la Torre, S de Ravel, L Franzetti, P Garilli, B Iovino, A Kampczyk, P Kovac, K Knobel, C Lamareille, F Le Borgne, JF Pello, R Peng, YJ Perez-Montero, E Ricciardelli, E Silverman, JD Tanaka, M Tasca, L Tresse, L Vergani, D Zucca, E Ilbert, O Salvato, M Oesch, P Abbas, U Bottini, D Capak, P Cappi, A Cassata, P Cimatti, A Elvis, M Fumana, M Guzzo, L Hasinger, G Koekemoer, A Leauthaud, A Maccagni, D Marinoni, C McCracken, H Memeo, P Meneux, B Porciani, C Pozzetti, L Sanders, D Scaramella, R Scarlata, C Scoville, N Shopbell, P Taniguchi, Y AF Lilly, Simon J. Le Brun, Vincent Maier, Christian Mainieri, Vincenzo Mignoli, Marco Scodeggio, Marco Zamorani, Gianni Carollo, Marcella Contini, Thierry Kneib, Jean-Paul Le Fevre, Olivier Renzini, Alvio Bardelli, Sandro Bolzonella, Micol Bongiorno, Angela Caputi, Karina Coppa, Graziano Cucciati, Olga de la Torre, Sylvain de Ravel, Loic Franzetti, Paolo Garilli, Bianca Iovino, Angela Kampczyk, Pawel Kovac, Katarina Knobel, Christian Lamareille, Fabrice Le Borgne, Jean-Francois Pello, Roser Peng, Yingjie Perez-Montero, Enrique Ricciardelli, Elena Silverman, John D. Tanaka, Masayuki Tasca, Lidia Tresse, Laurence Vergani, Daniela Zucca, Elena Ilbert, Olivier Salvato, Mara Oesch, Pascal Abbas, Umi Bottini, Dario Capak, Peter Cappi, Alberto Cassata, Paolo Cimatti, Andrea Elvis, Martin Fumana, Marco Guzzo, Luigi Hasinger, Gunther Koekemoer, Anton Leauthaud, Alexei Maccagni, Dario Marinoni, Christian McCracken, Henry Memeo, Pierdomenico Meneux, Baptiste Porciani, Cristiano Pozzetti, Lucia Sanders, David Scaramella, Roberto Scarlata, Claudia Scoville, Nick Shopbell, Patrick Taniguchi, Yoshiaki TI THE zCOSMOS 10k-BRIGHT SPECTROSCOPIC SAMPLE SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE cosmology: observations; galaxies: active; galaxies: distances and redshifts; galaxies: evolution; large-scale structure of universe; quasars: general; surveys ID ACTIVE GALACTIC NUCLEI; COSMOS FIELD; PHOTOMETRIC REDSHIFT; STAR-FORMATION; GALAXIES; DENSITY; CATALOG; EVOLUTION; SPECTRA AB We present spectroscopic redshiftsof a large sample of galaxies with I(AB)< 22.5 in the COSMOS field, measured from spectra of 10,644 objects that have been obtained in the first two years of observations in the zCOSMOS-bright redshift survey. These include a statistically complete subset of 10,109 objects. The average accuracy of individual redshifts is 110 km s(-1), independent of redshift. The reliability of individual redshifts is described by a Confidence Class that has been empirically calibrated through repeat spectroscopic observations of over 600 galaxies. There is very good agreement between spectroscopic and photometric redshifts for the most secure Confidence Classes. For the less secure Confidence Classes, there is a good correspondence between the fraction of objects with a consistent photometric redshift and the spectroscopic repeatability, suggesting that the photometric redshifts can be used to indicate which of the less secure spectroscopic redshifts are likely right and which are probably wrong, and to give an indication of the nature of objects for which we failed to determine a redshift. Using this approach, we can construct a spectroscopic sample that is 99% reliable and which is 88% complete in the sample as a whole, and 95% complete in the redshift range 0.5 < z < 0.8. The luminosity and mass completeness levels of the zCOSMOS-bright sample of galaxies is also discussed. C1 [Lilly, Simon J.; Maier, Christian; Carollo, Marcella; Caputi, Karina; Kampczyk, Pawel; Kovac, Katarina; Knobel, Christian; Peng, Yingjie; Silverman, John D.; Oesch, Pascal; Porciani, Cristiano] ETH, Inst Astron, CH-8093 Zurich, Switzerland. [Le Brun, Vincent; Kneib, Jean-Paul; Le Fevre, Olivier; de la Torre, Sylvain; de Ravel, Loic; Tasca, Lidia; Tresse, Laurence; Abbas, Umi; Cassata, Paolo] Lab Astrophys Marseille, F-13388 Marseille 13, France. [Mainieri, Vincenzo; Tanaka, Masayuki] European So Observ, D-85748 Garching, Germany. [Mignoli, Marco; Zamorani, Gianni; Bardelli, Sandro; Bolzonella, Micol; Coppa, Graziano; Cappi, Alberto; Pozzetti, Lucia] Osservatorio Astron Bologna, INAF, I-40127 Bologna, Italy. [Scodeggio, Marco; Franzetti, Paolo; Garilli, Bianca; Bottini, Dario; Fumana, Marco; Maccagni, Dario; Memeo, Pierdomenico] INAF IASF Milano, I-20133 Milan, Italy. [Contini, Thierry; Lamareille, Fabrice; Le Borgne, Jean-Francois; Pello, Roser; Perez-Montero, Enrique] Univ Toulouse, Lab Astrophys Toulouse Tarbes, F-31400 Toulouse, France. [Renzini, Alvio; Ricciardelli, Elena] Univ Padua, Dipartimento Astron, I-35122 Padua, Italy. [Bongiorno, Angela; Hasinger, Gunther; Meneux, Baptiste] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Iovino, Angela; Guzzo, Luigi] Osserv Astron Brera, INAF, I-20121 Milan, Italy. [Ilbert, Olivier; Sanders, David] Univ Hawaii, Honolulu, HI 96822 USA. [Salvato, Mara; Capak, Peter; Cimatti, Andrea; Scarlata, Claudia; Scoville, Nick; Shopbell, Patrick] CALTECH, Dept Astron, Pasadena, CA 91125 USA. Univ Bologna, Dipartimento Astron, I-40127 Bologna, Italy. [Elvis, Martin] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Koekemoer, Anton] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Leauthaud, Alexei] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA. [Marinoni, Christian; McCracken, Henry] Ctr Phys Theor, F-13288 Marseille 9, France. Univ Paris 06, Inst Astrophys Paris, UMR7095, CNRS, F-75014 Paris, France. [Scaramella, Roberto] Osserv Astron Roma, INAF, I-00040 Monte Porzio Catone, Italy. [Taniguchi, Yoshiaki] Ehime Univ, Matsuyama, Ehime 7908577, Japan. RP Lilly, SJ (reprint author), ETH, Inst Astron, Wolfgang Pauli Str 27, CH-8093 Zurich, Switzerland. RI Bolzonella, Micol/O-9495-2015; Zucca, Elena/O-9396-2015; Pello, Roser/G-4754-2010; Bardelli, Sandro/O-9369-2015; Le Fevre, Olivier/G-7389-2011; Kneib, Jean-Paul/A-7919-2015; Mignoli, Marco/O-9426-2015; Cappi, Alberto/O-9391-2015; OI Iovino, Angela/0000-0001-6958-0304; bottini, dario/0000-0001-6917-041X; Pozzetti, Lucia/0000-0001-7085-0412; Bongiorno, Angela/0000-0002-0101-6624; Scodeggio, Marco/0000-0002-2282-5850; Franzetti, Paolo/0000-0002-6986-0127; Vergani, Daniela/0000-0003-0898-2216; Scaramella, Roberto/0000-0003-2229-193X; Oesch, Pascal/0000-0001-5851-6649; Maier, Christian/0000-0001-6405-2182; Garilli, Bianca/0000-0001-7455-8750; Zamorani, Giovanni/0000-0002-2318-301X; Perez Montero, E/0000-0003-3985-4882; Koekemoer, Anton/0000-0002-6610-2048; Bolzonella, Micol/0000-0003-3278-4607; Zucca, Elena/0000-0002-5845-8132; Bardelli, Sandro/0000-0002-8900-0298; Kneib, Jean-Paul/0000-0002-4616-4989; Mignoli, Marco/0000-0002-9087-2835; Cappi, Alberto/0000-0002-9200-7167; Fumana, Marco/0000-0001-6787-5950 FU European Southern Observatory (ESO) Very Large Telescope (VLT) [175]; NASA/ESA Hubble Space Telescope [NAS 5-26555]; National Astronomical Observatory of Japan; National Research Council of Canada FX Based on observations undertaken at the European Southern Observatory (ESO) Very Large Telescope (VLT) under Large Program 175. A-0839. Also based on observations with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, operated by AURA Inc., under NASA contract NAS 5-26555, with the Subaru Telescope, operated by the National Astronomical Observatory of Japan, with the telescopes of the National Optical Astronomy Observatory, operated by the Association of Universities for Research in Astronomy, Inc. (AURA) under cooperative agreement with the National Science Foundation, and with the Canada -France -Hawaii Telescope, operated by the National Research Council of Canada, the Centre National de la Recherche Scientifique de France, and the University of Hawaii. NR 34 TC 257 Z9 257 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD OCT PY 2009 VL 184 IS 2 BP 218 EP 229 DI 10.1088/0067-0049/184/2/218 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 501NF UT WOS:000270387900002 ER PT J AU Wetzstein, M Nelson, AF Naab, T Burkert, A AF Wetzstein, M. Nelson, Andrew F. Naab, T. Burkert, A. TI VINE-A NUMERICAL CODE FOR SIMULATING ASTROPHYSICAL SYSTEMS USING PARTICLES. I. DESCRIPTION OF THE PHYSICS AND THE NUMERICAL METHODS SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Review DE galaxies: interactions; methods: N-body simulations; methods: numerical ID SPECIAL-PURPOSE COMPUTER; N-BODY SIMULATIONS; ULTRALUMINOUS INFRARED GALAXIES; DISC MERGER REMNANTS; DYNAMICAL EVOLUTION; HYDRODYNAMICS SIMULATIONS; COSMOLOGICAL SIMULATIONS; CIRCUMSTELLAR DISKS; SMOOTHING LENGTHS; ELLIPTIC GALAXIES AB We present a numerical code for simulating the evolution of astrophysical systems using particles to represent the underlying fluid flow. The code is written in Fortran 95 and is designed to be versatile, flexible, and extensible, with modular options that can be selected either at the time the code is compiled or at run time through a text input file. We include a number of general purpose modules describing a variety of physical processes commonly required in the astrophysical community and we expect that the effort required to integrate additional or alternate modules into the code will be small. In its simplest form the code can evolve the dynamical trajectories of a set of particles in two or three dimensions using a module which implements either a Leapfrog or Runge-Kutta-Fehlberg integrator, selected by the user at compile time. The user may choose to allow the integrator to evolve the system using individual time steps for each particle or with a single, global time step for all. Particles may interact gravitationally as N-body particles, and all or any subset may also interact hydrodynamically, using the smoothed particle hydrodynamic (SPH) method by selecting the SPH module. A third particle species can be included with a module to model massive point particles which may accrete nearby SPH or N-body particles. Such particles may be used to model, e. g., stars in a molecular cloud. Free boundary conditions are implemented by default, and a module may be selected to include periodic boundary conditions. We use a binary "Press" tree to organize particles for rapid access in gravity and SPH calculations. Modules implementing an interface with special purpose "GRAPE" hardware may also be selected to accelerate the gravity calculations. If available, forces obtained from the GRAPE coprocessors may be transparently substituted for those obtained from the tree, or both tree and GRAPE may be used as a combination GRAPE/tree code. The code may be run without modification on single processors or in parallel using OpenMP compiler directives on large-scale, shared memory parallel machines. We present simulations of several test problems, including a merger simulation of two elliptical galaxies with 800,000 particles. In comparison to the Gadget-2 code of Springel, the gravitational force calculation, which is the most costly part of any simulation including self-gravity, is similar to 4.6-4.9 times faster with VINE when tested on different snapshots of the elliptical galaxy merger simulation when run on an Itanium 2 processor in an SGI Altix. A full simulation of the same setup with eight processors is a factor of 2.91 faster with VINE. The code is available to the public under the terms of the Gnu General Public License. C1 [Wetzstein, M.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Wetzstein, M.; Naab, T.; Burkert, A.] Univ Sternwarte, D-81679 Munich, Germany. [Nelson, Andrew F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Naab, T.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. RP Wetzstein, M (reprint author), Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. EM mwetz@usm.lmu.de FU DFG; U. S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; Volkswagen Foundation [I/80 040]; [LA-UR 08-0429] FX We thank Willy Benz for his generous gift to so many, over so many years, of his SPH wisdom and the original code on which VINE is based. We thank the referee, Volker Springel, for many useful suggestions which improved the quality of the paper. Some of the computations reported here were performed on the SGI Altix 3700 Bx2 supercomputer at the University Observatory, Munich, which was partly funded and is supported by the DFG cluster of excellence "Origin and Structure of the Universe" (www.universe-cluster.de). Other computations and most of the code development used facilities at the UK Astrophysical Fluids Facility (UKAFF). Portions of this work were carried out under the auspices of the National Nuclear Security Administration of the U. S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396, for which this is publication LA-UR 08-0429. We thank S. Khochfar and M. Bertschik for their initial work on the implementation of the periodic boundaries. We thank Volker Springel for help with the Gadget-2 code as well as making a fix for a problem with the domain decomposition available to us. We thank Matthias Steinmetz for making the PPM results of the collapsing sphere test available to us. M. W. acknowledges support by Volkswagen Foundation under grant I/80 040. A. F. N. NR 108 TC 35 Z9 35 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD OCT PY 2009 VL 184 IS 2 BP 298 EP 325 DI 10.1088/0067-0049/184/2/298 PG 28 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 501NF UT WOS:000270387900008 ER PT J AU Nelson, AF Wetzstein, M Naab, T AF Nelson, Andrew F. Wetzstein, M. Naab, T. TI VINE-A NUMERICAL CODE FOR SIMULATING ASTROPHYSICAL SYSTEMS USING PARTICLES. II. IMPLEMENTATION AND PERFORMANCE CHARACTERISTICS SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE methods: N-body simulations; methods: numerical ID SPECIAL-PURPOSE COMPUTER; N-BODY SIMULATIONS; TREE DATA-STRUCTURES; GALAXIES; COLLISIONLESS; VECTORIZATION; ACCURACY; GRAPE-3; CLUSTER; MERGERS AB We continue our presentation of VINE. In this paper, we begin with a description of relevant architectural properties of the serial and shared memory parallel computers on which VINE is intended to run, and describe their influences on the design of the code itself. We continue with a detailed description of a number of optimizations made to the layout of the particle data in memory and to our implementation of a binary tree used to access that data for use in gravitational force calculations and searches for smoothed particle hydrodynamics (SPH) neighbor particles. We describe the modifications to the code necessary to obtain forces efficiently from special purpose "GRAPE" hardware, the interfaces required to allow transparent substitution of those forces in the code instead of those obtained from the tree, and the modifications necessary to use both tree and GRAPE together as a fused GRAPE/tree combination. We conclude with an extensive series of performance tests, which demonstrate that the code can be run efficiently and without modification in serial on small workstations or in parallel using the OpenMP compiler directives on large-scale, shared memory parallel machines. We analyze the effects of the code optimizations and estimate that they improve its overall performance by more than an order of magnitude over that obtained by many other tree codes. Scaled parallel performance of the gravity and SPH calculations, together the most costly components of most simulations, is nearly linear up to at least 120 processors on moderate sized test problems using the Origin 3000 architecture, and to the maximum machine sizes available to us on several other architectures. At similar accuracy, performance of VINE, used in GRAPE-tree mode, is approximately a factor 2 slower than that of VINE, used in host-only mode. Further optimizations of the GRAPE/host communications could improve the speed by as much as a factor of 3, but have not yet been implemented in VINE. Finally, we find that although parallel performance on small problems may reach a plateau beyond which more processors bring no additional speedup, performance never decreases, a factor important for running large simulations on many processors with individual time steps, where only a small fraction of the total particles require updates at any given moment. C1 [Nelson, Andrew F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Wetzstein, M.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Wetzstein, M.; Naab, T.] Univ Sternwarte, D-81679 Munich, Germany. [Naab, T.] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. RP Nelson, AF (reprint author), Los Alamos Natl Lab, HPC 5,MS B272, Los Alamos, NM 87545 USA. EM andy.nelson@lanl.gov FU U. S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396, LA-UR 08-0430]; Volkswagen Foundation [I/80 040] FX We thank Willy Benz for his generous gift to so many, over so many years, of his SPH wisdom and the original code on which VINE is based. We also thank the referee, Volker Springel, for his comments on this manuscript. Some of the computations reported here were performed using the UK Astrophysical Fluids Facility (UKAFF), on which this code was largely developed, and to whom AFN owes gratitude for financial support. A. F. N. thanks UKAFF system administrators Chris Rudge and Richard West for their helpful and continued cooperation with changes to system configuration that enabled various performance tests to be made during the development of this code. Portions of this work were performed on the SGI-Altix 3700 Bx2 supercomputer at the University Observatory, Munich, which was partly funded and is supported by the DFG cluster of excellence "Origin and Structure of the Universe" (www.universe-cluster.de). Portions of this work were carried out under the auspices of the National Nuclear Security Administration of the U. S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396, for which this is publication LA-UR 08-0430. Some of the computations presented here used facilities at the Rechenzentrum Garching of the Max-Planck-Gesellschaft. We thank Matthew Bate for making a set of initial conditions for our SPH tests runs available to us. M. W. acknowledges financial support by Volkswagen Foundation under grant I/80 040. NR 44 TC 25 Z9 25 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD OCT PY 2009 VL 184 IS 2 BP 326 EP 360 DI 10.1088/0067-0049/184/2/326 PG 35 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 501NF UT WOS:000270387900009 ER PT J AU Bazin, D Carpentier, X Brocheriou, I Dorfmuller, P Aubert, S Chappard, C Thiaudiere, D Reguer, S Waychunas, G Jungers, P Daudon, M AF Bazin, Dominique Carpentier, Xavier Brocheriou, Isabelle Dorfmuller, Peter Aubert, Stephane Chappard, Christine Thiaudiere, Dominique Reguer, Solenn Waychunas, Glenn Jungers, Paul Daudon, Michel TI Revisiting the localisation of Zn2+ cations sorbed on pathological apatite calcifications made through X-ray absorption spectroscopy SO BIOCHIMIE LA English DT Article; Proceedings Paper CT 4th International Conference on Metals and Genetics CY JUL, 2008 CL Descartes Univ, Fac Pharmacy, Paris, FRANCE HO Descartes Univ, Fac Pharmacy DE X-ray absorption spectroscopy; Pathological calcifications; Apatite; Oligoelements; Kidney stones; Cardiac valves; Bones ID CALCIUM PHOSPHATES; FINE-STRUCTURE; STRUCTURAL-CHARACTERIZATION; SUBSTITUTED HYDROXYAPATITE; SYNCHROTRON-RADIATION; INFRARED-SPECTROSCOPY; PRIMARY HYPEROXALURIA; ZINC INCORPORATION; URINARY STONES; STRONTIUM AB The role of oligo-elements such as Zn in the genesis of pathological calcifications is widely debated in the literature. An essential element of discussion is given by their localisation either at the surface or within the Ca apatite crystalline network. To determine the localisation, X-ray absorption experiments have been performed at SOLEIL The Exafs results suggest that Zn atoms, present in the Zn2+ form, are bound to about 4 0 atoms at a distance of 2.00 angstrom, while the interatomic distance R-CaO ranges between 2.35 angstrom and 2.71 angstrom. Taking into account the content of Zn (around 1000 ppm) and the difference in ionic radius between Zn2+ (0.074 nm) and Ca2+ (0.099 nm), a significant longer interatomic distance would be expected in the case of Zn replacing Ca within the apatite crystalline network. We thus conclude that Zn atoms are localised at the surface and not in the apatite nanocrystal structure. Such structural result has essential biological implications for at least two reasons. Some oligoelements have a marked effect on the transformation of chemical phases, and may modify the morphology of crystals. These are both major issues because, in the case of kidney stones, the medical treatment depends strongly on the precise chemical phase and on the morphology of the biological entities at both macroscopic and mesoscopic scales. (C) 2009 Elsevier Masson SAS. All rights reserved. C1 [Bazin, Dominique; Carpentier, Xavier] Univ Paris 11, Phys Solides Lab, F-91405 Orsay, France. [Carpentier, Xavier] Hop Tenon, AP HP, Serv Urol, F-75020 Paris, France. [Brocheriou, Isabelle; Dorfmuller, Peter] Hop La Pitie Salpetriere, AP HP, Serv Anatomopathol, F-75475 Paris 10, France. [Aubert, Stephane] Hop La Pitie Salpetriere, AP HP, Serv Cardiol, F-75475 Paris 10, France. [Chappard, Christine] CHR Orleans, INSERM, U658, F-45032 Orleans 2, France. [Thiaudiere, Dominique; Reguer, Solenn] Orme Merisiers, Synchrotron SOLEIL, F-91192 Gif Sur Yvette, France. [Waychunas, Glenn] Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Jungers, Paul] Hop Necker Enfants Malad, AP HP, Serv Nephrol, F-75743 Paris 15, France. [Daudon, Michel] Hop Necker Enfants Malad, AP HP, Serv Biochim A, F-75743 Paris 15, France. RP Bazin, D (reprint author), Univ Paris 11, Phys Solides Lab, Bat 510, F-91405 Orsay, France. EM bazin@lps.u-psud.fr RI bazin, Dominique/C-6306-2014; OI Dorfmuller, Peter/0000-0003-2499-6829 NR 61 TC 25 Z9 26 U1 0 U2 20 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 0300-9084 J9 BIOCHIMIE JI Biochimie PD OCT PY 2009 VL 91 IS 10 BP 1294 EP 1300 DI 10.1016/j.biochi.2009.05.009 PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 504SB UT WOS:000270636500015 PM 19497348 ER PT J AU Karpievitch, YV Taverner, T Adkins, JN Callister, SJ Anderson, GA Smith, RD Dabney, AR AF Karpievitch, Yuliya V. Taverner, Thomas Adkins, Joshua N. Callister, Stephen J. Anderson, Gordon A. Smith, Richard D. Dabney, Alan R. TI Normalization of peak intensities in bottom-up MS-based proteomics using singular value decomposition SO BIOINFORMATICS LA English DT Article ID MASS-SPECTROMETRY; MICROARRAY DATA; 2-CHANNEL MICROARRAYS; EXPERIMENTAL-DESIGN; ACCURATE MASS; ALIGNMENT; VARIANCE AB Motivation: LC-MS allows for the identification and quanti. cation of proteins from biological samples. As with any high-throughput technology, systematic biases are often observed in LC-MS data, making normalization an important preprocessing step. Normalization models need to be flexible enough to capture biases of arbitrary complexity, while avoiding over fitting that would invalidate downstream statistical inference. Careful normalization of MS peak intensities would enable greater accuracy and precision in quantitative comparisons of protein abundance levels. Results: We propose an algorithm, called EigenMS, that uses singular value decomposition to capture and remove biases from LC-MS peak intensity measurements. EigenMS is an adaptation of the surrogate variable analysis (SVA) algorithm of Leek and Storey, with the adaptations including (i) the handling of the widespread missing measurements that are typical in LC-MS, and (ii) a novel approach to preventing over fitting that facilitates the incorporation of EigenMS into an existing proteomics analysis pipeline. EigenMS is demonstrated using both large-scale calibration measurements and simulations to perform well relative to existing alternatives. C1 [Karpievitch, Yuliya V.; Dabney, Alan R.] Texas A&M Univ, Dept Stat, College Stn, TX 77843 USA. [Taverner, Thomas; Adkins, Joshua N.; Callister, Stephen J.; Anderson, Gordon A.; Smith, Richard D.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Karpievitch, YV (reprint author), Texas A&M Univ, Dept Stat, 3143 TAMU, College Stn, TX 77843 USA. EM yuliya@stat.tamu.edu RI Dabney, Alan/C-1171-2011; Smith, Richard/J-3664-2012; Adkins, Joshua/B-9881-2013 OI Smith, Richard/0000-0002-2381-2349; Adkins, Joshua/0000-0003-0399-0700 FU NIH [R25-CA-90301]; National Institute of Allergy and Infectious Diseases NIH/DHHS [Y1-AI-4894-01]; National Center for Research Resources [RR 18522]; DOE [DE-AC05-76RLO01830] FX NIH R25-CA-90301 training grant in biostatistics and bioinformatics at TAMU; the National Institute of Allergy and Infectious Diseases NIH/DHHS through interagency agreement Y1-AI-4894-01; National Center for Research Resources (NCRR grant no. RR 18522); PNNL is operated for the DOE Battelle Memorial Institute (contract DE-AC05-76RLO01830). NR 20 TC 33 Z9 33 U1 0 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD OCT 1 PY 2009 VL 25 IS 19 BP 2573 EP 2580 DI 10.1093/bioinformatics/btp426 PG 8 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 502HB UT WOS:000270446400017 PM 19602524 ER PT J AU Zimmermann, EA Launey, ME Barth, HD Ritchie, RO AF Zimmermann, Elizabeth A. Launey, Maximilien E. Barth, Holly D. Ritchie, Robert O. TI Mixed-mode fracture of human cortical bone SO BIOMATERIALS LA English DT Article DE Human cortical bone; Mixed-mode fracture; Fracture toughness; Fracture mechanisms ID CRACK-GROWTH; CEMENT LINES; TOUGHNESS; RESISTANCE; MICROSCOPY; INTERFACES; CERAMICS; SPECIMEN; BEHAVIOR; TENSION AB Although the mode I (tensile opening) fracture toughness has been the focus of most fracture mechanics studies of human cortical bone, bones in vivo are invariably loaded multiaxially. Consequently, an understanding of mixed-mode fracture is necessary to determine whether a mode I fracture toughness test provides the appropriate information to accurately quantify fracture risk. In this study, we examine the mixed-mode fracture of human cortical bone by characterizing the crack-initiation fracture toughness in the transverse (breaking) orientation under combined mode I (tensile opening) plus mode 11 (shear) loading using samples loaded in symmetric and asymmetric four-point bending. Whereas in most structural materials, the fracture toughness is increased with increasing mode-mixity (i.e., where the shear loading component gets larger), in the transverse orientation of bone the situation is quite different. Indeed, the competition between the maximum applied mechanical mixed-mode driving force and the weakest microstructural paths in bone results in a behavior that is distinctly different to most homogeneous brittle materials. Specifically, in this orientation, the fracture toughness of bone is markedly decreased with increasing mode-mixity. Published by Elsevier Ltd. C1 [Zimmermann, Elizabeth A.; Barth, Holly D.; Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Zimmermann, Elizabeth A.; Launey, Maximilien E.; Barth, Holly D.; Ritchie, Robert O.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Barth, Holly D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Expt Syst Grp, Berkeley, CA 94720 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, 216 Hearst Min Bldg,MC 1760, Berkeley, CA 94720 USA. EM roritchie@lbl.gov RI Ritchie, Robert/A-8066-2008; Zimmermann, Elizabeth/A-4010-2015; OI Ritchie, Robert/0000-0002-0501-6998; Zimmermann, Elizabeth/0000-0001-9927-3372 FU Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory (LBNL); U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory (LBNL), funded by the U.S. Department of Energy under contract no. DE-AC02-05CH11231. We acknowledge the use of the X-ray synchrotron micro-tomography beam line (8.3.2) at the Advanced Light Source at LBNL, supported by the Office of Science of the Department of Energy. The authors also wish to thank Professor Tony M. Keaveny and Mike Jekir, of the Mechanical Engineering Department at the University of California, Berkeley, for graciously allowing us to use their facilities to machine samples for this project. NR 30 TC 31 Z9 31 U1 2 U2 14 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-9612 J9 BIOMATERIALS JI Biomaterials PD OCT PY 2009 VL 30 IS 29 BP 5877 EP 5884 DI 10.1016/j.biomaterials.2009.06.017 PG 8 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 498CW UT WOS:000270115200069 PM 19573911 ER PT J AU Wang, S Foo, CWP Warrier, A Poo, MM Heilshorn, SC Zhang, X AF Wang, Sheng Foo, Cheryl Wong Po Warrier, Ajithkumar Poo, Mu-ming Heilshorn, Sarah C. Zhang, Xiang TI Gradient lithography of engineered proteins to fabricate 2D and 3D cell culture micro environments SO BIOMEDICAL MICRODEVICES LA English DT Article DE Protein patterning; Protein lithography; Protein gradient; DMD (digital micromirror device); Protein engineering; Non-canonical amino acids ID EXTRACELLULAR-MATRIX PROTEINS; GROWTH; STEREOLITHOGRAPHY; SPECIFICATION; MOLECULES; SCAFFOLDS; RESPONSES; SURFACES; GUIDANCE; PARALLEL AB Spatial patterning of proteins is a valuable technique for many biological applications and is the prevailing tool for defining microenvironments for cells in culture, a required procedure in developmental biology and tissue engineering research. However, it is still challenging to achieve protein patterns that closely mimic native microenvironments, such as gradient protein distributions with desirable mechanical properties. By combining projection dynamic mask lithography and protein engineering with non-canonical photosensitive amino acids, we demonstrate a simple, scalable strategy to fabricate any user-defined 2D or 3D stable gradient pattern with complex geometries from an artificial extracellular matrix (aECM) protein. We show that the elastic modulus and chemical nature of the gradient profile are biocompatible and allow useful applications in cell biological research. C1 [Foo, Cheryl Wong Po; Heilshorn, Sarah C.] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Zhang, Xiang] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Poo, Mu-ming] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Wang, Sheng] Univ Calif Berkeley, Appl Sci & Technol Grad Program, Berkeley, CA 94720 USA. [Wang, Sheng; Warrier, Ajithkumar; Zhang, Xiang] Univ Calif Berkeley, NSEC, NSF, Berkeley, CA 94720 USA. RP Heilshorn, SC (reprint author), Stanford Univ, Dept Mat Sci & Engn, 476 Lomita Mall,McCullough Bldg 246, Stanford, CA 94305 USA. EM heilshorn@stanford.edu; xiang@berkeley.edu RI Zhang, Xiang/F-6905-2011; Wang, Sheng/F-4095-2012 FU NIH [PN2 EY018228]; NSF [DMI-0327077] FX Phenylalanyl-auxotrophic Escherichia coli harboring the aECM plasmid and mutant PheRS gene was a kind gift from David Tirrell, Caltech. S. W., A. W. and X. Z. acknowledge financial support from NIH Nanomedicine Development Center (Center for Cell Control, PN2 EY018228) and NSF Nano-scale Science and Engineering Center (NSEC, DMI-0327077). NR 34 TC 26 Z9 26 U1 2 U2 15 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1387-2176 J9 BIOMED MICRODEVICES JI Biomed. Microdevices PD OCT PY 2009 VL 11 IS 5 BP 1127 EP 1134 DI 10.1007/s10544-009-9329-1 PG 8 WC Engineering, Biomedical; Nanoscience & Nanotechnology SC Engineering; Science & Technology - Other Topics GA 505GG UT WOS:000270679400019 PM 19495986 ER PT J AU Zhou, W Schuttler, HB Hao, ZQ Xu, Y AF Zhou, Wen Schuettler, Heinz-Bernd Hao, Zhiqian Xu, Ying TI Cellulose Hydrolysis in Evolving Substrate Morphologies I: A General Modeling Formalism SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE cellulose hydrolysis; substrate morphology; mathematical model; site number formalism ID ENZYMATIC-HYDROLYSIS; SIMULTANEOUS SACCHARIFICATION; MICROCRYSTALLINE CELLULOSE; FERMENTATION PROCESS; ELECTRON-MICROSCOPY; KINETICS; ADSORPTION; PRETREATMENT; ETHANOL; ENZYMES AB We develop a general framework for a realistic rate equation modeling of cellulose hydrolysis using non-complexed cellulase. Our proposed formalism, for the first time, takes into account explicitly the time evolution of the random substrate morphology resulting from the hydrolytic cellulose chain fragmentation and solubilization. This is achieved by integrating novel geometrical concepts to quantitatively capture the time-dependent random morphology, together with the enzymatic chain fragmentation, into a coupled morphology-plus-kinetics rate equation approach. In addition, an innovative site number representation, based on tracking available numbers of P(1,4) glucosidic bonds, of different "site" types, exposed to attacks by different enzyme types, is presented. This site number representation results in an ordinary differential equation (ODE) system, with a substantially reduced ODE system size, compared to earlier chain fragmentation kinetics approaches. This formalism enables us to quantitatively simulate both the hydrolytically evolving random substrate morphology and the profound, and heretofore neglected, morphology effects on the hydrolysis kinetics. By incorporating the evolving morphology on an equal footing with the hydrolytic chain fragmentation, our formalism provides a framework for the realistic modeling of the entire solubilization process, beyond the short-time limit and through near-complete hydrolytic conversion. As part I of two companion papers, the present paper focuses on the development of the general modelling formalism. Results and testable experimental predictions from detailed numerical simulations are presented in part II. Biotechnol. Bioeng. 2009;104: 261-274. (C) 2009 Wiley Periodicals, Inc. C1 [Schuettler, Heinz-Bernd; Hao, Zhiqian] Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. [Zhou, Wen; Xu, Ying] Univ Georgia, Dept Biochem & Mol Biol, Inst Bioinformat, Athens, GA 30602 USA. [Zhou, Wen; Xu, Ying] BESC, Oak Ridge, TN USA. RP Schuttler, HB (reprint author), Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. EM hbs@physast.uga.edu; xyn@bmb.uga.edu FU U.S. Department of Energy [4000063512]; National Science Foundation [NSF/DBI-0354771, NSF/ITR-IIS-0407204, NSF/DBI-0542119, NSF/CCF0621700] FX We acknowledge the U.S. Department of Energy (grant # 4000063512) and the National Science Foundation (grant #: NSF/DBI-0354771, NSF/ITR-IIS-0407204, NSF/DBI-0542119, and NSF/CCF0621700) for financial support. We also acknowledge computing support from the University of Georgia Research Computing Center. The BIoEnergy Science Center is supported by the Office of Biological and Environmental Research in the DOE Office of Science. NR 46 TC 32 Z9 33 U1 1 U2 12 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0006-3592 EI 1097-0290 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD OCT 1 PY 2009 VL 104 IS 2 BP 261 EP 274 DI 10.1002/bit.22389 PG 14 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 494VI UT WOS:000269846900005 PM 19575461 ER PT J AU Zhou, W Hao, ZQ Xu, Y Schuttler, HB AF Zhou, Wen Hao, Zhiqian Xu, Ying Schuettler, Heinz-Bernd TI Cellulose Hydrolysis in Evolving Substrate Morphologies II: Numerical Results and Analysis SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE cellulose hydrolysis; substrate morphology; mathematical model; site number formalism ID ENZYMATIC-HYDROLYSIS; SIMULTANEOUS SACCHARIFICATION; MICROCRYSTALLINE CELLULOSE; FERMENTATION PROCESS; TRICHODERMA-REESEI; MODEL; KINETICS; ADSORPTION; PRETREATMENT; ETHANOL AB Numerical simulation results are presented for a cellulose hydrolysis model which incorporates both the enzymatic glucan chain fragmentation kinetics and the hydrolytic substrate morphology evolution within the general framework of our companion article I. To test the local Poisson (LP) approximation employed in the site number formalism of I, we numerically compare it to the corresponding exact chain number formalism of I. The LP results agree to very high accuracy with the exact chain number kinetics, assuming realistic parameters. From simulations of different types of random and non-random model morphologies, we then show that the details of the random substrate morphology distribution, and its hydrolytic time evlolution, profoundly affect the hydrolysis kinetics. Essential, likely very general, experimentally testable featues of such morphology-based hydrolysis models are (i) the existence of two distinct time scales, associated with the hydrolysis of the outermost surface-exposed cellulose chains and, respectively of the entire substrate; (ii) a strongly morphology-dependent hydrolysis slow-down effect, which has also been observed in previous experimental work. Our results also suggest that previously proposed non-morphologic chain fragmentation models can only be applied to describe the hydrolytic short-time behavior in the low enzyme limit. Further experiments to test our modeling framework and its potential applications to the optimization of the hydrolytic conversion process are discussed. Biotechnol, Bioeng, 2009, 104: 275-289. (C) 2009 Wiley Periodicals, Inc. C1 [Zhou, Wen; Xu, Ying] Univ Georgia, Dept Biochem & Mol Biol, Inst Bioinformat, Athens, GA 30602 USA. [Zhou, Wen; Xu, Ying] BESC, Oak Ridge, TN USA. [Hao, Zhiqian; Schuettler, Heinz-Bernd] Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. RP Xu, Y (reprint author), Univ Georgia, Dept Biochem & Mol Biol, Inst Bioinformat, Athens, GA 30602 USA. EM xyn@bmb.uga.edu; hbs@physast.uga.edu FU U.S. Department of Energy [4000063512]; National Science Foundation [NSF/DBI-0354771, NSF/ITR-IIS-0407204, NSF/DBI-05421191, NSF/CCF0621700] FX Contract grant number: NSF/DBI-0354771; NSF/ITR-IIS-0407204; NSF/DBI-05421191 NSF/CCF0621700 NR 33 TC 20 Z9 20 U1 1 U2 4 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD OCT 1 PY 2009 VL 104 IS 2 BP 275 EP 289 DI 10.1002/bit.22388 PG 15 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 494VI UT WOS:000269846900006 PM 19526467 ER PT J AU Roche, CM Dibble, CJ Knutsen, JS Stickel, JJ Liberatore, MW AF Roche, Christine M. Dibble, Clare J. Knutsen, Jeffrey S. Stickel, Jonathan J. Liberatore, Matthew W. TI Particle Concentration and Yield Stress of Biomass Slurries During Enzymatic Hydrolysis at High-Solids Loadings SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE enzymatic hydrolysis; saccharification; ligno-cellulosic biomass; corn stover; high solids; rheology ID CORN STOVER; PRETREATMENT; SUSPENSIONS; SACCHARIFICATION; LIGNOCELLULOSE; OPPORTUNITIES; CHALLENGES; VISCOSITY; RHEOLOGY; ETHANOL AB Effective and efficient breakdown of ligno-cellulosic biomass remains a primary barrier for its use as a feedstock for renewable transportation fuels. A more detailed understanding of the material properties of biomass slurries during conversion is needed to design cost-effective conversion processes. A series of enzymatic saccharification experiments were performed with dilute acid pretreated corn stover at initial insoluble solids loadings of 20% by mass, during which the conventration of particulate solids and the rheological property yield stress (lambda(y)) of the slurries were measure. The saccharified stover liquefies to the point of being pourable (lambda(y) <= 10, Pa) at a total biomass conversion of about 40%, after roughly 2 days of saccharification for a moderate loading of enzyme. Mass balance and semi-empirical relationships are developed to connect the progress of enzymatic hydrolysis with particle concentration and yield stress. The experimental data show good agreement with the proposed relationships. The predictive models developed here are based on established physical principles and should be applicable to the saccharification of other biomass systems. The concepts presented, especially the ability to predict yield stress from extent of conversion will be helpful in the design and optimization of enzymatic hydrolysis processes that operate at high-solids loadings.Biotechnol, Bioeng, 2009, 104: 290-300. (C) 2009 Wiley Periodicals, Inc. C1 [Roche, Christine M.; Dibble, Clare J.; Stickel, Jonathan J.] Natl Bioenergy Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. [Knutsen, Jeffrey S.; Liberatore, Matthew W.] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. RP Stickel, JJ (reprint author), Natl Bioenergy Ctr, Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM jonathan.stickel@nrel.gov FU U.S. Department of Energy FX This work was funded by the U.S. Department of Energy through the Office of the Biomass Program. We would like to thank out NREL colleagues Melvin Tucker and Robert Lyons for their assistance with the RBR, Jody Farmer for his assistance with the HSBR, and Jeff Wolfe for performing all the biomass analysis. NR 25 TC 75 Z9 78 U1 6 U2 47 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD OCT 1 PY 2009 VL 104 IS 2 BP 290 EP 300 DI 10.1002/bit.22381 PG 11 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 494VI UT WOS:000269846900007 PM 19472300 ER PT J AU Collier, SA Browne, ML Rasmussen, SA Honein, MA AF Collier, Sarah A. Browne, Marilyn L. Rasmussen, Sonja A. Honein, Margaret A. CA Natl Birth Defects Prevention Stud TI Maternal Caffeine Intake during Pregnancy and Orofacial Clefts SO BIRTH DEFECTS RESEARCH PART A-CLINICAL AND MOLECULAR TERATOLOGY LA English DT Article; Proceedings Paper CT 48th Annual Meeting of the Teratology-Society CY JUN 28-JUL 02, 2008 CL Monterey, CA SP Teratol Soc DE caffeine; orofacial clefts; birth defects ID BIRTH-DEFECTS PREVENTION; NEURAL-TUBE DEFECTS; ORAL CLEFTS; CONGENITAL-ANOMALIES; COFFEE CONSUMPTION; IRON-ABSORPTION; UNITED-STATES; RISK; EXPOSURE; SMOKING AB BACKGROUND: Moderate caffeine intake during pregnancy is common, but little is known about its potential association with birth defects. METHODS: The National Birth Defects Prevention Study is a population-based, case-control study of major birth defects, excluding infants with single-gene disorders and chromosomal abnormalities. This analysis includes infants with cleft lip with or without cleft palate (CL/P) and cleft palate only (CPO), excluding infants whose cleft was secondary to holoprosencephaly or amniotic band sequence. Mothers reported dietary caffeine intake from coffee, tea, sodas, and chocolate in the year before pregnancy and reported intake of medications containing caffeine during pregnancy. We assessed the association between dietary caffeine intake, frequency of consuming each type of caffeinated beverage, medications containing caffeine, and CL/P or CPO among infants born from October 1997 through December 2004. RESULTS: This analysis included 1531 infants with CL/P, 813 infants with CPO, and 5711 infants with no major birth defects (controls). Examining dietary sources among control mothers, 11%, reported consuming at least 300 mg of caffeine per day and 17% reported consuming less than 10 mg of caffeine per day; high consumption (>= 3 servings per day) was reported by 8% (coffee), 4%, (tea), and 15%, (sodas); medications containing at least 100 mg caffeine/dose were reported by less than 1%. Although some effect estimates were elevated for moderate caffeine intake from all beverages, estimates were closer to the null for high caffeine levels. Isolated CL/P was associated with use of medications containing at least 100 mg of caffeine per dose. CONCLUSIONS: Our data do not suggest an association between maternal dietary caffeine intake and orofacial clefts, but caffeine-containing medications merit further study. Birth Defects Research (Part A) 85:842849, 2009. (c) 2009 Wiley-Liss, Inc. C1 [Collier, Sarah A.; Rasmussen, Sonja A.; Honein, Margaret A.] Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, Atlanta, GA 30333 USA. [Collier, Sarah A.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Browne, Marilyn L.] New York State Dept Hlth, Bur Environm & Occupat Epidemiol, Troy, NY USA. RP Honein, MA (reprint author), Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, 1600 Clifton Rd,MS E 86, Atlanta, GA 30333 USA. EM mrh7@cdc.gov RI Publications, NBDPS/B-7692-2013 NR 31 TC 12 Z9 12 U1 2 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1542-0752 EI 1542-0760 J9 BIRTH DEFECTS RES A JI Birth Defects Res. Part A-Clin. Mol. Teratol. PD OCT PY 2009 VL 85 IS 10 BP 842 EP 849 DI 10.1002/bdra.20600 PG 8 WC Developmental Biology; Toxicology SC Developmental Biology; Toxicology GA 513UG UT WOS:000271348700005 PM 19591116 ER PT J AU Hasegawa, A Liu, HN Ling, BH Borda, JT Alvarez, X Sugimoto, C Vinet-Oliphant, H Kim, WK Williams, KC Ribeiro, RM Lackner, AA Veazey, RS Kuroda, MJ AF Hasegawa, Atsuhiko Liu, Huining Ling, Binhua Borda, Juan T. Alvarez, Xavier Sugimoto, Chie Vinet-Oliphant, Heather Kim, Woong-Ki Williams, Kenneth C. Ribeiro, Ruy M. Lackner, Andrew A. Veazey, Ronald S. Kuroda, Marcelo J. TI The level of monocyte turnover predicts disease progression in the macaque model of AIDS SO BLOOD LA English DT Article ID SIMIAN IMMUNODEFICIENCY VIRUS; SCAVENGER RECEPTOR CD163; T-LYMPHOCYTES; HIV-1 INFECTION; RHESUS MACAQUES; MONONUCLEAR PHAGOCYTES; SEROLOGIC RESPONSES; KINETICS; IDENTIFICATION; MACROPHAGES AB It is widely accepted that destruction of CD4(+) T cells and viral load are the primary markers for immunodeficiency in HIV-1-infected humans and in simian immunodeficiency virus (SIV)-infected macaques. However, monocyte/macrophages are also important targets of HIV/SIV infection and a critical link between innate and adaptive immunity. We therefore examined whether changes in cells of the monocyte/macrophage lineage could be linked to the pathogenesis of AIDS in the rhesus macaque model. Here, we show that massive turnover of peripheral monocytes associated with death of tissue macrophages correlates with AIDS progression in macaques. More importantly, the level of monocyte turnover was not linked to the CD4(+) T-cell count and was a better predictive marker for AIDS progression than was viral load or lymphocyte activation. Our results show the importance of monocyte/macrophages in the pathogenesis of AIDS and suggest the dynamic changes of the monocyte/macrophages as a new marker for AIDS progression. (Blood. 2009; 114: 2917-2925) C1 [Hasegawa, Atsuhiko; Liu, Huining; Sugimoto, Chie; Kuroda, Marcelo J.] Tulane Univ, Hlth Sci Ctr, Tulane Natl Primate Res Ctr, Div Immunol, Covington, LA 70433 USA. [Ling, Binhua; Borda, Juan T.; Alvarez, Xavier; Vinet-Oliphant, Heather; Lackner, Andrew A.; Veazey, Ronald S.] Tulane Univ, Hlth Sci Ctr, Tulane Natl Primate Res Ctr, Div Comparat Pathol, Covington, LA 70433 USA. [Kim, Woong-Ki; Williams, Kenneth C.] Harvard Univ, Beth Israel Deaconess Med Ctr, Sch Med, Div Viral Pathogenesis, Boston, MA 02215 USA. [Kim, Woong-Ki; Williams, Kenneth C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kuroda, MJ (reprint author), Tulane Univ, Hlth Sci Ctr, Tulane Natl Primate Res Ctr, Div Immunol, 18703 3 Rivers Rd, Covington, LA 70433 USA. EM mkuroda@tulane.edu OI Ribeiro, Ruy/0000-0002-3988-8241 FU NIH [NS040237, NS037654, AI58882]; Tulane National Primate Center [RR000164]; Health Sciences Research Grants; Ministry of Health, Labor, and Welfare in Japan FX This work was supported by grants from NIH to K.C.W. (NS040237, NS037654), M.J.K. (AI58882), and the Tulane National Primate Center (RR000164) and by AIDS research grants from the Health Sciences Research Grants, the Ministry of Health, Labor, and Welfare in Japan (M.J.K.). NR 35 TC 72 Z9 73 U1 2 U2 4 PU AMER SOC HEMATOLOGY PI WASHINGTON PA 1900 M STREET. NW SUITE 200, WASHINGTON, DC 20036 USA SN 0006-4971 J9 BLOOD JI Blood PD OCT 1 PY 2009 VL 114 IS 14 BP 2917 EP 2925 DI 10.1182/blood-2009-02-204263 PG 9 WC Hematology SC Hematology GA 501MX UT WOS:000270387100015 PM 19383966 ER PT J AU Cortis, A Oldenburg, CM AF Cortis, Andrea Oldenburg, Curtis M. TI Short-Range Atmospheric Dispersion of Carbon Dioxide SO BOUNDARY-LAYER METEOROLOGY LA English DT Article DE Dense-gas dispersion; Geologic carbon sequestration; Geologic CO2 storage; Modelling; Monitoring AB We present a numerical study aimed at quantifying the effects of concentration-dependent density on the spread of a seeping plume of CO2 into the atmosphere such as could arise from a leaking geologic carbon sequestration site. Results of numerical models can be used to supplement field monitoring estimates of CO2 seepage flux by modelling transport and dispersion between the source emission and concentration-measurement points. We focus on modelling CO2 seepage dispersion over relatively short distances where density effects are likely to be important. We model dense gas dispersion using the steady-state Reynolds-averaged Navier-Stokes equations with density dependence in the gravity term. Results for a two-dimensional system show that a density dependence emerges at higher fluxes than prior estimates. A universal scaling relation is derived that allows estimation of the flux from concentrations measured downwind and vice versa. C1 [Cortis, Andrea; Oldenburg, Curtis M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Cortis, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM acortis@lbl.gov; cmoldenburg@lbl.gov RI Oldenburg, Curtis/L-6219-2013 OI Oldenburg, Curtis/0000-0002-0132-6016 FU Assistant Secretary for Fossil Energy, Office of Sequestration, Hydrogen, and Clean Coal Fuels, through the National Energy Technology Laboratory, U.S. Department of Energy [DE-AC02-05CH11231] FX This work was carried out in the ZERT project funded by the Assistant Secretary for Fossil Energy, Office of Sequestration, Hydrogen, and Clean Coal Fuels, through the National Energy Technology Laboratory, U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 26 TC 8 Z9 10 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0006-8314 EI 1573-1472 J9 BOUND-LAY METEOROL JI Bound.-Layer Meteor. PD OCT PY 2009 VL 133 IS 1 BP 17 EP 34 DI 10.1007/s10546-009-9418-y PG 18 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 515CA UT WOS:000271442900002 ER PT J AU Lee, HY Hawkins, E Zand, MS Mosmann, T Wu, HL Hodgkin, PD Perelson, AS AF Lee, Ha Youn Hawkins, Edwin Zand, Martin S. Mosmann, Tim Wu, Hulin Hodgkin, Philip D. Perelson, Alan S. TI Interpreting CFSE Obtained Division Histories of B Cells in Vitro with Smith-Martin and Cyton Type Models SO BULLETIN OF MATHEMATICAL BIOLOGY LA English DT Article DE CFSE; Thymidine labeling; Smith-Martin cell cycle model; Cyton model; B cell; IL-4 ID LYMPHOCYTE DIVISION; CUTTING EDGE; DEATH RATES; T-CELLS; CYCLE; PROLIFERATION; DIFFERENTIATION; INTERLEUKIN-4; KINETICS; SIGNAL AB The fluorescent dye carboxyfluorescin diacetate succinimidyl ester (CFSE) classifies proliferating cell populations into groups according to the number of divisions each cell has undergone (i.e., its division class). The pulse labeling of cells with radioactive thymidine provides a means to determine the distribution of times of entry into the first cell division. We derive in analytic form the number of cells in each division class as a function of time using the cyton approach that utilizes independent stochastic distributions for the time to divide and the time to die. We confirm that our analytic form for the number of cells in each division class is consistent with the numerical solution of a set of delay differential equations representing the generalized Smith-Martin model with cell death rates depending on the division class. Choosing the distribution of time to the first division to fit thymidine labeling data for B cells stimulated in vitro with lipopolysaccharide (LPS) and either with or without interleukin-4 (IL-4), we fit CFSE data to determine the dependence of B cell kinetic parameters on the presence of IL-4. We find when IL-4 is present, a greater proportion of cells are recruited into division with a longer average time to first division. The most profound effect of the presence of IL-4 was decreased death rates for smaller division classes, which supports a role of IL-4 in the protection of B cells from apoptosis. C1 [Lee, Ha Youn; Wu, Hulin] Univ Rochester, Sch Med & Dent, Dept Biostat & Computat Biol, Rochester, NY 14642 USA. [Hawkins, Edwin; Hodgkin, Philip D.] Walter & Eliza Hall Inst Med Res, Parkville, Vic, Australia. [Zand, Martin S.] Univ Rochester, Dept Microbiol & Immunol, Div Nephrol, Dept Med, Rochester, NY 14642 USA. [Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lee, HY (reprint author), Univ Rochester, Sch Med & Dent, Dept Biostat & Computat Biol, Rochester, NY 14642 USA. EM hayoun@bst.rochester.edu RI Zand, Martin/A-8612-2015; OI Hawkins, Edwin/0000-0002-3686-8261 FU NIAID/NIH [N01-AI-50020]; University of Rochester Developmental Center for AIDS Research (NIH) [P30AI078498]; U.S. Department of Energy [DE-AC52-06NA25396]; NIH [P30AI078498, AI28433, P01-AI071195, RR06555]; Human Frontiers Science Program [RGP0010/2004] FX This research was supported by NIAID/NIH contract N01-AI-50020. This work was supported in part by the University of Rochester Developmental Center for AIDS Research (NIH) P30AI078498. The portion of this work was done under the auspices of the U.S. Department of Energy under contract DE-AC52-06NA25396 and supported by NIH grants P30AI078498, AI28433, P01-AI071195, and RR06555, and the Human Frontiers Science Program grant RGP0010/2004. NR 36 TC 15 Z9 17 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0092-8240 J9 B MATH BIOL JI Bull. Math. Biol. PD OCT PY 2009 VL 71 IS 7 BP 1649 EP 1670 DI 10.1007/s11538-009-9418-6 PG 22 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 498UC UT WOS:000270168600006 PM 19381725 ER PT J AU Julia, J Nyblade, AA Durrheim, R Linzer, L Gok, R Dirks, P Walter, W AF Julia, Jordi Nyblade, Andrew A. Durrheim, Ray Linzer, Lindsay Goek, Rengin Dirks, Paul Walter, William TI Source Mechanisms of Mine-Related Seismicity, Savuka Mine, South Africa SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID MOMENT TENSOR INVERSION; EVENTS; RESOLUTION; SCALE AB We report full moment tensor solutions for 76 mine tremors with moment magnitudes (M-w) between 0.5 and 2.6 recorded by a network of 20 high-frequency geophones in a deep gold mine in South Africa. Source mechanisms convey important information on how in-mine stresses are relaxed, and understanding the nature of such mechanisms is essential for improving our assessment of rock mass response to mining. Our approach has consisted of minimizing the L2 norm of the difference between observed and predicted P, SV, and SH spectral amplitudes, with visually assigned polarities, to constrain all six independent components of the seismic moment tensor. Our results reveal the largest principal stresses in the mine are compressive, oriented near vertically, and relaxed through a mix of volumetric closure and normal faulting, consistent with a gravity-driven closure of the mined-out areas. Previous moment tensor studies in deep mines had suggested that the distribution of seismic sources in terms of the volumetric-shear mix was bimodal. A bimodal distribution is compatible with our moment tensor solutions only for moment magnitudes above 2.2. Events in the 0: 5 < M-w < 2: 2 moment magnitude range display a continuous distribution of their volumetric-shear mix. C1 [Julia, Jordi; Nyblade, Andrew A.] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. [Durrheim, Ray] Univ Witwatersrand, Council Sci & Ind Res, Johannesburg, South Africa. [Durrheim, Ray; Linzer, Lindsay] Univ Witwatersrand, Sch Geosci, Johannesburg, South Africa. [Linzer, Lindsay] Univ Witwatersrand, MeerCAT Geophys, Johannesburg, South Africa. [Goek, Rengin; Walter, William] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Durrheim, Ray; Dirks, Paul] Univ Witwatersrand, Sch Geosci, ZA-2050 Johannesburg, South Africa. RP Julia, J (reprint author), Penn State Univ, Dept Geosci, 407 Deike Bldg, University Pk, PA 16802 USA. EM jjulia@geosc.psu.edu RI Walter, William/C-2351-2013; Gok, Rengin/O-6639-2014 OI Walter, William/0000-0002-0331-0616; FU U.S. Department of Energy [DE-FC52-06NA27320] FX AngloGold Ashanti is thanked for sharing the proprietary data for Savuka mine used in this study. We are also indebted to Integrated Seismic Systems International for their role in providing the in-mine data analyzed in this study. The manuscript has greatly benefited from detailed and insightful reviews from two anonymous referees, as well as from comments by Steve Spottiswoode and Alex Milev at the Council for Scientific and Industrial Research in South Africa. Roger Stewart is thanked for helping produce a printable version of the Savuka mine plans. Support for this work has been provided by the U.S. Department of Energy, Contract Number DE-FC52-06NA27320. NR 20 TC 14 Z9 14 U1 1 U2 4 PU SEISMOLOGICAL SOC AMER PI ALBANY PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA SN 0037-1106 EI 1943-3573 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD OCT 1 PY 2009 VL 99 IS 5 BP 2801 EP 2814 DI 10.1785/0120080334 PG 14 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 507MJ UT WOS:000270857800012 ER PT J AU Garbe, JC Bhattacharya, S Merchant, B Bassett, E Swisshelm, K Feiler, HS Wyrobek, AJ Stampfer, MR AF Garbe, James C. Bhattacharya, Sanchita Merchant, Batul Bassett, Ekaterina Swisshelm, Karen Feiler, Heidi S. Wyrobek, Andrew J. Stampfer, Martha R. TI Molecular Distinctions between Stasis and Telomere Attrition Senescence Barriers Shown by Long-term Culture of Normal Human Mammary Epithelial Cells SO CANCER RESEARCH LA English DT Article ID CELLULAR SENESCENCE; BREAST-CANCER; P53 FUNCTION; GROWTH; EXPRESSION; CONVERSION; OXYTOCIN; IMMORTALIZATION; BENZOPYRENE; TRANSFORMATION AB Normal human epithelial cells in culture have generally shown a limited proliferative potential of similar to 10 to 40 population doublings before encountering a stress-associated senescence barrier (stasis) associated with elevated levels of cyclin-dependent kinase inhibitors p16 and/or p21. We now show that simple changes in medium composition can expand the proliferative potential of human mammary epithelial cells (HMEC) initiated as primary cultures to 50 to 60 population doublings followed by p16-positive, senescence-associated P-galactosidase-positive stasis. We compared the properties of growing and senescent pre-stasis HMEC with growing and senescent post-selection HMEC, that is, cells grown in a serum-free medium that overcame stasis via silencing of p16 expression and that display senescence associated with telomere dysfunction. Cultured pre-stasis populations contained cells expressing markers associated with luminal and myoepithelial HMEC lineages in vivo in contrast to the basal-like phenotype of the post-selection HMEC. Gene transcript and protein expression, DNA damage-associated markers, mean telomere restriction fragment length, and genomic stability differed significantly between HMEC populations at the stasis versus telomere dysfunction senescence barriers. Senescent isogenic fibroblasts showed greater similarity to HMEC at stasis than at telomere dysfunction, although their gene transcript profile was distinct from HMEC at both senescence barriers. These studies support our model of the senescence barriers encountered by cultured HMEC in which the first barrier, stasis, is retinoblastoma-mediated and independent of telomere length, whereas a second barrier (agonescence or crisis) results from telomere attrition leading to telomere dysfunction. Additionally, the ability to maintain long-term growth of genomically stable multilineage pre-stasis HMEC populations can greatly enhance experimentation with normal HMEC. [Cancer Res 2009;69(19):7557-68] C1 [Garbe, James C.; Bhattacharya, Sanchita; Merchant, Batul; Bassett, Ekaterina; Feiler, Heidi S.; Wyrobek, Andrew J.; Stampfer, Martha R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Swisshelm, Karen] Univ Colorado, Hlth Sci Ctr, Dept Pathol, Denver, CO 80262 USA. RP Stampfer, MR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mrstampfer@lbl.gov FU NIH [CA112970, CA24844]; U.S. Department of Energy [DE-AC02-05CH11231]; Ruth L. Kirschstein National Research Service Award Individual Fellowship [CA108480-03] FX NIH grant CA112970 (J.C. Garbe, S. Bhattacharya, B. Merchant, H.S. Feiler, A.J. Wyrobek, and M.R. Stampfer); NIH grant CA24844 (J.C. Garbe and M.R. Stampfer): Director, Office of Science, Office of Biological & Environmental Research, U.S. Department of Energy contract DE-AC02-05CH11231 (J.C. Garbe, S. Bhattacharya, B. Merchant, H.S. Feiler. A.J. Wyrobek, and M.R. Stampfer); and Ruth L. Kirschstein National Research Service Award Individual Fellowship CA108480-03 (E. Bassett). NR 50 TC 68 Z9 69 U1 1 U2 7 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 J9 CANCER RES JI Cancer Res. PD OCT 1 PY 2009 VL 69 IS 19 BP 7557 EP 7568 DI 10.1158/0008-5472.CAN-09-0270 PG 12 WC Oncology SC Oncology GA 502VE UT WOS:000270487600012 PM 19773443 ER PT J AU Dairkee, SH Sayeed, A Luciani, G Champion, S Meng, ZH Jakkula, LR Feiler, HS Gray, JW Moore, DH AF Dairkee, Shanaz H. Sayeed, Aejaz Luciani, Gloria Champion, Stacey Meng, Zhenhang Jakkula, Lakshmi R. Feiler, Heidi S. Gray, Joe W. Moore, Dan H. TI Immutable Functional Attributes of Histologic Grade Revealed by Context-Independent Gene Expression in Primary Breast Cancer Cells SO CANCER RESEARCH LA English DT Article ID PATHOLOGICAL PROGNOSTIC FACTORS; MOLECULAR SIGNATURE; ESTROGEN-RECEPTOR; TUMOR-CELLS; FOLLOW-UP; CARCINOMA; RECURRENCE; SURVIVAL; METASTASIS; MODEL AB Inherent cancer phenotypes that are independent of fluctuating cross-talk with the surrounding tissue matrix are highly desirable candidates for targeting tumor cells. Our novel study design uses epithelial cell lines derived from low versus high histologic grade primary breast cancer to effectively diminish the breadth of transient variability generated within the tumor microenvironment of the host, revearing a "paracrine-independent expression of grade-associated" (PEGA) gene signature. PEGA members extended beyond "proliferation-driven" signatures commonly associated with aggressive, high-grade breast cancer. The calcium-binding protein S100P was prominent among PEGA genes overexpressed in high-grade tumors. A three-member fingerprint of S-100P-correlated genes, consisting of GPRC5A, FXYD3, and PYCARD, conferred poor outcome in multiple breast cancer data sets, irrespective of estrogen receptor status but dependent on tumor size (P < 0.01). S100P silencing markedly diminished coregulated gene transcripts and reversed aggressive tumor behavior. Exposure to pathway-implicated agents, including the calmodulin inhibitor N-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide, phenothiazine, and chlorpromazine, resulted in rapid apoptotic cell death in high-grade tumor cells resistant to the chemotherapeutic drug cisplatin. This is the first comprehensive study describing molecular phenotypes intimately associated with histologic grade whose expression remains relatively fixed despite an unavoidably changing environment to which tumor cells are invariably exposed. [Cancer Res 2009;69(19):7826-34] C1 [Dairkee, Shanaz H.; Sayeed, Aejaz; Luciani, Gloria; Champion, Stacey; Meng, Zhenhang; Moore, Dan H.] Calif Pacific Med Ctr, Res Inst, San Francisco, CA 94107 USA. [Jakkula, Lakshmi R.; Feiler, Heidi S.; Gray, Joe W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Dairkee, SH (reprint author), Calif Pacific Med Ctr, Res Inst, 475 Brannan St, San Francisco, CA 94107 USA. EM dairkes@cpmcri.org; mooredx@cpmcri.org RI Dairkee, Shanaz/D-6743-2012 FU NIH [CA 109325, CA58207]; U.S. Department of Energy [DEAC02-05CH11231] FX Research in the S.H. Dairkee laboratory was supported by NIH CA 109325. work performed in the JAV. Gray laboratory was funded by NIH CA58207, and by the U.S. Department of Energy under Contract No. DEAC02-05CH11231. NR 44 TC 14 Z9 15 U1 0 U2 0 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 J9 CANCER RES JI Cancer Res. PD OCT 1 PY 2009 VL 69 IS 19 BP 7826 EP 7834 DI 10.1158/0008-5472.CAN-09-1564 PG 9 WC Oncology SC Oncology GA 502VE UT WOS:000270487600043 PM 19789341 ER PT J AU Redmill, PS Capps, SL Cummings, PT McCabe, C AF Redmill, Patrick S. Capps, Shannon L. Cummings, Peter T. McCabe, Clare TI A molecular dynamics study of the Gibbs free energy of solvation of fullerene particles in octanol and water SO CARBON LA English DT Article ID CARBON NANOTUBES; C-60 FULLERENE; SOLVENT MIXTURES; PHASE-EQUILIBRIA; ORGANIC-SOLVENTS; SOLUBILITY; ALKANES; C-70; GENOTOXICITY; SIMULATIONS AB The Gibbs free energy of solvation (Delta G(solv)) for C(60), and six other idealized, non-functionalized, fullerene particles of differing size and shape has been determined in octanol and water solvents from molecular dynamics simulations using thermodynamic integration. In particular, we have studied Buckminster fullerene (C(60)) and open and capped carbon nanotubes of different aspect ratios and solvent accessible surface areas. Knowledge of the Delta G(solv) of a molecule in octanol and water can be used to understand the partitioning of the molecule between organic and aqueous phases and is one of several parameters used to model the fate of chemicals in the natural environment. The simulations were performed at ambient conditions, i.e., a temperature of 25 degrees C and a pressure of 1 bar. The fullerene molecules are all found to have a very high Delta G(solv) in water, and a very low Delta G(solv) in octanol, suggesting a strong preference for the organic phase. From a comparison of the results for capped and uncapped carbon nanotubes we found that the uncapped tubes exhibit significantly higher Delta G(solv) than capped tubes. Furthermore, for capped carbon nanotubes, hydrophobic/organophilic shifts are observed with increasing excluded volume and solvent accessible surface area. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Redmill, Patrick S.; Capps, Shannon L.; Cummings, Peter T.; McCabe, Clare] Vanderbilt Univ, Dept Chem & Biomol Engn, Nashville, TN 37235 USA. [Cummings, Peter T.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [McCabe, Clare] Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA. RP McCabe, C (reprint author), Vanderbilt Univ, Dept Chem & Biomol Engn, 221 Kirkland Hall, Nashville, TN 37235 USA. EM c.mccabe@vanderbilt.edu RI McCabe, Clare/I-8017-2012; Cummings, Peter/B-8762-2013; Capps, Shannon/E-5602-2017; OI McCabe, Clare/0000-0002-8552-9135; Cummings, Peter/0000-0002-9766-2216; Capps, Shannon/0000-0002-6872-6604; Capps, Shannon/0000-0003-4274-887X FU National Energy Research Scientific Computing Center; Office of Science of the US Department of Energy [DE-AC02-05CH11231]; National Science Foundation [CHE-06262S9] FX This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. We also gratefully acknowledge support from the National Science Foundation through Grant CHE-06262S9. NR 56 TC 13 Z9 13 U1 2 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PD OCT PY 2009 VL 47 IS 12 BP 2865 EP 2874 DI 10.1016/j.carbon.2009.06.040 PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 489OT UT WOS:000269430600012 ER PT J AU Renzas, JR Zhang, YW Huang, WY Somorjai, GA AF Renzas, James Russell Zhang, Yawen Huang, Wenyu Somorjai, Gabor A. TI Rhodium Nanoparticle Shape Dependence in the Reduction of NO by CO SO CATALYSIS LETTERS LA English DT Article DE Catalysis; Nanoparticles; Nanocubes; NO; CO; Rhodium; Shape dependence ID GENERATION VIBRATIONAL SPECTROSCOPY; BENZENE HYDROGENATION; SUPPORTED RHODIUM; SINGLE-CRYSTAL; NITRIC-OXIDE; CATALYTIC-PROPERTIES; RH(111); OXIDATION; SURFACES; KINETICS AB The shape dependence of the catalytic reduction of nitric oxide by carbon monoxide on rhodium nanopolyhedra and nanocubes was studied from 230 to 270 degrees C. The nanocubes are found to exhibit higher turnover frequency and lower activation energy than the nanopolyhedra. These trends are compared to previous studies on Rh single crystals. C1 [Renzas, James Russell; Huang, Wenyu; Somorjai, Gabor A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Zhang, Yawen] Peking Univ, Beijing 100871, Peoples R China. RP Somorjai, GA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM jrenzas@berkeley.edu; somorjai@berkeley.edu RI Huang, Wenyu/L-3784-2014 OI Huang, Wenyu/0000-0003-2327-7259 FU Director, Office of Science, Office of Basic Energy Sciences; U.S. Department of Energy [DE-AC02-05CH11231]; Peking University Education Foundation of China FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Y.W.Z. gratefully acknowledges the financial aid of Huaxin Distinguished Scholar Award from Peking University Education Foundation of China. NR 46 TC 29 Z9 29 U1 6 U2 48 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X EI 1572-879X J9 CATAL LETT JI Catal. Lett. PD OCT PY 2009 VL 132 IS 3-4 BP 317 EP 322 DI 10.1007/s10562-009-0144-3 PG 6 WC Chemistry, Physical SC Chemistry GA 505CG UT WOS:000270665200003 ER PT J AU Hutchens, SA Benson, RS Evans, BR Rawn, CJ O'Neill, H AF Hutchens, Stacy A. Benson, Roberto S. Evans, Barbara R. Rawn, Claudia J. O'Neill, Hugh TI A resorbable calcium-deficient hydroxyapatite hydrogel composite for osseous regeneration SO CELLULOSE LA English DT Article DE Bacterial cellulose; Hydrogel; Hydroxyapatite composite; Oxidized; Resorbable ID DIALDEHYDE CELLULOSE; BACTERIAL CELLULOSE; OXIDIZED CELLULOSE; IN-VIVO; BIOCOMPATIBILITY; COTTON; GRAFT; CELLS; PULP AB It was previously discovered that the unique structure and chemistry of bacterial cellulose (BC) permits the formation of calcium-deficient hydroxyapatite (CdHAP) nanocrystallites under aqueous conditions at ambient pH and temperature. In this study, BC was chemically modified via a limited periodate oxidation reaction to render the composite degradable and thus more suitable for bone regeneration. While native BC does not degrade in mammalian systems, periodate oxidation yields dialdehyde cellulose which breaks down at physiological pH. The composite was characterized by tensile testing, X-ray diffraction, Fourier transform infrared spectroscopy, and scanning electron microscopy. X-ray diffraction showed that oxidized BC retains its structure and could biomimetically form CdHAP. Degradation behavior was analyzed by incubating the samples in simulated physiological fluid (pH 7.4) at 37 A degrees C under static and dynamic conditions. The oxidized BC and oxidized BC-CdHAP composites both lost significant mass after exposure to the simulated physiological environment. Examination of the incubation solutions by UV-Vis spectrophotometric analysis demonstrated that, while native BC released only small amounts of soluble cellulose fragments, oxidized cellulose releases carbonyl containing degradation products as well as soluble cellulose fragments. By entrapping CdHAP in a degradable hydrogel carrier, this composite should elicit bone regeneration then resorb over time to be replaced by new osseous tissue. C1 [O'Neill, Hugh] Oak Ridge Natl Lab, Div Chem Sci, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA. [Hutchens, Stacy A.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA. [Benson, Roberto S.; Rawn, Claudia J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Hutchens, Stacy A.; Evans, Barbara R.] Oak Ridge Natl Lab, Mol Biosci & Biotechnol Grp, Div Chem Sci, Oak Ridge, TN 37831 USA. [O'Neill, Hugh] Univ Tennessee, Dept Biochem Cellular & Mol Biol, Knoxville, TN 37996 USA. [Rawn, Claudia J.] Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP O'Neill, H (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Ctr Struct Mol Biol, Oak Ridge, TN 37831 USA. EM oneillhm@ornl.gov OI O'Neill, Hugh/0000-0003-2966-5527 FU Southern Regional Education Board; P.E.O. International; The National Science Foundation; Oak Ridge National Laboratory's (ORNL) Technology Transfer and Economic Development Maturation Funding Program; Assistant Secretary for Energy Efficiency and Renewable Energy; Office of FreedomCAR and Vehicle Technologies; US Department of Energy; US Government [DE-AC05-00OR22725] FX S. A. Hutchens would like to acknowledge the Southern Regional Education Board, P.E.O. International, and The National Science Foundation for support. The authors would also like to acknowledge Dr. Elias Greenbaum. This research was supported by funding from Oak Ridge National Laboratory's (ORNL) Technology Transfer and Economic Development Maturation Funding Program. Research at ORNL High Temperature Materials Laboratory (HTML) was sponsored by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of FreedomCAR and Vehicle Technologies, US Department of Energy. ORNL is managed by UT-Battelle, LLC, for the US Department of Energy under contract number DE-AC05-00OR22725. This work was sponsored by a contractor of the US Government under contract DE-AC05-00OR22725. Accordingly, the US Government retains a nonexclusive, royalty-free license to publish or reproduce this document, or to allow others to do so, for US Government purposes. NR 37 TC 17 Z9 17 U1 4 U2 25 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 J9 CELLULOSE JI Cellulose PD OCT PY 2009 VL 16 IS 5 BP 887 EP 898 DI 10.1007/s10570-009-9300-6 PG 12 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA 495RB UT WOS:000269911600014 ER PT J AU Jin, YH Liu, W Sato, I Nakayama, SF Sasaki, K Saito, N Tsuda, S AF Jin, Yi He Liu, Wei Sato, Itaru Nakayama, Shoji F. Sasaki, Kazuaki Saito, Norimitsu Tsuda, Shuji TI PFOS and PFOA in environmental and tap water in China SO CHEMOSPHERE LA English DT Article DE Perfluorooctane sulfonate (PFOS); Perfluorooctanoate (PFOA); Persistent organic pollutants (POPs); Environmental contamination ID PERFLUOROOCTANE SULFONATE CONCENTRATIONS; PERFLUORINATED COMPOUNDS; DRINKING-WATER; SERUM CONCENTRATIONS; MARINE MAMMALS; SURFACE-WATER; BIRDS; JAPAN; RIVER; EMPLOYEES AB There is a great concern about global contamination with persistent fluoroorganic compounds including perfluorooctane sulfonate (PFOS) and perfluorooctanoate (PFOA), however, few data are available on the environmental levels of these chemicals in China. In the present study, therefore, environmental or tap water samples collected from various regions of China were assayed for PFOS and PFOA by solid phase extraction and liquid chromatography-mass spectrometry technique. Median concentrations (maximum concentration) of PFOS and PFOA in environmental water were 0.4 (2.4) and 0.1 (1.3) ng L-1 for the remote area (n = 13), 4.0 (14.1) and 3.9 (30.8) ng L-1 for the urban area (n = 22), respectively. Systematic survey was also conducted in the Hun River (n = 11) and the Yangtze River (n = 34). In the Hun River, the median of PFOS concentration was 4.9 ng L-1, while PFOA was below the limit of quantitation (0.1 ng L-1) at many of the sampling sites. The Yangtze River was moderately contaminated with both chemicals: median concentration was 4.2 ng L-1 for PFOS and 5.4 ng L-1 for PFOA. Remarkably high concentration of PFOA was found at 2 sampling sites of the Yangtze River (110.6 and 297.5 ng L-1), but the concentration had declined to the average level at the next sampling site in both cases. Many cities provided tap water with low levels of PFOS and PFOA, however, tap water in Guangzhou and Shenzhen exceeded 10 ng L-1 for both chemicals. This study revealed obvious presence of perfluorinated compounds spread out the entire territory of China, and the levels in urban area of China were almost comparable to those in the US, Europe and Japan. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Jin, Yi He; Liu, Wei] Dalian Univ Technol, Sch Environm & Biol Sci & Technol, Key Lab Ind Ecol & Environm Engn, Minist Educ, Dalian 116024, Peoples R China. [Sato, Itaru; Tsuda, Shuji] Iwate Univ, Lab Vet Publ Hlth, Dept Vet Med, Fac Agr, Morioka, Iwate 0208550, Japan. [Nakayama, Shoji F.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA. [Sasaki, Kazuaki; Saito, Norimitsu] Res Inst Environm Sci & Publ Hlth Iwate Prefectur, Morioka, Iwate 0200852, Japan. RP Jin, YH (reprint author), Dalian Univ Technol, Sch Environm & Biol Sci & Technol, Key Lab Ind Ecol & Environm Engn, Minist Educ, Linggong Rd 2, Dalian 116024, Peoples R China. EM jinyihe@dlut.edu.cn RI Nakayama, Shoji/B-9027-2008; Liu, Wei/P-5804-2014 OI Liu, Wei/0000-0001-8920-1172 FU National Nature Science Foundation of China [30471435, 20837004] FX This work is funded by the National Nature Science Foundation of China (Nos. 30471435 and 20837004). We are grateful to Dr. Andrew B. Lindstrom, from the National Exposure Research Laboratory, US Environmental Protection Agency, for his valuable precomment. NR 34 TC 86 Z9 110 U1 10 U2 89 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 EI 1879-1298 J9 CHEMOSPHERE JI Chemosphere PD OCT PY 2009 VL 77 IS 5 BP 605 EP 611 DI 10.1016/j.chemosphere.2009.08.058 PG 7 WC Environmental Sciences SC Environmental Sciences & Ecology GA 515DB UT WOS:000271445700001 PM 19775722 ER PT J AU Andersen, K Mori, H Fata, JE Maelandsmo, GM Bissell, M AF Andersen, Kristin Mori, Hidetoshi Fata, Jimmie E. Maelandsmo, Gunhild M. Bissell, Mina TI S100A4 in mammary gland branching morphogenesis SO CLINICAL & EXPERIMENTAL METASTASIS LA English DT Meeting Abstract C1 [Andersen, Kristin; Maelandsmo, Gunhild M.] Norwegian Radium Hosp, Inst Canc Res, Oslo, Norway. [Mori, Hidetoshi; Bissell, Mina] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Fata, Jimmie E.] CUNY Coll Staten Isl, City Coll New York, Staten Isl, NY USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0262-0898 J9 CLIN EXP METASTAS JI Clin. Exp. Metastasis PD OCT PY 2009 VL 26 IS 7 BP 865 EP 865 PG 1 WC Oncology SC Oncology GA 518VE UT WOS:000271722300071 ER PT J AU Barkan, D Kleinman, H Simmons, JL Asmussen, H Kamaraju, AK Hoenorhoff, MJ Liu, ZY Costes, SV Cho, EH Lockett, S Khanna, C Chambers, AF Green, JE AF Barkan, Dalit Kleinman, Hynda Simmons, Justin L. Asmussen, Holly Kamaraju, Anil K. Hoenorhoff, Mark J. Liu, Zi-yao Costes, Sylvain V. Cho, Edward H. Lockett, Stephen Khanna, Chand Chambers, Ann F. Green, Jeffrey E. TI Inhibition of metastatic outgrowth from single dormant tumor cells by targeting the cytoskeleton SO CLINICAL & EXPERIMENTAL METASTASIS LA English DT Meeting Abstract C1 [Barkan, Dalit; Simmons, Justin L.; Asmussen, Holly; Kamaraju, Anil K.; Hoenorhoff, Mark J.; Liu, Zi-yao; Khanna, Chand; Green, Jeffrey E.] NCI, Bethesda, MD 20892 USA. [Kleinman, Hynda] Natl Inst Dent & Craniofacial Res, Bethesda, MD USA. [Costes, Sylvain V.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Cho, Edward H.; Lockett, Stephen] NCI, SAIC Frederick, Frederick, MD 21701 USA. [Chambers, Ann F.] London Reg Canc Program, London, ON, Canada. RI Costes, Sylvain/D-2522-2013; Chambers, Ann/L-6285-2015; Cho, Edward/B-3727-2012 OI Costes, Sylvain/0000-0002-8542-2389; Chambers, Ann/0000-0002-9509-5123; Cho, Edward/0000-0002-0278-334X NR 0 TC 0 Z9 0 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0262-0898 J9 CLIN EXP METASTAS JI Clin. Exp. Metastasis PD OCT PY 2009 VL 26 IS 7 BP 867 EP 867 PG 1 WC Oncology SC Oncology GA 518VE UT WOS:000271722300075 ER PT J AU Blick, T Widodo, E Hugo, H Lenburg, ME Neve, RM Waltham, M Thompson, EW AF Blick, T. Widodo, E. Hugo, H. Lenburg, M. E. Neve, R. M. Waltham, M. Thompson, E. W. TI Large scale analyses of human breast cancer cell lines provides leads for analysis of EMT in clinical breast cancer SO CLINICAL & EXPERIMENTAL METASTASIS LA English DT Meeting Abstract ID STEM-CELLS C1 [Widodo, E.; Hugo, H.; Waltham, M.; Thompson, E. W.] Univ Melbourne, Dept Surg, St Vincents Hosp, Fitzroy, Vic 3065, Australia. [Widodo, E.] Brawijaya Univ, Fac Med, E Java, Indonesia. [Lenburg, M. E.] Boston Univ, Sch Med, Dept Genet & Genom, Boston, MA 02118 USA. [Neve, R. M.] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. RI Thompson, Erik/A-1425-2009 OI Thompson, Erik/0000-0002-9723-4924 NR 7 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0262-0898 J9 CLIN EXP METASTAS JI Clin. Exp. Metastasis PD OCT PY 2009 VL 26 IS 7 BP 934 EP 934 PG 1 WC Oncology SC Oncology GA 518VE UT WOS:000271722300258 ER PT J AU Singh, S Musculus, MPB Reitz, RD AF Singh, Satbir Musculus, Mark P. B. Reitz, Rolf D. TI Mixing and flame structures inferred from OH-PLIF for conventional and low-temperature diesel engine combustion SO COMBUSTION AND FLAME LA English DT Article DE Diesel engine; Low-temperature combustion (LTC); OH-PLIF; Fluorescence quenching; Optical engine AB The structure of first-and second-stage combustion is investigated in a heavy-duty, single-cylinder optical engine using chemiluminescence imaging, Mie-scatter imaging of liquid-fuel, and OH planar laser-induced fluorescence (OH-PLIF) along with calculations of fluorescence quenching. Three different diesel combustion modes are studied: conventional non-diluted high-temperature combustion (HTC) with either (1) short or (2) long ignition delay, and (3) highly diluted low-temperature combustion (LTC) with early fuel injection. For the short ignition delay HTC condition, the OH fluorescence images show that second-stage combustion occurs mainly on the fuel jet periphery in a thickness of about 1 mm. For the long ignition delay HTC condition, the second-stage combustion zone on the jet periphery is thicker (5-6 mm). For the early-injection LTC condition, the second-stage combustion is even thicker (20-25 mm) and occurs only in the down-stream regions of the jet. The relationship between OH concentration and OH-PLIF intensity over a range of equivalence ratios is estimated from quenching calculations using collider species concentrations predicted by chemical kinetics simulations of combustion. The calculations show that both OH concentration and OH-PLIF intensity peak near stoichiometric mixtures and fall by an order of magnitude or more for equivalence ratios less than 0.2-0.4 and greater than 1.4-1.6. Using the OH fluorescence quenching predictions together with OH-PLIF images, quantitative boundaries for mixing are established for the three engine combustion modes. (C) 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Musculus, Mark P. B.] Sandia Natl Labs, Livermore, CA 94551 USA. [Singh, Satbir] Gen Motors Res & Dev, Warren, MI 48090 USA. [Reitz, Rolf D.] Univ Wisconsin, Dept Mech Engn, Madison, WI 53706 USA. RP Musculus, MPB (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM mpmuscu@sandia.gov FU United States Department of Energy's (DOE) National Nuclear Security Administration [DE-AC04-94AL85000]; DOE's Office of Vehicle Technologies FX The experiments were performed at the Combustion Research Facility, Sandia National Laboratories, Livermore, CA. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's (DOE) National Nuclear Security Administration under contract DE-AC04-94AL85000. Financial support for the experimental work was provided by DOE's Office of Vehicle Technologies, managed by Gurpreet Singh. The authors express their gratitude to David Cicone of Sandia National Laboratories for his assistance with data acquisition and with maintaining the facilities used in these experiments. We are also grateful to Jonathan Frank of Sandia National Laboratories for guidance on OH fluorescence modeling. NR 29 TC 26 Z9 28 U1 0 U2 17 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD OCT PY 2009 VL 156 IS 10 BP 1898 EP 1908 DI 10.1016/j.combustflame.2009.07.019 PG 11 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 556IF UT WOS:000274583500005 ER PT J AU Lacaze, G Richardson, E Poinsot, T AF Lacaze, G. Richardson, E. Poinsot, T. TI Large eddy simulation of spark ignition in a turbulent methane jet SO COMBUSTION AND FLAME LA English DT Article DE Ignition; Numerical combustion ID SPHERICAL FLAME INITIATION; LASER-INDUCED SPARK; DIFFUSION FLAMES; AIR MIXTURES; NUMERICAL-SIMULATION; BURNING VELOCITY; COMBUSTION; ENERGY; LES; STABILIZATION AB Large eddy simulation (LES) is used to compute the spark ignition in a turbulent methane jet flowing into air. Full ignition sequences are calculated for a series of ignition locations using a one-step chemical scheme for methane combustion coupled with the thickened flame model. The spark ignition is modeled in the LES as an energy deposition term added to the energy equation. Flame kernel formation, the progress and topology of the flame propagating upstream, and stabilization as a tubular edge flame are analyzed in detail and compared to experimental data for a range of ignition parameters. In addition to ignition simulations, statistical analysis of nonreacting LES solutions is carried out to discuss the ignition probability map established experimentally. (C) 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Lacaze, G.] CERFACS, F-31057 Toulouse, France. [Richardson, E.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Poinsot, T.] CNRS, Inst Mecan Fluides Toulouse, F-31400 Toulouse, France. RP Lacaze, G (reprint author), CERFACS, 42 Ave G Coriolis, F-31057 Toulouse, France. EM guilhem.lacaze@cerfacs.fr FU French Space Agency CNES; Snecma; European Community [MEST-CT-2005-020426] FX This work was sponsored by the French Space Agency CNES and by Snecma (Safran group). This research project has also been supported by a Marie Curie Early Stage Research Training Fellowship of the European Community's Sixth Framework Programme under Contract MEST-CT-2005-020426. The authors also gratefully acknowledge the computing center CINES where most of the calculations were performed, as well as Dr. Mastorakos and the research team of the Engineering Department of Cambridge University for fruitful discussions. NR 89 TC 46 Z9 47 U1 1 U2 12 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD OCT PY 2009 VL 156 IS 10 BP 1993 EP 2009 DI 10.1016/j.combustflame.2009.05.006 PG 17 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 556IF UT WOS:000274583500014 ER PT J AU Ahn, HT Shashkov, M Christon, MA AF Ahn, Hyung Taek Shashkov, Mikhail Christon, Mark A. TI The moment-of-fluid method in action SO COMMUNICATIONS IN NUMERICAL METHODS IN ENGINEERING LA English DT Article DE moment of fluid (MOF); volume of fluid (VOF); volume tracking; interface reconstruction; multiphase flow; stabilized finite element AB The moment-of-fluid (MOF) method is a new volume-tracking method that accurately treats evolving material interfaces. The MOF method uses moment data, namely the material volume fraction, as well as the centroid, for a more accurate representation of the material configuration, interfaces and concomitant volume advection. In contrast, the volume-of-fluid method uses only volume fraction data for interface reconstruction and advection. Based on the moment data for each material, the material inter-faces are reconstructed with second-order spatial accuracy in a strictly conservative manner. The MOF method is Coupled with a stabilized finite element incompressible Navier-Stokes solver for two materials. The effectiveness of the MOF method is demonstrated with a free-surface dam-break and a two-material Rayleigh-Taylor problem. Copyright (C) 2008 John Wiley & Sons, Ltd. C1 [Ahn, Hyung Taek] Univ Ulsan, Sch Naval Architecture & Ocean Engn, Ulsan 680749, South Korea. [Shashkov, Mikhail] Los Alamos Natl Lab, Div Theoret, Grp T7, Los Alamos, NM 87545 USA. [Christon, Mark A.] Dassault Syst Simulia Corp, CTO Off, Providence, RI 02909 USA. RP Ahn, HT (reprint author), Univ Ulsan, Sch Naval Architecture & Ocean Engn, Ulsan 680749, South Korea. EM htahn@ulsan.ac.kr FU U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; DOE Office of Science Advanced Scientific Computing Research (ASCR); Los Alamos National Laboratory; Publishing Arts Research Council [98-1846389]; The National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06NA25396] FX H. T. Ahn thanks Prof. Graham F. Carey, Prof. Alvaro L. G. A. Coutinho and Dr John Peterson for their helpful comments and discussions. This work was carried out under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396 and the DOE Office of Science Advanced Scientific Computing Research (ASCR) Program in Applied Mathematics Research. This work was supported by the Advanced Simulation and Computing (ASC) program at the Los Alamos National Laboratory. NR 11 TC 5 Z9 6 U1 0 U2 6 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1069-8299 J9 COMMUN NUMER METH EN JI Commun. Numer. Methods Eng. PD OCT PY 2009 VL 25 IS 10 BP 1009 EP 1018 DI 10.1002/cnm.1135 PG 10 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 510HW UT WOS:000271079800002 ER PT J AU Dougherty, MT Folk, MJ Zadok, E Bernstein, HJ Bernstein, FC Eliceiri, KW Benger, W Best, C AF Dougherty, Matthew T. Folk, Michael J. Zadok, Erez Bernstein, Herbert J. Bernstein, Frances C. Eliceiri, Kevin W. Benger, Werner Best, Christoph TI Unifying Biological Image Formats with HDF5 SO COMMUNICATIONS OF THE ACM LA English DT Article C1 [Zadok, Erez] SUNY Stony Brook, Stony Brook, NY USA. [Bernstein, Herbert J.] Dowling Coll, Oakdale, NY USA. [Bernstein, Frances C.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Eliceiri, Kevin W.] Univ Wisconsin, Lab Opt & Computat Instrumentat, Madison, WI 53706 USA. [Benger, Werner] Louisiana State Univ, Baton Rouge, LA 70803 USA. EM matthewd@bcm.edu; mfolk@hdfgroup.org; ezk@cs.sunysb.edu; yaya@dowling.edu; fcb@bernstein-plus-sons.com; eliceiri@wisc.edu; werner@cct.lsu.edu; best@ebi.ac.uk OI Eliceiri, Kevin/0000-0001-8678-670X; Bernstein, Frances/0000-0003-0536-0120 FU Biotechnology and Biological Sciences Research Council [BB/G022577/1]; NCRR NIH HHS [P41 RR002250, P41 RR002250-24, R13 RR023192, R13 RR023192-01A1]; NIBIB NIH HHS [R03 EB008516]; NIGMS NIH HHS [R15 GM078077-01S1, R01 GM079429, R15 GM078077, R15 GM078077-01] NR 15 TC 12 Z9 12 U1 2 U2 4 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0001-0782 J9 COMMUN ACM JI Commun. ACM PD OCT PY 2009 VL 52 IS 10 BP 42 EP 47 DI 10.1145/1562764.1562781 PG 6 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 512AT UT WOS:000271215000018 PM 21218176 ER PT J AU Zhong, WH Sui, G Jana, S Miller, J AF Zhong, W. H. Sui, G. Jana, S. Miller, J. TI Cosmic radiation shielding tests for UHMWPE fiber/nano-epoxy composites SO COMPOSITES SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT International Conference on Smart Materials and Nanotechnology in Engineering CY JUL 01-04, 2007 CL Harbin Inst Technol, Harbin, PEOPLES R CHINA SP SPIE, Harbin Inst Technol HO Harbin Inst Technol DE Polymer-matrix composites (PMCs); Nanocomposite; Cosmic radiation shielding ID GRAPHITIC-CARBON-NANOFIBERS; REINFORCED-EPOXY; ADHESION; MATRIX; PARTICLES; NANOTUBES; PROPERTY; ETHYLENE; BEHAVIOR; GNFS AB Cosmic radiation shielding properties are important for spacecraft, and hydrogenous materials such as polyethylene have been shown to be effective in shielding against galactic cosmic rays and solar energetic particles. Ultrahigh molecular weight polyethylene (UHMWPE) fibers, which are effective in such shielding, also have advanced mechanical and physical properties, which potentially are very valuable for NASA space missions both as a radiation shield and as vehicle structure. In our previous studies, we fabricated a nano-epoxy matrix with reactive graphitic nanofibers that showed enhanced mechanical (including strength, modulus and toughness) and thermal properties (higher T(g), stable CTE, and higher ageing resistance), as well as wetting and adhesion ability to UHMWPE fibers. In this work, the radiation shielding performance of the UHMWPE fiber reinforced nano-epoxy composite was characterized by radiation tests at the NASA Space Radiation Laboratory at Brookhaven National Laboratory. The results showed that the high radiation shielding performance associated with UHMWPE was not degraded by the addition of graphitic nanofibers in the matrix. Together with the previous studies showing higher mechanical properties, these new studies validate the importance of the UHMWPE fiber/nano-epoxy composite for potential applications in more durable space composites and structures, and offer reduced manufacturing costs and wider design applications through avoidance of specialized and in some cases ineffective UHMWPE fiber surface treatment processes. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Zhong, W. H.; Jana, S.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. [Sui, G.] Beijing Univ Chem Technol, Key Lab Beijing City Preparat & Proc Novel Polyme, Beijing 100029, Peoples R China. [Miller, J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Zhong, WH (reprint author), Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. EM Katie_Zhong@wsu.edu NR 29 TC 20 Z9 21 U1 1 U2 37 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0266-3538 J9 COMPOS SCI TECHNOL JI Compos. Sci. Technol. PD OCT PY 2009 VL 69 IS 13 BP 2093 EP 2097 DI 10.1016/j.compscitech.2008.10.004 PG 5 WC Materials Science, Composites SC Materials Science GA 487SM UT WOS:000269295900010 ER PT J AU Tartakovsky, AM Ferris, KF Meakin, P AF Tartakovsky, Alexandre M. Ferris, Kim F. Meakin, Paul TI Lagrangian particle model for multiphase flows SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article ID SURFACE-TENSION; CONTACT LINES; LIQUID-DROPS; HYDRODYNAMICS; DYNAMICS; SPH AB A Lagrangian particle model for multiphase multicomponent fluid flow, based on smoothed particle hydrodynamics (SPH), was developed and used to simulate the flow of an emulsion consisting of bubbles of a non-wetting liquid surrounded by a wetting liquid. In SPH simulations, fluids are represented by sets of particles that are used as discretization points to solve the Navier-Stokes fluid dynamics equations. In the multiphase multicomponent SPH model, a modified van der Waals equation of state is used to close the system of flow equations. The combination of the momentum conservation equation with the van der Waals equation of state results in a particle equation of motion in which the total force acting on each particle consists of many-body repulsive and viscous forces, two-body (particle-particle) attractive forces, and body forces such as gravitational forces. Similar to molecular dynamics, for a given fluid component the combination of repulsive and attractive forces causes phase separation. The surface tension at liquid-liquid interfaces is imposed through component dependent attractive forces. The wetting behavior of the fluids is controlled by phase dependent attractive interactions between the fluid particles and stationary particles that represent the solid phase. The dynamics of fluids away from the interface is governed by purely hydrodynamic forces. Comparison with analytical solutions for static conditions and relatively simple flows demonstrates the accuracy of the SPH model. (C) 2009 Elsevier B.V. All rights reserved. C1 [Tartakovsky, Alexandre M.; Ferris, Kim F.] Pacific NW Natl Lab, Computat & Informat Sci Directorate, Computat Math Tech Grp, Richland, WA 99352 USA. [Meakin, Paul] Idaho Natl Lab, Ctr Adv Modeling & Simulat, Idaho Falls, ID 83415 USA. [Meakin, Paul] Inst Energy Technol, Multiphase Flow Assurance Innovat Ctr, N-2007 Kjeller, Norway. [Meakin, Paul] Univ Oslo, N-0316 Oslo, Norway. RP Tartakovsky, AM (reprint author), Pacific NW Natl Lab, Computat & Informat Sci Directorate, Computat Math Tech Grp, Richland, WA 99352 USA. EM Alexandre.Tartakovsky@pnl.gov; Kim.Ferris@pnl.gov; Paul.Meakin@inl.gov FU Laboratory Directed Research and Development; U.S. Department of Energy Office of Science FX This work was supported by Laboratory Directed Research and Development as part of the Carbon Sequestration Initiative at PNNL and Advanced Scientific Computing Research program of the U.S. Department of Energy Office of Science. The Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by Battelle under contract DE-AC05-76111-01830. The Idaho National Laboratory is operated by Battelle under contract DE-AC07-051D14517. NR 26 TC 24 Z9 25 U1 2 U2 30 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD OCT PY 2009 VL 180 IS 10 BP 1874 EP 1881 DI 10.1016/j.cpc.2009.06.002 PG 8 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 504PD UT WOS:000270628200018 ER PT J AU Pointon, TD AF Pointon, T. D. TI Second-order, exact charge conservation for electromagnetic particle-in-cell simulation in complex geometry (vol 179, pg 535, 2008) SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Correction C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Pointon, TD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM tdpoint@sandia.gov NR 3 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD OCT PY 2009 VL 180 IS 10 BP 2024 EP 2024 DI 10.1016/j.cpc.2009.05.021 PG 1 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 504PD UT WOS:000270628200033 ER PT J AU Kraemer, S Carayon, P Clem, J AF Kraemer, Sara Carayon, Pascale Clem, John TI Human and organizational factors in computer and information security: Pathways to vulnerabilities SO COMPUTERS & SECURITY LA English DT Article DE Computer security; Red teams; Human and organizational factors; Design; Pathways; Vulnerabilities; Causal Network Analysis ID USERS; PERSPECTIVE AB The purpose of this study was to identify and describe how human and organizational factors may be related to technical computer and information security (CIS) vulnerabilities. A qualitative study of CIS experts was performed, which consisted of 2, 5-member focus groups sessions. The participants in the focus groups each produced a causal network analysis of human and organizational factors pathways to types of CIS vulnerabilities. Findings suggested that human and organizational factors play a significant role in the development of CIS vulnerabilities and emphasized the relationship complexities among human and organizational factors. The factors were categorized into 9 areas: external influences, human error, management, organization, performance and resource management, policy issues, technology, and training. Security practitioners and management should be aware of the multifarious roles of human and organizational factors and CIS vulnerabilities and that CIS vulnerabilities are not the sole result of a technological problem or programming mistake. The design and management of CIS systems need an integrative, multi-layered approach to improve CIS performance (suggestions for analysis provided). (C) 2009 Elsevier Ltd. All rights reserved. C1 [Kraemer, Sara] Univ Wisconsin, Wisconsin Ctr Educ Res, Madison, WI 53706 USA. [Carayon, Pascale] Univ Wisconsin, Dept Ind & Syst Engn, Ctr Qual & Prod Improvement, Madison, WI 53706 USA. [Clem, John] Sandia Natl Labs, Informat Design Assurance Red Team, Albuquerque, NM 87185 USA. RP Kraemer, S (reprint author), Univ Wisconsin, Wisconsin Ctr Educ Res, 1025 W Johnson St, Madison, WI 53706 USA. EM sbkraeme@wisc.edu; carayon@engr.wisc.edu; jfclem@sandia.gov RI Carayon, Pascale/M-5375-2013 OI Carayon, Pascale/0000-0003-4632-6930 FU U.S. Army Research Laboratory; U.S. Army Research Office [DAAD19-01-1-0502]; University of Wisconsin-Madison FX This material is based upon work supported by the U.S. Army Research Laboratory and the U.S. Army Research Office under grant number DAAD19-01-1-0502 and by the College of Engineering at the University of Wisconsin-Madison. NR 47 TC 24 Z9 24 U1 5 U2 16 PU ELSEVIER ADVANCED TECHNOLOGY PI OXFORD PA OXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0167-4048 J9 COMPUT SECUR JI Comput. Secur. PD OCT PY 2009 VL 28 IS 7 BP 509 EP 520 DI 10.1016/j.cose.2009.04.006 PG 12 WC Computer Science, Information Systems SC Computer Science GA 510XL UT WOS:000271127200003 ER PT J AU Babentsov, V Franc, J Hoschl, P Fiederle, M Benz, KW Sochinskii, NV Dieguez, E James, RB AF Babentsov, V. Franc, J. Hoeschl, P. Fiederle, M. Benz, K. W. Sochinskii, N. V. Dieguez, E. James, R. B. TI Characterization of compensation and trapping in CdTe and CdZnTe: Recent advances SO CRYSTAL RESEARCH AND TECHNOLOGY LA English DT Article DE CdTe; defects; polarization ID HIGH-RESISTIVITY CDTE; THERMOELECTRIC EFFECT SPECTROSCOPY; ELECTRON-PARAMAGNETIC-RESONANCE; CADMIUM ZINC TELLURIDE; DEFECT STRUCTURE; DOPED CDTE; CRYSTALS; PHOTOSENSITIVITY; CD1-XZNXTE; DETECTORS AB Results on the properties of the known impurities, Ge, Sn, V and Bi, and the lattice imperfections, V(Cd) and Te(Cd) are summarized. We discuss their role in compensation, and in buffering the variations in shallow electronic levels in the grown ingot. We demonstrate that (similar to 2-3 kT) variations of the Fermi energy increases carrier trapping to the deep levels. Trapping is manifest in a photoconductivity signal that can be studied by photoconductivity methods, thus allowing to monitor the spectroscopic-grade material before fabricating the detectors. Our approach could be important in preventing the after-glow effect and polarization. C1 [Franc, J.; Hoeschl, P.] Charles Univ Prague, Inst Phys, Fac Math & Phys, Prague 12116, Czech Republic. [Babentsov, V.] Inst Semicond Phys, UA-03028 Kiev, Ukraine. [Fiederle, M.; Benz, K. W.] Mat Forschungszentrum, D-79104 Freiburg, Germany. [Sochinskii, N. V.] Consorzio CREO Ctr Ric Elettroott, I-67100 Laquila, Italy. [Dieguez, E.] Univ Autonoma Madrid, Dept Mat Phys, E-28049 Madrid, Spain. [James, R. B.] Brookhaven Natl Lab, Nonproliferat & Natl Secur Dept, Upton, NY 11973 USA. RP Franc, J (reprint author), Charles Univ Prague, Inst Phys, Fac Math & Phys, Ke Karlovu 5, Prague 12116, Czech Republic. EM franc@karlov.mff.cuni.cz RI Fiederle, Michael/B-9750-2013; Franc, Jan/C-3802-2017 OI Franc, Jan/0000-0002-9493-3973 FU Ministry of Education of the Czech Republic [MSM 0021620834]; Alexander von Humboldt foundation; U.S. Department of Energy, Office of Nonproliferation Research and Engineering [NA-22] FX This work is a part of the research plan MSM 0021620834, which is financed by the Ministry of Education of the Czech Republic. It was also supported by Alexander von Humboldt foundation. One author (R.B. James) wishes to gratefully acknowledge support from the U.S. Department of Energy, Office of Nonproliferation Research and Engineering, NA-22. NR 30 TC 17 Z9 17 U1 1 U2 14 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0232-1300 J9 CRYST RES TECHNOL JI Cryst. Res. Technol. PD OCT PY 2009 VL 44 IS 10 BP 1054 EP 1058 DI 10.1002/crat.200900348 PG 5 WC Crystallography SC Crystallography GA 516AS UT WOS:000271514600006 ER PT J AU Baran, R Reindl, W Northen, TR AF Baran, Richard Reindl, Wolfgang Northen, Trent R. TI Mass spectrometry based metabolomics and enzymatic assays for functional genomics SO CURRENT OPINION IN MICROBIOLOGY LA English DT Review ID IN-VITRO CHARACTERIZATION; STREPTOMYCES-COELICOLOR; ESCHERICHIA-COLI; FLUX ANALYSIS; NETWORKS; PATHWAY; ELUCIDATION; DATABASE; ENZYMES; DISCOVERY AB The exponential growth in the number of sequenced microorganisms versus the relative slow influx of direct biochemical characterization of microbes is limiting the utility of sequence information. High-throughput experimental approaches to functionally characterize microbial metabolism are urgently needed to leverage genome sequences for example: to understand host-microbe interactions, microbial communities, to utilize microbes for bioenergy, bioremediation, etc. Mass spectrometry based small molecule metabolite analysis is rapidly becoming a method of choice to meet these needs and enables multiple paths to discovering and validating the functional assignments. Approaches range from the targeted in vitro screening of small sets of metabolic transformations to define enzymatic activities to global metabolic profiling (metabolomics) to define metabolic pathways and gain insights into microbial responses to environmental and genetic perturbations. The combination of metabolite profiling with genome-scale models of metabolism and other -omic approaches provides opportunities to expand our understanding of microbial metabolic networks, stress responses, and to identify genes associated with specific enzymatic and regulatory activities. C1 [Baran, Richard; Reindl, Wolfgang; Northen, Trent R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept GTL Bioenergy & Struct Biol, Div Life Sci, Berkeley, CA 94720 USA. RP Northen, TR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Dept GTL Bioenergy & Struct Biol, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM TRNorthen@LBL.gov RI Northen, Trent/K-3139-2012; OI Northen, Trent/0000-0001-8404-3259 FU Department of Energy [DE-AC02-05CH11231] FX We gratefully acknowledge support from the Department of Energy [DE-AC02-05CH11231]. We thank Gary Siuzdak and Steven Yannone for their insightful comments, and Manfred Auer and Bernhard Knierim for providing SEM images. NR 68 TC 36 Z9 39 U1 5 U2 33 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1369-5274 J9 CURR OPIN MICROBIOL JI Curr. Opin. Microbiol. PD OCT PY 2009 VL 12 IS 5 BP 547 EP 552 DI 10.1016/j.mib.2009.07.004 PG 6 WC Microbiology SC Microbiology GA 516SP UT WOS:000271563200012 PM 19695948 ER PT J AU Adams, PD Afonine, PV Grosse-Kunstleve, RW Read, RJ Richardson, JS Richardson, DC Terwilliger, TC AF Adams, Paul D. Afonine, Pavel V. Grosse-Kunstleve, Ralf W. Read, Randy J. Richardson, Jane S. Richardson, David C. Terwilliger, Thomas C. TI Recent developments in phasing and structure refinement for macromolecular crystallography SO CURRENT OPINION IN STRUCTURAL BIOLOGY LA English DT Review ID ANISOTROPIC THERMAL PARAMETERS; NORMAL-MODE REFINEMENT; MAXIMUM-LIKELIHOOD; MOLECULAR-REPLACEMENT; DENSITY-MODIFICATION; X-RAY; STRUCTURE VALIDATION; CRYSTAL-STRUCTURES; RESOLUTION; SOFTWARE AB Central to crystallographic structure solution is obtaining accurate phases in order to build a molecular model, ultimately followed by refinement of that model to optimize its fit to the experimental diffraction data and prior chemical knowledge. Recent advances in phasing and model refinement and validation algorithms make it possible to arrive at better electron density maps and more accurate models. C1 [Adams, Paul D.; Afonine, Pavel V.; Grosse-Kunstleve, Ralf W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Read, Randy J.] Cambridge Inst Med Res, Cambridge CB2 0XY, England. [Richardson, Jane S.; Richardson, David C.] Duke Univ, Med Ctr, Dept Biochem, Durham, NC 27710 USA. [Terwilliger, Thomas C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Adams, PD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, BLDG 64R0121,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM PDAdams@lbi.gov RI Read, Randy/L-1418-2013; Terwilliger, Thomas/K-4109-2012; Adams, Paul/A-1977-2013 OI Read, Randy/0000-0001-8273-0047; Terwilliger, Thomas/0000-0001-6384-0320; Adams, Paul/0000-0001-9333-8219 FU NIH [1P01 GM063210]; US Department of Energy [DE-AC02-05CH11231]; Wellcome Trust (UK) FX The authors would like to thank the NIH for their support (1P01 GM063210). This work was partially supported by the US Department of Energy under Contract No. DE-AC02-05CH11231. RJR is supported by a Principal Research Fellowship from the Wellcome Trust (UK). NR 67 TC 14 Z9 14 U1 0 U2 4 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0959-440X J9 CURR OPIN STRUC BIOL JI Curr. Opin. Struct. Biol. PD OCT PY 2009 VL 19 IS 5 BP 566 EP 572 DI 10.1016/j.sbi.2009.07.014 PG 7 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 516PP UT WOS:000271555000011 PM 19700309 ER PT J AU Joachimiak, A AF Joachimiak, Andrzej TI High-throughput crystallography for structural genomics SO CURRENT OPINION IN STRUCTURAL BIOLOGY LA English DT Review ID PROTEIN-STRUCTURE DETERMINATION; IN-SITU PROTEOLYSIS; LARGE-SCALE; WEB SERVER; X-RAY; CRYSTALLIZATION; DIFFRACTION; OPTIMIZATION; PROTEOMICS; REDUCTASE AB Protein X-ray crystallography recently celebrated its 50th anniversary. The structures of myoglobin and hemoglobin determined by Kendrew and Perutz provided the first glimpses into the complex protein architecture and chemistry. Since then, the field of structural molecular biology has experienced extraordinary progress and now more than 55000 protein structures have been deposited into the Protein Data Bank. In the past decade many advances in macromolecular crystallography have been driven by world-wide structural genomics efforts. This was made possible because of third-generation synchrotron sources, structure phasing approaches using anomalous signal, and cryo-crystallography. Complementary progress in molecular biology, proteomics, hardware and software for crystallographic data collection, structure determination and refinement, computer science, databases, robotics and automation improved and accelerated many processes. These advancements provide the robust foundation for structural molecular biology and assure strong contribution to science in the future. In this report we focus mainly on reviewing structural genomics high-throughput X-ray crystallography technologies and their impact. C1 Argonne Natl Lab, Midw Ctr Struct Genom, Struct Biol Ctr, Biosci Div, Argonne, IL 60439 USA. RP Joachimiak, A (reprint author), Argonne Natl Lab, Midw Ctr Struct Genom, Struct Biol Ctr, Biosci Div, 9700 S Class Ave, Argonne, IL 60439 USA. EM andrzejj@anl.gov FU National Institutes of Health [GM074942]; U.S. Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357] FX We thank all the members of the Structural Biology Center and the Midwest Center for Structural Genomics at Argonne National Laboratory and Center for Structural Gcnomics of Infectious Diseases for their help in conducting experiments. We wish to thank the members of the PSI, both past and present, for all of their efforts on behalf of the PSI. Finally, we recognize the valuable contributions made by SG researchers throughout the world. We would like to thank Drs TA Binkowski and A Kouranov for providing data for Figure 3, Dr R-g Zhang for help with Figure 4, and Lindsey Butler for help in preparation of the manuscript for publication. This work was supported by National Institutes of Health Grant GM074942 and by the U.S. Department of Energy, Office of Biological and Environmental Research, under contract DE-AC02-06CH11357. NR 67 TC 69 Z9 74 U1 2 U2 28 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0959-440X J9 CURR OPIN STRUC BIOL JI Curr. Opin. Struct. Biol. PD OCT PY 2009 VL 19 IS 5 BP 573 EP 584 DI 10.1016/j.sbi.2009.08.002 PG 12 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 516PP UT WOS:000271555000012 PM 19765976 ER PT J AU Ivanov, I Zhou, L Huh, J Santori, F Manel, N Chong, M Umesaki, Y Brodie, E Honda, K Littman, DR AF Ivanov, I. Zhou, L. Huh, J. Santori, F. Manel, N. Chong, M. Umesaki, Y. Brodie, E. Honda, K. Littman, D. R. TI Role of microbiota and transcription factors in control of Th17 cell differentiation SO CYTOKINE LA English DT Meeting Abstract CT Tri-Society Annual Conference of the International-Cytokine-Society/International-Society-of-Interferon-and-C ytokine-Research/Society-of-Leukocyte-Biology CY OCT 17-21, 2009 CL Lisbon, PORTUGAL SP Int Cytokine Soc, Int Soc Interferon & Cytokin Res, Soc Leukocyte Biol C1 [Ivanov, I.; Zhou, L.; Huh, J.; Santori, F.; Manel, N.; Chong, M.; Littman, D. R.] NYU, Howard Hughes Med Inst, Sch Med, New York, NY USA. [Umesaki, Y.] Yakult Cent Inst Microbiol Res, Tokyo, Japan. [Brodie, E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Honda, K.] Osaka Univ, Osaka, Japan. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 1043-4666 J9 CYTOKINE JI Cytokine PD OCT-NOV PY 2009 VL 48 IS 1-2 BP 18 EP 18 DI 10.1016/j.cyto.2009.07.071 PG 1 WC Biochemistry & Molecular Biology; Cell Biology; Immunology SC Biochemistry & Molecular Biology; Cell Biology; Immunology GA 507LN UT WOS:000270855100053 ER PT J AU Wang, XM Zharikova, OL Abdelrahman, DR Patrikeeva, S Hankins, GDV Ahmed, MS Nanovskaya, TN Timchalk, C AF Wang, Xiaoming Zharikova, Olga L. Abdelrahman, Doaa R. Patrikeeva, Svetlana Hankins, Gary D. V. Ahmed, Mahmoud S. Nanovskaya, Tatiana N. Timchalk, Charles TI Bupropion metabolism by human and baboon hepatic and placental microsome SO DRUG METABOLISM REVIEWS LA English DT Meeting Abstract CT 16th North American Regional ISSX Meeting CY OCT 18-22, 2009 CL Baltimore, MD C1 [Wang, Xiaoming; Zharikova, Olga L.; Abdelrahman, Doaa R.; Patrikeeva, Svetlana; Hankins, Gary D. V.; Ahmed, Mahmoud S.; Nanovskaya, Tatiana N.] Univ Texas Med Branch Galveston, Dept Obstet & Gynecol, Galveston, TX 77555 USA. [Timchalk, Charles] Battelle Pacific NW Lab, Msin P7 59, Richland, WA 99352 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0360-2532 J9 DRUG METAB REV JI Drug Metab. Rev. PD OCT PY 2009 VL 41 SU 3 MA 283 BP 139 EP 140 PG 2 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA 629AB UT WOS:000280165300270 ER PT J AU Huesemann, MH Hausmann, TS Fortman, TJ Thom, RM Cullinan, V AF Huesemann, Michael H. Hausmann, Tom S. Fortman, Tim J. Thom, Ronald M. Cullinan, Valerie TI In situ phytoremediation of PAH- and PCB-contaminated marine sediments with eelgrass (Zostera marina) SO ECOLOGICAL ENGINEERING LA English DT Article DE Phytoremediation; Abiotic desorption; Bioavailability; PAHs; PCBs; Seagrass; Eelgrass; Zostera marina; Sediment; Bioaccumulation; Biodegradation ID POLYCYCLIC AROMATIC-HYDROCARBONS; ORYZA-SATIVA L; POLYCHLORINATED-BIPHENYLS; PHRAGMITES-AUSTRALIS; AGED SOILS; CRUDE-OIL; BIOREMEDIATION; BIODEGRADATION; ACCUMULATION; VEGETATION AB in view of the fact that there are presently no cost-effective in situ treatment technologies for contaminated sediments, a 60-week-long phytoremediation feasibility Study was conducted in seawater-supplied outdoor ponds to determine whether eelgrass (Zostera marina) is capable of removing polynuclear aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) from submerged marine sediments. It was determined that all PAHs and PCBs, independent of the number of aromatic rings and degree of chlorination, respectively, were removed to a much larger extent in planted sediments compared to unplanted controls. After 60 weeks of treatment, the concentration of total PAHs decreased by 73% in planted sediments but only 25% in unplanted controls. Similarly, total PCBs declined by 60% in the presence of plants while none were removed in the unplanted sediment. Overall, the apparent PAH and PCB biodegradation was greatest in the sediment layer that contained most of the eelgrass roots. Abiotic desorption tests conducted at week 32 confirmed that the phytoremediation process was not controlled by mass-transfer or bioavailability limitations since all PAHs and PCBs desorbed rapidly and to a large extent from the sediment. PAHs were detected in both roots and shoots, with root and shoot bioaccumulation factors for total PAHs amounting to approximately 3 and 1, respectively, after 60 weeks of phytoremediation treatment. Similarly, the root bioaccumulation factor for total PCBs was around 4, while no PCBs were detected in the eelgrass leaves at the end of the experiment. The total mass fraction of PAHs and PCBs absorbed and translocated by plant biomass during the 60-week period was insignificant, amounting to less than 0.5% of the total mass of PAHs and PCBs which was initially present in the sediment. Finally, the number of total heterotrophic bacteria and hydrocarbon degraders was slightly but not statistically significantly greater in planted sediments than in unplanted controls. After ruling out contaminant loss to the water column or absorption and transformation within plant cells, it is most likely that the presence of eelgrass stimulated the microbial biodegradation of PAHs and PCBs in the rhizosphere by releasing root exudates, plant enzymes, or even oxygen. Additional research is needed to further elucidate these potential phytoremediation mechanisms. (C) 2009 Elsevier B.V. All rights reserved. C1 [Huesemann, Michael H.; Hausmann, Tom S.; Fortman, Tim J.; Thom, Ronald M.; Cullinan, Valerie] Marine Sci Lab, Pacific NW Natl Lab, Sequim, WA 98382 USA. RP Huesemann, MH (reprint author), Marine Sci Lab, Pacific NW Natl Lab, Sequim, WA 98382 USA. EM michael.huesemann@pnl.gov FU Office of Naval Research (DoD); Office of Science (DOE) FX Funding for this project was jointly Provided by the Office of Naval Research (DoD) and the Office of Science (DOE). The technical guidance of ONR program manager Dr. Linda Chrisey was most appreciated. NR 70 TC 42 Z9 48 U1 9 U2 70 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0925-8574 J9 ECOL ENG JI Ecol. Eng. PD OCT PY 2009 VL 35 IS 10 BP 1395 EP 1404 DI 10.1016/j.ecoleng.2009.05.011 PG 10 WC Ecology; Engineering, Environmental; Environmental Sciences SC Environmental Sciences & Ecology; Engineering GA 504VH UT WOS:000270645400004 ER PT J AU Morris, LK Seliskar, CJ Heineman, WR Del Negro, AS Bryan, SA AF Morris, Laura K. Seliskar, Carl J. Heineman, William R. Del Negro, Andrew S. Bryan, Samuel A. TI Absorbance-Based Spectroelectrochemical Sensor for [Re(dmpe)(3)](+) (dmpe = dimethylphosphinoethane) SO ELECTROANALYSIS LA English DT Article DE Spectroelectrochemical sensing; Sulfonated polystyrene-block-poly(ethylene-ran-butylene)-block-polystyrene films; Attenuated total reflectance spectroscopy (ATR); Thin films; Radiopharmaceuticals ID SULFONATED POLYSTYRENE-BLOCK-POLY(ETHYLENE-RAN-BUTYLENE)-BLOCK-POLYSTYRENE COPOLYMERS; OPTICALLY TRANSPARENT ELECTRODES; SINGLE DEVICE; = 1,2-BIS(DIMETHYLPHOSPHINO)ETHANE; PERFLUOROSULFONATED IONOMER; ELECTROCHEMICAL-BEHAVIOR; RHENIUM COMPLEXES; SELECTIVITY; TECHNETIUM; CHEMISTRY AB A spectroclectrochemical sensor was developed for [Re(dmpe)(3)](+) as a nonradioactive analog for [Tc(dmpe)(3)](+). The sensor consists of an optically transparent electrode (OTE) coated with a thin film of sulfonated polystyrene-blockpoly(ethylene-ran-butylene)-block-polystyrene (SSEBS). Colorless [Re(dmpe)(3)](+) was reversibly oxidized to [Re(dmpe)(3)](2+) (lambda(max) = 530 nm). [Re(dmpe)(3)](+) preconcentrated by ion-exchange into the SSEBS film, resulting in a 20-fold increase in peak current compared to a bare OTE after 1 h of exposure to aqueous [Re(dmpe)(3)](+) solution. Detection of [Re(dmpe)(3)](+) at concentrations down to 2 x 10(-6) M was accomplished by electrochemical modulation of the complex and monitoring absorbance by attenuated total reflectance (ATR). C1 [Morris, Laura K.; Seliskar, Carl J.; Heineman, William R.] Univ Cincinnati, Dept Chem, Cincinnati, OH 45221 USA. [Del Negro, Andrew S.; Bryan, Samuel A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Seliskar, CJ (reprint author), Univ Cincinnati, Dept Chem, 301 Clifton Court, Cincinnati, OH 45221 USA. EM carl.j.seliskar@uc.edu; william.heineman@uc.edu RI Bryan, Samuel/D-5457-2015 OI Bryan, Samuel/0000-0001-5664-3249 FU Office of Science (BER); U.S. Department of Energy [DE-FG02-07ER64353, DE-FG0799ER62331] FX This research was supported by the Office of Science (BER), U.S. Department of Energy, Grant Number DE-FG02-07ER64353 and by the Office of Environmental Managements Sciences Program of the U.S. Department of Energy, Grant number DE-FG0799ER62331. NR 36 TC 7 Z9 7 U1 0 U2 7 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1040-0397 J9 ELECTROANAL JI Electroanalysis PD OCT PY 2009 VL 21 IS 19 BP 2091 EP 2098 DI 10.1002/elan.200904651 PG 8 WC Chemistry, Analytical; Electrochemistry SC Chemistry; Electrochemistry GA 506JL UT WOS:000270771000002 ER PT J AU Nam, KW Yoon, WS Zaghib, K Chung, KY Yang, XQ AF Nam, Kyung-Wan Yoon, Won-Sub Zaghib, Karim Chung, Kyung Yoon Yang, Xiao-Qing TI The phase transition behaviors of Li1-xMn0.5Fe0.5PO4 during lithium extraction studied by in situ X-ray absorption and diffraction techniques SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE Lithium-ion batteries; Olivine structure; LiFePO4; Solid solution mechanism; X-ray absorption near edge structure ID ELECTRODE MATERIALS; ION BATTERIES; CATHODE; SPECTROSCOPY; TEMPERATURE; LI-1-XFEPO4; MECHANISM; LIFEPO4; LICOPO4; CHARGE AB How the structural changes take place in LiMnyFe1-yPO4-type cathode materials during lithium extraction/insertion is an important issue, especially on if they go through the single-phase reaction (i.e., solid solution reaction) or the two-phase reaction regions. Here we report the studies on the phase transition behaviors of a carbon coated Li1-xMn0.5Fe0.5PO4 (C-Li1-xMn0.5Fe0.5PO4, 0.0 <= X <= 1.0) sample during the first charge using in situ X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD) techniques. The combination of in situ XAS and XRD results clearly identify two two-phase coexistence regions at two voltage plateaus of 3.6 (Fe2+/Fe3+) and 4.2 V (Mn2+/Mn3+) and a narrow intermediate region which proceeds via single-phase reaction in between two two-phase regions. In addition, simultaneous redox reactions of Fe2+/Fe3+ and Mn2+/Mn3+ in the narrow single-phase region are reported and discussed for the first time. (C) 2009 Elsevier B.V. All rights reserved. C1 [Yoon, Won-Sub] Kookmin Univ, Sch Adv Mat Engn, Seoul 136702, South Korea. [Nam, Kyung-Wan; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Zaghib, Karim] Inst Rech Hydroquebec IREQ, Varennes, PQ J3X 1S1, Canada. [Chung, Kyung Yoon] Korea Inst Sci & Technol, Battery Res Ctr, Seoul 136791, South Korea. RP Yoon, WS (reprint author), Kookmin Univ, Sch Adv Mat Engn, 861-1 Jeongneung Dong, Seoul 136702, South Korea. EM wsyoon@kookmin.ac.kr RI Chung, Kyung Yoon/E-4646-2011; Nam, Kyung-Wan Nam/G-9271-2011; Yoon, Won-Sub/H-2343-2011; Nam, Kyung-Wan/B-9029-2013; Nam, Kyung-Wan/E-9063-2015 OI Chung, Kyung Yoon/0000-0002-1273-746X; Nam, Kyung-Wan/0000-0001-6278-6369; Nam, Kyung-Wan/0000-0001-6278-6369 FU US Department of Energy [DEAC02-98CH10886]; Ministry of Knowledge Economy, Korea [2008-EEL11-P-08-3-010, 2009T100100557]; Kookmin University in Korea FX The work at BNL was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, under the program of "Hybrid and Electric Systems", of the US Department of Energy under Contract Number DEAC02-98CH10886. The work at Kookmin University was supported by the Energy & Resources Development Program (2008-EEL11-P-08-3-010) and Energy R&D program (2009T100100557) of Ministry of Knowledge Economy, Korea. This work was supported by the new faculty research program 2008 of Kookmin University in Korea. NR 22 TC 21 Z9 22 U1 3 U2 63 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD OCT PY 2009 VL 11 IS 10 BP 2023 EP 2026 DI 10.1016/j.elecom.2009.08.044 PG 4 WC Electrochemistry SC Electrochemistry GA 516VL UT WOS:000271571300044 ER PT J AU Shao, YY Engelhard, M Lin, YH AF Shao, Yuyan Engelhard, Mark Lin, Yuehe TI Electrochemical investigation of polyhalide ion oxidation-reduction on carbon nanotube electrodes for redox flow batteries SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE Redox flow battery; Carbon nanotube; Polyhalide; Reversibility; Renewable energy storage ID COMPOSITE ELECTRODES; PHOTOVOLTAIC SYSTEMS; ENERGY-STORAGE; FUEL-CELLS; COUPLE; FELT; ELECTROCATALYSIS; BIOSENSORS; NAFION AB Polyhalide ions, Br-/BrCl2-(ClBr2-), are an important redox couple for redox flow batteries. The oxidation-reduction behavior of polyhalide ions on carbon nanotube (CNT) electrodes has been investigated with cyclic voltammetry and electrochemical impedance spectroscopy. The onset oxidation potential of Br-/BrCl-(ClBr2-) is negatively shifted by >100 mV, and the redox current peaks are greatly enhanced on the CNT electrode compared with that on the most widely-used graphite electrode. The reaction resistance of the redox couple [Br-/BrCl2-(ClBr2-)] as determined from the electrochemical impedance spectroscopy. is decreased on the CNT electrode for example by one order of magnitude at 900 mV as compared with that on graphite electrode. The redox reversibility is increased on a CNT electrode even though it still needs further improvement. CNT is a promising electrode material for redox flow batteries. (C) 2009 Elsevier B.V. All rights reserved. C1 [Shao, Yuyan; Engelhard, Mark; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Shao, YY (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yuyan.shao@gmail.com; Yuehe.lin@pnl.gov RI Engelhard, Mark/F-1317-2010; Shao, Yuyan/A-9911-2008; Lin, Yuehe/D-9762-2011; OI Shao, Yuyan/0000-0001-5735-2670; Lin, Yuehe/0000-0003-3791-7587; Engelhard, Mark/0000-0002-5543-0812 FU Pacific Northwest National Laboratory (PNNL) FX This work is partially supported by a Laboratory Directed Research and Development program at Pacific Northwest National Laboratory (PNNL). Part of the research described in this paper was performed at the Environmental Molecular Sciences Laboratory, a national scientific-user facility sponsored by the U.S. Department of Energy's (DOE's) Office of Biological and Environmental Research and located at PNNL. PNNL is operated for DOE by Battelle under Contract DE-AC05-76L01830. NR 32 TC 19 Z9 19 U1 2 U2 17 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 EI 1873-1902 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD OCT PY 2009 VL 11 IS 10 BP 2064 EP 2067 DI 10.1016/j.elecom.2009.08.053 PG 4 WC Electrochemistry SC Electrochemistry GA 516VL UT WOS:000271571300054 ER PT J AU Chen, ZH Qin, Y Amine, K AF Chen, Zonghai Qin, Yan Amine, Khalil TI Redox shuttles for safer lithium-ion batteries SO ELECTROCHIMICA ACTA LA English DT Review DE Redox shuttle; Overcharge protection; Lithium-ion battery; Electrolyte additive ID ELECTROCHEMICAL OVERCHARGE PROTECTION; TETRAHYDROFURAN SOLUTIONS; OVERDISCHARGE PROTECTION; ELECTROACTIVE POLYMERS; CHEMICAL OVERCHARGE; ANODIC-OXIDATION; HIGH-VOLTAGE; CELLS; ADDITIVES; ELECTROLYTE AB Overcharge protection is not only critical for preventing the thermal runaway of lithium-ion batteries during operation, but also important for automatic capacity balancing during battery manufacturing and repair. A redox shuttle is an electrolyte additive that can be used as intrinsic overcharge protection mechanism to enhance the safety characteristics of lithium-ion batteries. The advances on stable redox shuttles are briefly reviewed. Fundamental studies for designing stable redox shuttles are also discussed. (C) 2009 Published by Elsevier Ltd. C1 [Chen, Zonghai; Qin, Yan; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Chen, ZH (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM Zonghai.chen@anl.gov; amine@cmt.anl.gov RI Chen, Zonghai/K-8745-2013; Amine, Khalil/K-9344-2013 FU U.S. Department of Energy; Freedom-CAR and Vehicle Technologies Office; Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC [DE-AC0Z-06CH11357] FX Research was supported by U.S. Department of Energy, Freedom-CAR and Vehicle Technologies Office. Argonne National Laboratory is operated for the U.S. Department of Energy by UChicago Argonne, LLC, under contract DE-AC0Z-06CH11357.; The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory (Argonne). The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 44 TC 74 Z9 77 U1 12 U2 108 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 EI 1873-3859 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD OCT 1 PY 2009 VL 54 IS 24 BP 5605 EP 5613 DI 10.1016/j.electacta.2009.05.017 PG 9 WC Electrochemistry SC Electrochemistry GA 475QJ UT WOS:000268374900001 ER PT J AU Teixidor, GT Park, BY Mukherjee, PP Kang, Q Madou, MJ AF Teixidor, G. Turon Park, B. Y. Mukherjee, P. P. Kang, Q. Madou, M. J. TI Modeling fractal electrodes for Li-ion batteries SO ELECTROCHIMICA ACTA LA English DT Review DE Fractal electrodes; Lithium-ion battery; Modeling; Charging time; Surface area ID LITHIUM INTERCALATION; ELECTROCHEMISTRY; IMPEDANCE; DIMENSION AB This paper presents a first approximation to the theoretical analysis of fractal-like electrodes for lithium-ion batteries, and demonstrates that fractals constitute an optimal electrode configuration for electrochemical energy storage systems. The model considers a generalized description of three-dimensional, non-deterministic branching structures composed of cylindrical elements for the electrode design. Each element is attached to a branch in an iterative process. At every branching step, the "parent" branch divides into N "child" branches (N being a random variable with a defined probability distribution). At the same time. the dimensions of the radii and lengths of the branches are also determined by a stochastic process. With this model, the charge characteristics of several fractal electrodes corresponding to different geometric configurations are simulated, and the optimal parameters are obtained. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Teixidor, G. Turon; Madou, M. J.] Univ Calif Irvine, Irvine, CA 92697 USA. [Park, B. Y.] Carbon Micro Battery Corp, Irvine, CA 92618 USA. [Mukherjee, P. P.; Kang, Q.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Teixidor, GT (reprint author), Univ Calif Irvine, 4200 Engn Gateway Bldg, Irvine, CA 92697 USA. EM gturonte@uci.edu RI Madou, Marc/E-5869-2013; Kang, Qinjun/A-2585-2010 OI Madou, Marc/0000-0003-4847-3117; Kang, Qinjun/0000-0002-4754-2240 FU UC-LAB [09-LR-09-117362-MADM]; Carbon Micro Battery Corporation; National Science foundation FX The authors would like to thank the UC-LAB program, award number 09-LR-09-117362-MADM, for funding this research. GTT would also like to thank Carbon Micro Battery Corporation and the National Science foundation for their financial support. The thoughtful comments of L. Kulinsky and J.M. Soler Carbonell about the manuscript are greatly appreciated. NR 20 TC 14 Z9 14 U1 5 U2 28 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD OCT 1 PY 2009 VL 54 IS 24 BP 5928 EP 5936 DI 10.1016/j.electacta.2009.05.060 PG 9 WC Electrochemistry SC Electrochemistry GA 475QJ UT WOS:000268374900049 ER PT J AU Nakano, J Sridhar, S Moss, T Bennett, J Kwong, KS AF Nakano, Jinichiro Sridhar, Seetharaman Moss, Tyler Bennett, James Kwong, Kyei-Sing TI Crystallization of Synthetic Coal-Petcoke Slag Mixtures Simulating Those Encountered in Entrained Bed Slagging Gasifiers SO ENERGY & FUELS LA English DT Article ID HOT THERMOCOUPLE TECHNIQUE; PETROLEUM COKE ASH; CARBON; REDUCTION; VANADIUM; GLASS; IRON; EQUILIBRIA; STEEL; MELTS AB Commercial entrained bed slagging gasifiers use a carbon feedstock of coal, petcoke, or combinations of them to produce CO and H(2). These carbon sources contain mineral impurities that liquefy during gasification and flow down the gasification sidewall, interacting with the refractory linear and solidifying in the cooler zones of the gasifier. Proper slag flow is critical to good gasifier operation. A hot-stage confocal scanning laser microscope (CSLM) was used to analyze the kinetic behavior of slag crystallization for a range of synthetic coal-petcoke mixtures. On the basis of the observed precipitation during cool down studies in the 1200-1700 degrees C temperature range, a time-temperature-transformation (TTT) diagram was created. The crystallization studies were conducted with a CO/CO(2) (= 1.8) corresponding to a gasification P(O2) of approximately 10(-8) atm at 1500 degrees C. Ash chemistries were chosen such that they correspond to coal-petcoke feedstock mixtures with coal ash amounts of 0, 10, 30, 50, 70, and 100% (by weight), with the balance being petcoke ash. The TTT diagram exhibited two crystallization areas, one above and one below 1350 degrees C. At the nose of the higher temperature curves, karelianite (V(2)O(3)) crystallization occurred and was fastest for a 30% coal-petcoke ash mixture. The second nose was located below 1350 degrees C and had spineltype phases that formed at 1200 degrees C, in which preferred atomic occupation at the octahedral and tetrahedral sites varied depending upon the ash composition. At 1200 degrees C, an Al-rich spinel formed for 100% coal slag and a Fe-rich spinel formed in petcoke-enriched slags. The addition of petcoke ash to coal ash promoted crystallization in the slag, with additional crystalline phases, such as V-rich spinel, forming at the lower temperatures. These phases were not predicted using commercially available databases. C1 [Nakano, Jinichiro; Sridhar, Seetharaman] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Nakano, Jinichiro; Sridhar, Seetharaman; Moss, Tyler] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Bennett, James; Kwong, Kyei-Sing] Natl Energy Technol Lab, Albany, OR 97321 USA. RP Nakano, J (reprint author), Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. EM jinichiro@gmail.com FU National Energy Technology Laboratory, U.S. Department of Energy [NT41816] FX This research was funded by the National Energy Technology Laboratory, U.S. Department of Energy, under contract NT41816. The authors thank Dr. Il Sohn (U.S. Steel, Pittsburgh, PA) for carrying out ICP analyses for the synthetic slag compositions. Dr. Paolo Nolli (Vesuvius, Pittsburgh, PA) is acknowledged for machining the refractory samples. The authors are also grateful to Dr. George Shannon (Carnegie Mellon University, Pittsburgh, PA) for the mass transport experiment and calculations. Mr. Thomas Nuhfer (Carnegie Mellon University) must also be acknowledged for his valuable discussion on crystallography. NR 30 TC 18 Z9 19 U1 4 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD OCT PY 2009 VL 23 BP 4723 EP 4733 DI 10.1021/ef801064y PG 11 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 505EI UT WOS:000270671800004 ER PT J AU Sundaram, SK Johnson, KI Matyas, J Williford, RE Pilli, SP Korolev, VN AF Sundaram, S. K. Johnson, K. I. Matyas, J. Williford, R. E. Pilli, S. P. Korolev, V. N. TI An Integrated Approach to Coal Gasifier Testing, Modeling, and Process Optimization SO ENERGY & FUELS LA English DT Article ID SLAG; GASIFICATION; SIMULATION; CORROSION AB Gasification is an important method of converting coal into clean-burning fuels and high-value industrial chemicals. However, gasifier reliability can be severely limited by rapid degradation of the refractory lining in hot-wall gasifiers. This paper describes an integrated approach to provide the experimental data and engineering models needed to better understand how to control gasifier operation for extended refractory life. The experimental program includes slag viscosity testing and measurement of slag penetration into refractories as a function of time and temperature. The experimental data is used in slag flow, slag penetration, and refractory damage models to predict the limits on operating temperature for increased refractory life. A simplified entrained flow gasifier model is also described to simulate one-dimensional axial flow with average axial velocity, coal devolatilization, and combustion kinetics. The goal of this experimental and model program is to predict coal and oxidant feed rates and to control the gasifier operation to balance coal conversion efficiency with increased refractory life. C1 [Sundaram, S. K.; Johnson, K. I.; Matyas, J.; Williford, R. E.; Pilli, S. P.; Korolev, V. N.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Sundaram, SK (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM sk.sundaram@pnl.gov FU Battelle Memorial Institute [DE-AC06-76RLO-1830] FX This work was supported by the PNNL Laboratory Directed Research and Development Program of the Energy Conversion Initiative. Pacific Northwest National Laboratory is operated for the US Department of Energy (DOE) by Battelle Memorial Institute under contract DE-AC06-76RLO-1830. The authors would like to acknowledge the support and guidance of Dr. George-Muntean of PNNL. NR 25 TC 6 Z9 6 U1 2 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD OCT PY 2009 VL 23 BP 4748 EP 4754 DI 10.1021/ef900101a PG 7 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 505EI UT WOS:000270671800007 ER PT J AU Solunke, RD Veser, G AF Solunke, Rahul D. Veser, Goetz TI Nanocomposite Oxygen Carriers for Chemical-Looping Combustion of Sulfur-Contaminated Synthesis Gas SO ENERGY & FUELS LA English DT Article ID CARBON DEPOSITION; REDUCTION; BEHAVIOR; TEMPERATURE; SYNGAS; CASO4; OXIDE; FUEL; CLC AB Chemical-looping combustion (CLC) is an emerging technology for clean combustion. We have previously demonstrated that the embedding of metal nanoparticles into a nanostructured ceramic matrix can result in unusually active and sinter-resistant nanocomposite oxygen carrier materials for CLC, which combine the high reactivity of metals with the high-temperature stability of ceramics. In the present study, we investigate the effect of H(2)S in a typical coal-derived syngas on the stability and redox kinetics of Ni- and Cu-based nanostructured oxygen carriers. Both carriers show excellent structural stability and only mildly changed redox kinetics upon exposure to H(2)S, despite a significant degree of sulfide formation. Surprisingly, partial sulfidation of the support results in a strong increase in oxygen carrier capacity in both cases because of the addition of a sulfide-sulfate cycle. Overall, the carriers show great potential for use in CLC of high-sulfur fuels. C1 [Veser, Goetz] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. Univ Pittsburgh, Dept Chem Engn, Swanson Sch Engn, Pittsburgh, PA 15261 USA. RP Veser, G (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM gveser@pitt.edu RI Veser, Goetz/I-5727-2013 FU National Energy Technology Laboratory under the RDS FX This technical effort,was performed in support of the ongoing research of the National Energy Technology Laboratory under the RDS contract DE-AC26-04NT41817. The authors gratefully acknowledge the assistance of Dr. J. D. Monell (University of Pittsburgh) in the TGA studies. NR 21 TC 19 Z9 19 U1 0 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD OCT PY 2009 VL 23 BP 4787 EP 4796 DI 10.1021/ef900280m PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 505EI UT WOS:000270671800013 ER PT J AU Heintz, YJ Sehabiague, L Morsi, BI Jones, KL Luebke, DR Pennline, HW AF Heintz, Yannick J. Sehabiague, Laurent Morsi, Badie I. Jones, Kenneth L. Luebke, David R. Pennline, Henry W. TI Hydrogen Sulfide and Carbon Dioxide Removal from Dry Fuel Gas Streams Using an Ionic Liquid as a Physical Solvent SO ENERGY & FUELS LA English DT Article ID THERMODYNAMIC PROPERTIES; SOLUBILITY; CO2; HEXAFLUOROPHOSPHATE; TEMPERATURES; PREDICTION; PRESSURES; CATALYSIS; TOXICITY; CAPTURE AB The mole fraction solubilities (x*) and volumetric liquid-side mass-transfer coefficients (k(L)a) for H(2)S and CO(2) in the ionic liquid, TEGO IL K5, (a quaternary ammonium polyether) were measured under different pressures (up to 30 bar) and temperatures (up to 500 K) in a 4 L ZipperClave agitated reactor. CO(2) and N(2), as single gases, and a H(2)S/N(2) gaseous mixture were used in the experiments. The solubilities of H(2)S and CO(2) were found to increase with pressure and decrease with temperature within the experimental conditions used. The H(2)S solubilities in the ionic liquid (IL) were greater than those of CO(2) within the temperature range investigated (300-500 K) up to a H(2)S partial pressure of 2.33 bar. Hence, the IL can be effectively used to capture both H(2)S and CO(2) from dry fuel gas stream within the temperature range from 300 to 500 K under a total pressure up to 30 bar. The presence of H(2)S in the H(2)S/N(2) mixture created mass-transfer resistance, which decreased k(L)a values for N(2). The k(L)a and x* values of CO(2) were found to be greater than those of N(2) in the IL, which highlight the stronger selectivity of this physical solvent toward CO(2) than toward N(2). In addition, within the temperature range from 300 to 500 K, the solubility and k(L)a of H(2)S in the IL were greater than those of CO(2), suggesting that not only can H(2)S be more easily captured from dry fuel gas streams but also a shorter absorber can be employed for H(2)S capture than that for CO(2). C1 [Heintz, Yannick J.; Morsi, Badie I.; Jones, Kenneth L.; Luebke, David R.; Pennline, Henry W.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Heintz, Yannick J.; Sehabiague, Laurent; Morsi, Badie I.] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. RP Morsi, BI (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM morsi@pitt.edu RI Sehabiague, Laurent/J-7273-2012; OI Sehabiague, Laurent/0000-0001-7402-2550 FU National Energy Technology Laboratory of the U.S. Department of Energy under RDS [DE-AC26-04-NT41817] FX The technical effort was performed in support of ongoing carbon dioxide research at the National Energy Technology Laboratory of the U.S. Department of Energy under RDS contract DE-AC26-04-NT41817. The authors wish to offer special thanks to Evonik Degussa GmbH for supplying the IL used in this work. NR 54 TC 39 Z9 40 U1 0 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD OCT PY 2009 VL 23 BP 4822 EP 4830 DI 10.1021/ef900281v PG 9 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 505EI UT WOS:000270671800017 ER PT J AU Gray, ML Hoffman, JS Hreha, DC Fauth, DJ Hedges, SW Champagne, KJ Pennline, HW AF Gray, M. L. Hoffman, J. S. Hreha, D. C. Fauth, D. J. Hedges, S. W. Champagne, K. J. Pennline, H. W. TI Parametric Study of Solid Amine Sorbents for the Capture of Carbon Dioxide SO ENERGY & FUELS LA English DT Article ID PERFORMANCE AB Solid amine sorbents were prepared using mixtures of linear and branched primary, secondary, and tertiary amines. These amines were immobilized within polystyrene (PS)-, silicon dioxide (SiO(2))-, or polymethylmethacrylate (PMMA)-based substrates at various weight ratios. Testing was conducted in various reactor systems, where the reactive water required for the capture of carbon dioxide (CO(2)) was tracked during the adsorption/desorption cycles by mass spectrometer gas analysis. The water management for these sorbents was quantified and used to assess the technical feasibility of the operating conditions for the capture of CO(2) from simulated flue gas streams. In addition, the heats of reaction and performance capture loading capacities of these sorbents were also determined by differential scanning calorimetry (DSC) and thermogravimetric analyses (TGAs), respectively, in both dry and humidified CO(2) gas streams. The regenerable solid amine sorbents investigated in this study exhibit acceptable CO(2)-capture loading capacities of 2.5-3.5 mol of CO(2)/kg of sorbent by TGA and a laboratory-scale fixed-bed reactor. These sorbents were stable over the adsorption/desorption temperature range of 25-105 degrees C for 10-cyclic tests. According to the DSC analysis, the heat of reaction generated by these sorbents was in the range of 400-600 Btu/lb. CO(2), which will require a reactor with heat management capabilities. C1 [Gray, M. L.; Hoffman, J. S.; Fauth, D. J.; Hedges, S. W.; Champagne, K. J.; Pennline, H. W.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Hreha, D. C.] Parsons, Pittsburgh, PA 15219 USA. RP Gray, ML (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM gray@netl.doe.gov NR 6 TC 101 Z9 103 U1 4 U2 51 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD OCT PY 2009 VL 23 BP 4840 EP 4844 DI 10.1021/ef9001204 PG 5 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 505EI UT WOS:000270671800019 ER PT J AU Sakurovs, R Radlinski, AP Melnichenko, YB Blach, T Cheng, G Lemmel, H Rauch, H AF Sakurovs, Richard Radlinski, Andrzej P. Melnichenko, Yuri B. Blach, Tomas Cheng, Gang Lemmel, Hartmut Rauch, Helmut TI Stability of the Bituminous Coal Microstructure upon Exposure to High Pressures of Helium SO ENERGY & FUELS LA English DT Article ID ANGLE NEUTRON-SCATTERING; CO2 SORPTION; SUPERCRITICAL CONDITIONS; AUSTRALIAN COALS; METHANE RECOVERY; CARBON-DIOXIDE; ADSORPTION; ROCKS; SURFACE; TEMPERATURE AB Small-angle neutron scattering (SANS) and ultra-small-angle neutron scattering (USANS) measurements of the structure of two Australian bituminous coals(particle size of 1-0.5 mm) before, during, and after exposure to 155 bar of helium were made to identify any effects of pressure alone on the pore size distribution of coal and any irreversible effects upon exposure to high pressures of helium in the pore size range from 3 nm to 10 mu m. No irreversible effects upon exposure were identified for any pore size. No effects of pressure on pore size distribution were observed, except for a small effect at a pore size of about 2 mu m for one coal. This study provides a convenient baseline for SANS and USANS investigations on sorption of gases at elevated pressures on coals, by distinguishing between the effect of pressure alone on coal pore size distribution and against the effect of the gas to be investigated. C1 [Sakurovs, Richard] CSIRO Energy Technol, Newcastle, NSW 2300, Australia. [Radlinski, Andrzej P.; Blach, Tomas] Griffith Univ, Nanoscale Sci & Technol Ctr, Brisbane, Qld 4111, Australia. [Melnichenko, Yuri B.; Cheng, Gang] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Lemmel, Hartmut; Rauch, Helmut] Osterreich Univ, Atominst, A-1020 Vienna, Austria. [Lemmel, Hartmut; Rauch, Helmut] Inst Max Von Laue Paul Langevin, F-38000 Grenoble, France. RP Sakurovs, R (reprint author), CSIRO Energy Technol, POB 330, Newcastle, NSW 2300, Australia. EM richard.sakurovs@csiro.au FU Office of Basic Energy Sciences, U.S. Department of Energy FX The research at the High Flux Isotope Reactor of Oak Ridge National Laboratory was sponsored by the Laboratory Directed Research and Development Program and the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 49 TC 8 Z9 9 U1 2 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD OCT PY 2009 VL 23 BP 5022 EP 5026 DI 10.1021/ef900439d PG 5 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 505EI UT WOS:000270671800045 ER PT J AU Plotkin, SE AF Plotkin, Steven E. TI Examining fuel economy and carbon standards for light vehicles SO ENERGY POLICY LA English DT Article DE Fuel economy; Light-duty vehicles; Carbon standards AB This paper examines fuel economy and carbon standards for light vehicles (passenger cars and light trucks), discussing the rationale for standards, appropriate degrees of stringency and timing, regulatory structure, and ways to deal with "real world" fuel economy issues that may not be dealt with by the standards. There is no optimum method of establishing the stringency of a standard, but policymakers can be informed by analyses of technology cost-effectiveness from the viewpoint of different actors (e.g., society, vehicle purchasers) and of "top runners"-vehicles in the current fleet, or projections of future leading vehicles, that can serve as models for average vehicles some years later. The focus of the paper is on the US light vehicle fleet, with some discussion of applications to the European Union. A "leading edge" midsize car for the 2020 timeframe is identified, and various types of attribute-based standards are discussed. For the US, a 12-15 year target for new vehicle fleet improvement of 30-50% seems a reasonable starting point for negotiations. For 2030 or so, doubling current fuel economy is possible. In both cases, adjustments must be made in response to changing economic circumstances and government and societal priorities. (C) 2009 Elsevier Ltd. All rights reserved. C1 Argonne Natl Lab, Washington, DC USA. RP Plotkin, SE (reprint author), Argonne Natl Lab, Washington, DC USA. EM splotkin@anl.gov NR 20 TC 20 Z9 20 U1 0 U2 2 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD OCT PY 2009 VL 37 IS 10 BP 3843 EP 3853 DI 10.1016/j.enpol.2009.07.013 PG 11 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 504VU UT WOS:000270646700014 ER PT J AU Diefenderfer, HL Sobocinski, KL Thom, RM May, CW Borde, AB Southard, SL Vavrinec, J Sather, NK AF Diefenderfer, Heida L. Sobocinski, Kathryn L. Thom, Ronald M. May, Christopher W. Borde, Amy B. Southard, Susan L. Vavrinec, John Sather, Nichole K. TI Multiscale Analysis of Restoration Priorities for Marine Shoreline Planning SO ENVIRONMENTAL MANAGEMENT LA English DT Article DE Coastal management; Estuarine restoration; GIS; Pacific Northwest; Prioritization; Puget Sound ID COASTAL ZONE MANAGEMENT; LAND-USE; FRAGMENTED LANDSCAPES; ADAPTIVE MANAGEMENT; STREAM ECOSYSTEMS; URBANIZATION; IMPACTS; PROJECTS; ECOLOGY; SYSTEMS AB Planners are being called on to prioritize marine shorelines for conservation status and restoration action. This study documents an approach to determining the management strategy most likely to succeed based on current conditions at local and landscape scales. The conceptual framework based in restoration ecology pairs appropriate restoration strategies with sites based on the likelihood of producing long-term resilience given the condition of ecosystem structures and processes at three scales: the shorezone unit (site), the drift cell reach (near-shore marine landscape), and the watershed (terrestrial landscape). The analysis is structured by a conceptual ecosystem model that identifies anthropogenic impacts on targeted ecosystem functions. A scoring system, weighted by geomorphic class, is applied to available spatial data for indicators of stress and function using geographic information systems. This planning tool augments other approaches to prioritizing restoration, including historical conditions and change analysis and ecosystem valuation. C1 [Diefenderfer, Heida L.; Sobocinski, Kathryn L.; Thom, Ronald M.; May, Christopher W.; Borde, Amy B.; Southard, Susan L.; Vavrinec, John; Sather, Nichole K.] Pacific NW Natl Lab, Marine Sci Lab, Sequim, WA 98382 USA. RP Diefenderfer, HL (reprint author), Pacific NW Natl Lab, Marine Sci Lab, 1529 W Sequim Bay Rd, Sequim, WA 98382 USA. EM heida.diefenderfer@pnl.gov NR 93 TC 6 Z9 9 U1 3 U2 27 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0364-152X EI 1432-1009 J9 ENVIRON MANAGE JI Environ. Manage. PD OCT PY 2009 VL 44 IS 4 BP 712 EP 731 DI 10.1007/s00267-009-9298-4 PG 20 WC Environmental Sciences SC Environmental Sciences & Ecology GA 502HR UT WOS:000270448900009 PM 19495862 ER PT J AU Van Nostrand, JD Wu, WM Wu, LY Deng, Y Carley, J Carroll, S He, ZL Gu, BH Luo, J Criddle, CS Watson, DB Jardine, PM Marsh, TL Tiedje, JM Hazen, TC Zhou, JZ AF Van Nostrand, Joy D. Wu, Wei-Min Wu, Liyou Deng, Ye Carley, Jack Carroll, Sue He, Zhili Gu, Baohua Luo, Jian Criddle, Craig S. Watson, David B. Jardine, Philip M. Marsh, Terence L. Tiedje, James M. Hazen, Terry C. Zhou, Jizhong TI GeoChip-based analysis of functional microbial communities during the reoxidation of a bioreduced uranium-contaminated aquifer SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SULFATE-REDUCING BACTERIA; CANONICAL CORRESPONDENCE-ANALYSIS; IN-SITU BIOSTIMULATION; DESULFOVIBRIO-VULGARIS; SUBMICROMOLAR LEVELS; U(VI) REDUCTION; GENE DIVERSITY; BIOREMEDIATION; MICROARRAY; SEDIMENTS AB P>A pilot-scale system was established for in situ biostimulation of U(VI) reduction by ethanol addition at the US Department of Energy's (DOE's) Field Research Center (Oak Ridge, TN). After achieving U(VI) reduction, stability of the bioreduced U(IV) was evaluated under conditions of (i) resting (no ethanol injection), (ii) reoxidation by introducing dissolved oxygen (DO), and (iii) reinjection of ethanol. GeoChip, a functional gene array with probes for N, S and C cycling, metal resistance and contaminant degradation genes, was used for monitoring groundwater microbial communities. High diversity of all major functional groups was observed during all experimental phases. The microbial community was extremely responsive to ethanol, showing a substantial change in community structure with increased gene number and diversity after ethanol injections resumed. While gene numbers showed considerable variations, the relative abundance (i.e. percentage of each gene category) of most gene groups changed little. During the reoxidation period, U(VI) increased, suggesting reoxidation of reduced U(IV). However, when introduction of DO was stopped, U(VI) reduction resumed and returned to pre-reoxidation levels. These findings suggest that the community in this system can be stimulated and that the ability to reduce U(VI) can be maintained by the addition of electron donors. This biostimulation approach may potentially offer an effective means for the bioremediation of U(VI)-contaminated sites. C1 [Van Nostrand, Joy D.; Wu, Liyou; Deng, Ye; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Van Nostrand, Joy D.; Wu, Liyou; Deng, Ye; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Van Nostrand, Joy D.; He, Zhili; Hazen, Terry C.; Zhou, Jizhong] Lawrence Berkeley Natl Lab, Virtual Inst Microbial Stress & Survival, Berkeley, CA 94720 USA. [Wu, Wei-Min; Criddle, Craig S.] Stanford Univ, Dept Civil & Environm Engn, Stanford, CA 94305 USA. [Carley, Jack; Carroll, Sue; Gu, Baohua; Watson, David B.; Jardine, Philip M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Luo, Jian] Georgia Inst Technol, Dept Civil & Environm Engn, Atlanta, GA 30332 USA. [Marsh, Terence L.; Tiedje, James M.] Michigan State Univ, Ctr Microbial Ecol, E Lansing, MI 48824 USA. [Hazen, Terry C.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Zhou, JZ (reprint author), Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. EM jzhou@ou.edu RI Gu, Baohua/B-9511-2012; He, Zhili/C-2879-2012; Watson, David/C-3256-2016; Van Nostrand, Joy/F-1740-2016; Hazen, Terry/C-1076-2012 OI ?, ?/0000-0002-7584-0632; Gu, Baohua/0000-0002-7299-2956; Watson, David/0000-0002-4972-4136; Van Nostrand, Joy/0000-0001-9548-6450; Hazen, Terry/0000-0002-2536-9993 FU US DOE [DE-AC02-05CH11231] FX The authors especially thank Chuanmin Ruan and Kenneth Lowe for help with the analytical work. This research was supported by the US DOE under the Environmental Remediation Science Program and the Virtual Institute for Microbial Stress and Survival (http://VIMSS.lbl.gov) supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Genomics Program: GTL through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the U.S. Department of Energy, and by the Oklahoma Center for the Advancement of Science and Technology under Oklahoma Applied Research Support Program. NR 65 TC 67 Z9 71 U1 4 U2 36 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1462-2912 EI 1462-2920 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD OCT PY 2009 VL 11 IS 10 BP 2611 EP 2626 DI 10.1111/j.1462-2920.2009.01986.x PG 16 WC Microbiology SC Microbiology GA 502DA UT WOS:000270433700012 PM 19624708 ER PT J AU Oasmaa, A Elliott, DC Muller, S AF Oasmaa, A. Elliott, D. C. Mueller, S. TI Quality Control in Fast Pyrolysis Bio-Oil Production and Use SO ENVIRONMENTAL PROGRESS & SUSTAINABLE ENERGY LA English DT Article; Proceedings Paper CT International Conference on Thermochemical Conversion Science CY SEP 16-18, 2009 CL Chicago, IL DE standardization; pyrolysis liquid; biofuel; fuel oil specifications ID FLASH PYROLYSIS; LIQUIDS; WOOD AB Introducing a new fuel. fast pyrolysis bio-oil, into The market is not without its challenges. Fast pyrolysis bio-oil is different from conventional liquid fuels, and therefore must overcome both technical and marketing hurdles. To standardize the bio-oil qualify on the market.. specifications are needed and in order to promote its acceptance as a fuel, the methodology should be as similar to that for mineral oils as possible. In the EU a new chemical regulation system is being implemented. The regulation applies to substances manufactured in or imported to the EU in annual quantities of one tonne or more per company. This article will,focus on norms and standards for fast pyrolysis bio-oils. It will include The present status and address, what still has to be done on bio-oil specifications and relevant test methods. The article will address industrial needs in commercialization of the fuel oil use of bio-oil, including the registration. application to the REACH program, as well as development of a standard within ASTM The article will discuss the most important properties of bio-oil and the variation in these properties. it will address the issue of quality follow-up in bio-oil production, including the properties to be followed and the laboratory and on-line monitoring methods. The article will provide a state of the art of fuel oil specifications, test methods, and testing procedures as they are applied to bio-oil. it will review the effort in support of the implementation of an ASTM standard including the methods validation work. (C) 2009 American Institute of Chemical Engineers Environ Prog, 28: 404-409, 2009 C1 [Oasmaa, A.] Tech Res Ctr Finland VTT, FI-02044 Espoo, Finland. [Elliott, D. C.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Oasmaa, A (reprint author), Tech Res Ctr Finland VTT, Biologinkuja 5,POB 1000, FI-02044 Espoo, Finland. EM anja.oasmaa@vtt.fi NR 24 TC 39 Z9 39 U1 0 U2 26 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1944-7442 J9 ENVIRON PROG SUSTAIN JI Environ. Prog. Sustain. Energy PD OCT PY 2009 VL 28 IS 3 BP 404 EP 409 DI 10.1002/ep.10382 PG 6 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Environmental; Engineering, Chemical; Engineering, Industrial; Environmental Sciences SC Science & Technology - Other Topics; Engineering; Environmental Sciences & Ecology GA 496JF UT WOS:000269966500012 ER PT J AU Elliott, DC Hart, TR Neuenschwander, GG Rotness, LJ Zacher, AH AF Elliott, Douglas C. Hart, Todd R. Neuenschwander, Gary G. Rotness, Leslie J. Zacher, Alan H. TI Catalytic Hydroprocessing of Biomass Fast Pyrolysis Bio-oil to Produce Hydrocarbon Products SO ENVIRONMENTAL PROGRESS & SUSTAINABLE ENERGY LA English DT Article; Proceedings Paper CT International Conference on Thermochemical Conversion Science CY SEP 16-18, 2009 CL Chicago, IL DE hydrotreating; hydrodeoxygenation; refinery feedstock; gasoline; diesel AB Catalytic hydroprocessing has been applied to biomass fast pyrolysis liquid product (bio-oil) in a bench-scale continuous-flow fixed-bed reactor system. The intent of the research was to develop process technology; to convert The bio-oil into a petroleum, refinery feedstock to supplement fossil energy resources and to displace imported feedstock. The project was a cooperative research and development agreement among UOP LLC, the National Renewable Energy Laboratory and the Pacific Northwest National Laboratory (PNNL). This article is focused on the process experimentation and product analysis undertaken at PNNL. This article describes the experimental methods used and relates the results of the product analyses. A range of catalyst formulations were tested over a range of operating parameter including temperature, pressure, and flow rate with bio-oil derived from several different biomass feedstocks. Effects of liquid hourly space velocity and catalyst bed temperature were assessed. Details of the process results were presented included product yields and hydrogen consumption. Detailed analysis of The products were provided including elemental composition, chemical functional type determined by mass spectrometry, and product descriptors such as density, viscosity, and total acid number. In conclusion, this article provides an understanding of the efficacy of hydroprocessing as applied to bio-oil. (C) 2009 American Institute of Chemical Engineers Environ Prog, 28: 441-449, 2009 C1 [Elliott, Douglas C.; Hart, Todd R.; Neuenschwander, Gary G.; Rotness, Leslie J.; Zacher, Alan H.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Elliott, DC (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM dougc.elliott@pnl.gov OI Hart, Todd/0000-0001-8013-0689 NR 5 TC 148 Z9 151 U1 1 U2 88 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1944-7442 J9 ENVIRON PROG SUSTAIN JI Environ. Prog. Sustain. Energy PD OCT PY 2009 VL 28 IS 3 BP 441 EP 449 DI 10.1002/ep.10384 PG 9 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Environmental; Engineering, Chemical; Engineering, Industrial; Environmental Sciences SC Science & Technology - Other Topics; Engineering; Environmental Sciences & Ecology GA 496JF UT WOS:000269966500017 ER PT J AU Cziczo, DJ Froyd, KD Gallavardin, SJ Moehler, O Benz, S Saathoff, H Murphy, DM AF Cziczo, Daniel J. Froyd, Karl D. Gallavardin, Stephane J. Moehler, Ottmar Benz, Stefan Saathoff, Harald Murphy, Daniel M. TI Deactivation of ice nuclei due to atmospherically relevant surface coatings SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE ice nucleation; mineral dust; sulfuric acid; ammonium sulfate; cloud chamber ID MINERAL DUST PARTICLES; BIOLOGICAL PARTICLES; CHEMICAL-COMPOSITION; AEROSOL-PARTICLES; AQUEOUS-SOLUTIONS; WATER ACTIVITY; NUCLEATION; CLIMATE; SULFATE AB The ice nucleation characteristics of Arizona test dust (ATD) and illite clay, surrogates for atmospheric ice nuclei, have been determined at the Aerosol Interactions and Dynamics in the Atmosphere (AIDA) chamber located at the Research Center Karlsruhe in Germany. The objective of this research was to determine the effect of sulfuric acid and ammonium sulfate coatings on the ability of these mineral dust surrogates to nucleate ice in an environment where particles realistically compete for water vapor. Coated ATD particles required higher saturations at all temperatures considered, from -20 to -45 degrees C, than did identical uncoated particles. Freezing of coated particles often required saturations approaching those for the homogeneous freezing of aqueous solutions of the coating material alone. Less pronounced effects were found for illite, although the presence of a coating consistently increased the saturation or decreased the temperature required for ice formation. Analysis of ice residue at the single particle level suggests that the first coated particles to freeze had thinner or incomplete coatings when compared to particles that froze later in the expansion. This observation highlights a need to verify coating properties since an assumption of homogeneity of a group of coated aerosols may be incorrect. The increase in saturation ratio for freezing suggests that gas-phase uptake of sulfates, a large fraction of which are due to anthropogenic emissions, will reduce the ice and mixed-phase cloud formation potential of atmospheric ice nuclei. C1 [Cziczo, Daniel J.; Gallavardin, Stephane J.] ETH, Inst Atmospher & Climate Sci, CH-8092 Zurich, Switzerland. [Cziczo, Daniel J.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99354 USA. [Froyd, Karl D.; Murphy, Daniel M.] NOAA, Div Chem Sci, Boulder, CO 80305 USA. [Froyd, Karl D.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Gallavardin, Stephane J.] Johannes Gutenberg Univ Mainz, Inst Atmospher Phys, D-55128 Mainz, Germany. [Moehler, Ottmar; Benz, Stefan; Saathoff, Harald] Karlsruhe Inst Technol, Inst Meteorol & Climate Res, D-76021 Karlsruhe, Germany. RP Cziczo, DJ (reprint author), ETH, Inst Atmospher & Climate Sci, Univ Str 16, CH-8092 Zurich, Switzerland. EM daniel.cziczo@pnl.gov RI Murphy, Daniel/J-4357-2012; Saathoff, Harald/J-8911-2012; Froyd, Karl/H-6607-2013; Mohler, Ottmar/J-9426-2012; Manager, CSD Publications/B-2789-2015 OI Murphy, Daniel/0000-0002-8091-7235; FU ETH; NOAA; ACCENT; European project SCOUT-O3 [GOCE-CT-2004-505390]; PNNL Aerosol Initiative FX We are grateful for the logistical and technical support provided by David Thomson and the AIDA staff. Funding was provided by ETH, NOAA, ACCENT, the European project SCOUT-O3 (GOCE-CT-2004-505390) and the PNNL Aerosol Initiative. NR 36 TC 67 Z9 68 U1 3 U2 36 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD OCT-DEC PY 2009 VL 4 IS 4 AR 044013 DI 10.1088/1748-9326/4/4/044013 PG 9 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 534ME UT WOS:000272900500015 ER PT J AU Rasch, PJ Latham, J Chen, CC AF Rasch, Philip J. Latham, John Chen, Chih-Chieh (Jack) TI Geoengineering by cloud seeding: influence on sea ice and climate system SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE geo-engineering; climate change; global warming; cloud seeding; aerosol indirect effect ID COMMUNITY ATMOSPHERE MODEL; MICROPHYSICS SCHEME; STRATIFORM CLOUDS; VERSION-3 CAM3; STRATOCUMULUS; STABILIZATION; CONDENSATION; CIRCULATION; TRANSPORT; AEROSOLS AB General circulation model computations using a fully coupled ocean-atmosphere model indicate that increasing cloud reflectivity by seeding maritime boundary layer clouds with particles made from seawater may compensate for some of the effects on climate of increasing greenhouse gas concentrations. The chosen seeding strategy (one of many possible scenarios) can restore global averages of temperature, precipitation and sea ice to present day values, but not simultaneously. The response varies nonlinearly with the extent of seeding, and geoengineering generates local changes to important climatic features. The global tradeoffs of restoring ice cover, and cooling the planet, must be assessed alongside the local changes to climate features. C1 [Rasch, Philip J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Latham, John; Chen, Chih-Chieh (Jack)] Natl Ctr Atmospher Res, Boulder, CO 80303 USA. [Latham, John] Univ Manchester, SEAES, Manchester M60 1QD, Lancs, England. RP Rasch, PJ (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN K9-34, Richland, WA 99352 USA. RI Chen, ChihChieh/E-4657-2013 FU CAR/NSF; PNNL; U Calgary FX PJR was supported by NCAR/NSF and PNNL for this work. JL was supported by NCAR/NSF. C-CC and JL were supported by grants from the U Calgary. Simulations were performed at NCAR and on the NSF Teragrid computing system via grant TG-ATM090009. We thank Cecilia Bitz for her comments on the manuscript, and advice/insight into the sea ice and ocean component of the simulations. NR 36 TC 46 Z9 46 U1 2 U2 58 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD OCT-DEC PY 2009 VL 4 IS 4 AR 045112 DI 10.1088/1748-9326/4/4/045112 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 534ME UT WOS:000272900500057 ER PT J AU Schwehr, KA Santschi, PH Kaplan, DI Yeager, CM Brinkmeyer, R AF Schwehr, K. A. Santschi, P. H. Kaplan, D. I. Yeager, C. M. Brinkmeyer, R. TI Organo-Iodine Formation in Soils and Aquifer Sediments at Ambient Concentrations SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID HUMIC SUBSTANCES; FOREST SOIL; MATTER; OXIDATION; CARBON; I-129; RIVER; CHLORINATION; I-129/I-127; IODINATION AB One of the key risk drivers at radioactive waste disposal facilities is radioiodine, especially (121)I. As iodine mobility varies greatly with iodine speciation, experiments with (129)I-contaminated aquifer sediments from the Savannah River Site located in Aiken, SC, were carried out to test iodine interactions with soils and aquifer sediments. Using tracer (125)I(-) and stable (127)I(-) additions, it was shown that such interactions were highly dependent on I(-) concentrations added to sediment suspensions, contact time with the sediment, and organic carbon (OC) content, resulting in an empirical particle-water partition coefficient (K(d)) that was an inverse power function of the added I(-) concentration. However, K(d) values of organically bound (127)I were 3 orders of magnitude higher than those determined after 1-2 weeks of tracer equilibration, approaching those of OC. Under ambient conditions, organo-iodine (OI)was a major fraction (67%) of the total iodine in the dissolved phase and by implication of the particulate phase. As the total concentration of amended I(-) increased, the fraction of detectable dissolved OI decreased. This trend, attributed to OC becoming the limiting factor in the aquifer sediment, explains why at elevated I(-) concentrations OI is often not detected. C1 [Schwehr, K. A.; Santschi, P. H.; Brinkmeyer, R.] Texas A&M Univ, Lab Environm & Oceanog Res, Dept Marine Sci, Galveston, TX 77551 USA. [Kaplan, D. I.; Yeager, C. M.] Savannah River Natl Lab, Aiken, SC 29803 USA. RP Santschi, PH (reprint author), Texas A&M Univ, Lab Environm & Oceanog Res, Dept Marine Sci, 5007 Ave U, Galveston, TX 77551 USA. EM santschi@tamug.edu RI Santschi, Peter/D-5712-2012 FU Environmental Remediation Sciences Program (ERSP); Climate and Environmental Sciences Division; Office of Biological and Environmental Research (BER); Office of Science; U.S. Department of Energy [DE-FG0208ER64567, DE-AC09-96SR18500]; National Science Foundation (NSF) [EAR 0538074]; Texas Institute of Oceanography FX This work was supported in part by the Environmental Remediation Sciences Program (ERSP), which is within the Climate and Environmental Sciences Division, Office of Biological and Environmental Research (BER), the Office of Science, U.S. Department of Energy (Grant DE-FG0208ER64567), the National Science Foundation (NSF) (EAR 0538074), and the Texas Institute of Oceanography. Work was conducted at the Savannah River National Laboratory (SRNL) under U.S. Department of Energy Contract DE-AC09-96SR18500. This paper is dedicated to Jacques Buffle on his retirement. NR 55 TC 42 Z9 42 U1 1 U2 34 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD OCT 1 PY 2009 VL 43 IS 19 BP 7258 EP 7264 DI 10.1021/es900795k PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 498JT UT WOS:000270136500019 PM 19848131 ER PT J AU Fandeur, D Juillot, F Morin, G Olivi, L Cognigni, A Webb, SM Ambrosi, JP Fritsch, E Guyot, F Brown, GE AF Fandeur, Dik Juillot, Farid Morin, Guillaume Olivi, Luca Cognigni, Andrea Webb, Samuel M. Ambrosi, Jean-Paul Fritsch, Emmanuel Guyot, Francois Brown, Gordon E., Jr. TI XANES Evidence for Oxidation of Cr(III)) to Cr(VI) by Mn-Oxides in a Lateritic Regolith Developed on Serpentinized Ultramafic Rocks of New Caledonia SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SP STRAIN SG-1; HEXAVALENT CHROMIUM; MN(II) OXIDATION; MANGANESE OXIDES; TANNERY SLUDGE; SOILS; REDUCTION; TOXICITY; AVAILABILITY; GEOCHEMISTRY AB Although several laboratory studies showed that Mn-oxides are capable of oxidizing Cr(III)) to Cr(VI), very few have reported evidence for such a reaction in natural systems. This study presents new evidence for this redox reaction between Cr(Ill) and Mn-oxides in a lateritic regolith developed on ultramafic rocks in New Caledonia. The studied lateritic regolith presents several units with contrasting amounts of major (Fe, Al, Si, and Mg) and trace (Mn, Cr, Ni, Co) elements, which are related to varying mineralogical compositions. Bulk XANES analyses show the occurrence of Cr(VI) (up to 20 wt % of total chromium) in the unit of the regolith which is also enriched in Mn (up to 21.7wt% MnO), whereas almost no Cr(VI) is detected elsewhere. X-ray powder diffraction indicates that the large amounts of Mn in this unit of the regolith are due to the occurrence of Mn-oxides (identified as a mixture of asbolane, lithiophorite and birnessite) and Mn K-edge XANES data indicate that Mn occurs mainly as Mn(IV) in this unit, although small amounts of Mn(III)) could also be detected. These results strongly suggest a direct role of the Mn-oxides on the occurrence of Cr(VI) through a redox reaction between Cr(III) and Mn(IV) and/or Mn(III). Owing to the much larger toxicity and solubility of Cr(VI), such a co-occurrence of Cr and Mn-oxides in these soils could then represent an important risk for the environment. However,the significant amounts of Cr(VI) released after reacting the samples from the studied sequence with a 0.1 M (NH)(4)H(2)PO(4) solution, designed to remove tightly sorbed chromate species, suggest that Cr(VI) mainly occurs as sorption complexes. This hypothesis is reinforced by spatially resolved XANES analyses, which show that COO is associated with both Mn- and Fe-oxides, and especially at the boundary between these two mineral species. Such a distribution of Cr(VI) suggests a possible readsorption of Cr(VI) onto surrounding Fe-oxyhydroxides (mainly goethite) after oxidation by the Mn(IV)-oxides, These results, added to leaching tests with a 0.01 M CaCl(2) solution indicative of low exchangeability of Cr in the investigated samples, suggest that secondary sorption reactions onto Fe-oxides might significantly decrease the environmental impact of the oxidation of Cr(III) to Cr(VI) by Mn-oxides. C1 [Fandeur, Dik; Juillot, Farid; Morin, Guillaume; Cognigni, Andrea; Fritsch, Emmanuel; Guyot, Francois] Univ Paris Diderot, Univ Paris 06, CNRS, UMR 7590,IPGP,IMPMC, F-75015 Paris, France. [Olivi, Luca] Sincrotrone Trieste ELETTRA, I-34012 Trieste, Italy. [Webb, Samuel M.; Brown, Gordon E., Jr.] SLAC, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. [Ambrosi, Jean-Paul] Univ Aix Marseille 3, CNRS, CEREGE, UMR 6635, F-13545 Aix En Provence 4, France. [Brown, Gordon E., Jr.] Stanford Univ, Surface & Aqueous Geochem Grp, Dept Geol & Environm Sci, Stanford, CA 94305 USA. RP Fandeur, D (reprint author), Univ Paris Diderot, Univ Paris 06, CNRS, UMR 7590,IPGP,IMPMC, 140 Rue Lourmel, F-75015 Paris, France. RI Webb, Samuel/D-4778-2009; GUYOT, Francois/C-3824-2016; JUILLOT, Farid/G-7943-2016; IMPMC, Geobio/F-8819-2016 OI Webb, Samuel/0000-0003-1188-0464; GUYOT, Francois/0000-0003-4622-2218; FU CNRS; French National Research Council FX The technical staff of the ELETTRA (Trieste, Italy) and SSRL (Stanford, CA) Synchrotron Facflities are greatly acknowledged for providing good beam conditions during bulk and, u-XANES measurements. We thank Thierry Pillorge (IRD Bondy, France) for preparing the thin sections and Cecile Quantin (IDES, Paris Sud University, France) for assistance and fruitful discussions during the selective chemical extraction experiments. We also thank Marc Benedetti (LGE, Paris Diderot University, France), Marie-Evelyne Pinnard and Gurvan Le FaUcheur (Chemistry Department, Paris Diderot University, France) for help and assistance during FAAS measurements. Michel Fialin and Frederic Couffignal (CAMPARIS center, UPMC University, France) are also acknowledged for their assistance during EPMA analyses and Sylvain Locati (IRD, Institut de Mineralogie et de Physique des Milieux Condenses, France) is thanked for help during the colorimetric measurements. This work was supported by the CNRS and the French National Research Council (ANR ECCO program, "NiKo" project), an ACI/FNS grant (No. 3033), a SESAME ldF grant (No. 1775), an NSF-Stanford Environmental Molecular Science Institute Grant (CHE-0431.425), and the France- Stanford Center for Interdisciplinary Studies, Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource, a national user facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences.The SSRI, Structural Molecular Biology Program is supported by the Department of Energy, Office of Biological and Environmental Research, and bythe National Institutes of Health, National Center for Research Resources, Biomedical Technology Program. This is IPGP contribution No. 251.0. NR 54 TC 46 Z9 46 U1 4 U2 72 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD OCT 1 PY 2009 VL 43 IS 19 BP 7384 EP 7390 DI 10.1021/es900498r PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 498JT UT WOS:000270136500038 PM 19848150 ER PT J AU Nico, PS Stewart, BD Fendorf, S AF Nico, Peter S. Stewart, Brandy D. Fendorf, Scott TI Incorporation of Oxidized Uranium into Fe (Hydr)oxides during Fe(II) Catalyzed Remineralization SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; CARBON-STEEL SURFACES; MINERALIZATION PATHWAYS; MICROBIAL REDUCTION; REDUCING CONDITIONS; HEXAVALENT URANIUM; IRON; FERRIHYDRITE; ADSORPTION; COMPLEXES AB The form of solid phase U after Fe(II) induced anaerobic remineralization of ferrihydrite in the presence of aqueous and absorbed U(VI) was investigated under both abiotic batch and biotic flow conditions. Experiments were conducted with synthetic ground waters containing 0.168 mM U(VI), 3.8 mM carbonate, and 3.0 mM Ca(2+). In spite of the high solubility of U(VI) under these conditions, appreciable removal of U(VI) from solution was observed in both the abiotic and biotic systems. The majority of the removed U was determined to be substituted as oxidized U (U(VI) or U(V)) into the octahedral position of the goethite and magnetite formed during ferrihydrite remineralization. It is estimated that between 3 and 6% of octahedral Fe(III) centers in the new Fe minerals were occupied by U. This site specific substitution is distinct from the nonspecific U coprecipitation processes in which uranyl compounds, e.g., uranyl hydroxide or carbonate, are entrapped within newly formed Fe oxides. The prevalence of site specific U incorporation under both abiotic and biotic conditions and the fact that the produced solids were shown to be resistant to both extraction (30 mM KHCO(3)) and oxidation (air for 5 days) suggest the potential importance of sequestration in Fe oxides as a stable and immobile form of U in the environment C1 [Nico, Peter S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Stewart, Brandy D.; Fendorf, Scott] Stanford Univ, Stanford, CA 94305 USA. RP Nico, PS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM psnico@lbl.gov RI Nico, Peter/F-6997-2010 OI Nico, Peter/0000-0002-4180-9397 FU U.S. Department of Energy [DE-AC02-05CH11231, ER63609-1021814] FX This work was supported in part by the Office of Biological and Environmental Research, Environmental Remediation Sciences Program, of the U.S. Department of Energy under Contract Nos. DE-AC02-05CH11231 and ER63609-1021814, and by the Stanford NSF Environmental Molecular Science Institute (NSF-CHE-0431425), funded by the National Science Foundation Chemistry and Earth Sciences Divisions. Portions of this research were carried out at the Stanford Svnchrotron Radiation Laboratory, operated by Stanford Ur iversity oil behalf of the U.S. Department of Energy, Office of Basic Energy Sciences and the Advanced Photon Source (U.S. Deparimcri t of Energy, Office of Basic Energy Sciences under contract DE-AC02-06CH11357). GeoSoilEnviroCARS is Supported by the NSF- Earth Science (FAR-0622171), Department of Energy-Gcosciences (DE-FG02-94ER14466) and the State of Illinois. NR 40 TC 53 Z9 53 U1 6 U2 56 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD OCT 1 PY 2009 VL 43 IS 19 BP 7391 EP 7396 DI 10.1021/es900515q PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 498JT UT WOS:000270136500039 PM 19848151 ER PT J AU Patty, C Barnett, B Mooney, B Kahn, A Levy, S Liu, YJ Pianetta, P Andrews, JC AF Patty, Cynthia Barnett, Brandy Mooney, Bridget Kahn, Amanda Levy, Silvio Liu, Yijin Pianetta, Piero Andrews, Joy C. TI Using X-ray Microscopy and Hg L-3 XAMES To Study Hg Binding in the Rhizosphere of Spartina Cordgrass SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SULFATE-REDUCING BACTERIA; MERCURY METHYLATION; MICROBIAL BIOFILMS; PLANTS; SPECIATION; NANOPARTICLES; SEDIMENTS; METALS; BIOACCUMULATION; METHYLMERCURY AB San Francisco Bay has been contaminated historically by mercury from mine tailings as well as contemporary industrial sources, Native Spartina foliosa and non-native S. alterniflora-hybrid cordgrasses are dominant florae within the SF Bay estuary environment. Understanding mercury uptake and transformations in these plants will help to characterize the significance of their roles in mercury biogeochemical cycling in the estuarine environment. Methylated mercury can be biomagnified up the food web, resulting in levels in sport fish up to 1 million times greater than in surrounding waters and resulting in advisories to limit fish intake, Understanding the uptake and methylation of mercury in the plant rhizosphere can yield insight into ways to manage mercury contamination. The transmission X-ray microscope on beamline 6-2 at the Stanford Synchrotron Radiation Lightsource (SSRL) was used to obtain absorption contrast images and 3D tomography of Spartina foliosa roots that were exposed to 1 ppm Hg (as HgCl2) hydroponically for 1 week. Absorption contrast images of micrometer-sized roots from S. foliosa revealed dark particles, and dark channels within the root, due to Hg absorption. 3D tomography showed that the particles are on the root surface, and slices from the tomographic reconstruction revealed that the particles are hollow, consistent with microorganisms with a thin layer of Hg on the surface. Hg L-3 XANES of ground-up plant roots and Hg L-3 micro-XANES from microprobe analysis of micrometersized roots (60-120 mu m in size) revealed three main types of speciation in both Spartina species: Hg-S ligation in a form similar to Hg(II) cysteine, Hg-S bonding as in cinnabar and metacinnabar, and methylmercury-carboxyl bonding in a form similar to methylmercury acetate. These results are interpreted within the context of obtaining a "snapshot" of mercury methylation in progress. C1 [Patty, Cynthia; Pianetta, Piero; Andrews, Joy C.] SSRL, Menlo Pk, CA 94025 USA. [Barnett, Brandy; Mooney, Bridget; Levy, Silvio; Andrews, Joy C.] Calif State Univ E Bay, Dept Chem & Biochem, Hayward, CA 94542 USA. [Kahn, Amanda] Moss Landing Marine Labs, Moss Landing, CA 95039 USA. [Liu, Yijin] Inst High Energy Phys, Beijing 100039, Peoples R China. RP Andrews, JC (reprint author), SSRL, 2575 Sand Hill Rd,SLAC MS 69, Menlo Pk, CA 94025 USA. EM jandrews@slac.stanford.edu RI Liu, Yijin/O-2640-2013 OI Liu, Yijin/0000-0002-8417-2488 FU National Institute of General Medical Sciences FX We thank Susan Opp for her help in statistical treatment of the I-Ig uptake data and Sam Webb, Sean Brennan, Jennifer Cassano, and Sarah Hayes for their help with data collection. A. Kahn and B. Mooney were supported by awards from the CSU East BayAssociated Students and CSIJ East Bayprovided support to J. C. Andrews. SSRL is supported by the Department of Energy, Office of Basic Energy Sciences. The transmission X-ray microscope is supported by NIH/NIBIB grant number 5R01EB004321. The SSRL Structurat Molecular Biology Program is supported by the Department of Energy, Office of Biological and Environmental Research, and by the National Institutes of Health, National Center for Research Resources, Biomedical Technology Program, and the National Institute of General Medical Sciences. NR 39 TC 34 Z9 36 U1 5 U2 48 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD OCT 1 PY 2009 VL 43 IS 19 BP 7397 EP 7402 DI 10.1021/es901076q PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 498JT UT WOS:000270136500040 PM 19848152 ER PT J AU Gorman-Lewis, D Shvareva, T Kubatko, KA Burns, PC Wellman, DM Mcnamara, B Szymanowski, JES Navrotsky, A Fein, JB AF Gorman-Lewis, Drew Shvareva, Tatiana Kubatko, Karrie-Ann Burns, Peter C. Wellman, Dawn M. Mcnamara, Bruce Szymanowski, Jennifer E. S. Navrotsky, Alexandra Fein, Jeremy B. TI Thermodynamic Properties of Autunite, Uranyl Hydrogen Phosphate, and Uranyl Orthophosphate from Solubility and Calorimetric Measurements SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID HIGH-TEMPERATURE CALORIMETRY; ENTHALPIES; MINERALS; BECQUERELITE; DIRECTIONS; PREDICTION; PROGRESS; PHASES AB In this study, we use solubility and drop-solution calorimetry measurements to determine the thermodynamic properties of the uranyl phosphate phases autunite, uranyl hydrogen phosphate, and uranyl orthophosphate. Conducting the solubility measurements from both supersaturated and undersaturated conditions and under different pH conditions rigorously demonstrates attainment of equilibrium and yields well-constrained solubility product values. We use the solubility data and the calorimetry data, respectively,to calculate standard-state Gibbs free energies of formation and standard-state enthalpies of formation for these uranyl phosphate phases Combining these results allows us also to calculate the standard-state entropy of formation for each mineral phase. The results from this study are part of a combined effort to develop reliable and internally consistent thermodynamic data for environmentally relevant uranyl minerals, Data such as these are required to optimize and quantitatively assess the effect of phosphate amendment remediation technologies for uranium contaminated systems. C1 [Gorman-Lewis, Drew; Kubatko, Karrie-Ann; Burns, Peter C.; Szymanowski, Jennifer E. S.; Fein, Jeremy B.] Univ Notre Dame, Dept Civil Engn & Geol Sci, Notre Dame, IN 46556 USA. [Shvareva, Tatiana; Navrotsky, Alexandra] Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA. [Wellman, Dawn M.; Mcnamara, Bruce] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Gorman-Lewis, D (reprint author), Univ Washington, Dept Earth & Space Sci, 070 Johnson Hall, Seattle, WA 98195 USA. EM dgormanl@u.washington.edu RI Burns, Peter/J-3359-2013; OI Burns, Peter/0000-0002-2319-9628; Szymanowski, Jennifer/0000-0002-4052-6301 FU U.S. Department of Energy, Office of Science and Technology FX Funding for this research was provided in part by a U.S. Department of Energy, Office of Science and Technology and International (OST&I) grant tinder the Source Term Thrust program, and in part by a U.S. Department of Energy, Environmental Rernediation Science Program grant. Calorimetry measurements were supported by the U.S. Department of Energy (grant DE-FG02-97ER14749). NR 27 TC 31 Z9 31 U1 4 U2 38 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD OCT 1 PY 2009 VL 43 IS 19 BP 7416 EP 7422 DI 10.1021/es9012933 PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 498JT UT WOS:000270136500043 PM 19848155 ER PT J AU Luo, WS Kelly, SD Kemner, KM Watson, D Zhou, JZ Jardine, PM Gu, BH AF Luo, Wensui Kelly, Shelly D. Kemner, Kenneth M. Watson, David Zhou, Jizhong Jardine, Philip M. Gu, Baohua TI Sequestering Uranium and Technetium through Co-Precipitation with Aluminum in a Contaminated Acidic Environment SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID WEATHERED FRACTURED SAPROLITE/SHALE; LASER-INDUCED FLUORESCENCE; IN-SITU BIOREMEDIATION; IRON REACTIVE BARRIER; MINERALOGICAL CHARACTERISTICS; HUMIC SUBSTANCES; ORGANIC-MATTER; NITRATE; ADSORPTION; SULFATE AB This research evaluated a method of controlled base addition for immobilizing uranium (U) and technetium (Tc) through co-precipitation with aluminum (Al) and other metal ions which coexist in a highly contaminated acidic environment The batch and column experiments indicate that the addition of strong base (NaOH) provided a rapid yet effective means of sequestering U, Tc, and toxic metal ions such as nickel (Ni2+) and cobalt (Co2+) in the sediment and groundwater. Greater than 94% of soluble U (as UO22+) and > 83% of Tc (as TcO4-) can be immobilized at pH above 4.5 by co-precipitation with Al-oxyhydroxides. The presence of sediment minerals appeared to facilitate co-precipitation of these contaminants at lower pH values than those in the absence of sediments. The immobilized U and Tc were found to be stable against dissolution in Ca(NO3)(2) solution (up to 50 mM) because of the formation of strong surface complexes between U or Tc and Al-oxyhydroxides. This research concludes that as long as a relatively high pH (> 5) and a low carbonate concentration are maintained, both U and Tc can be effectively immobilized under given site-specific conditions. C1 [Luo, Wensui; Watson, David; Jardine, Philip M.; Gu, Baohua] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Kelly, Shelly D.; Kemner, Kenneth M.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Dept Bot & Microbiol, Norman, OK 73019 USA. RP Gu, BH (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM gub1@ornl.gov RI Gu, Baohua/B-9511-2012; ID, MRCAT/G-7586-2011; Watson, David/C-3256-2016 OI Gu, Baohua/0000-0002-7299-2956; Watson, David/0000-0002-4972-4136 FU U.S. Department of Energy (DOE) [DE-AC05-00OR22725, DE-AC02-06CH11357]; MRCAT member institutions FX This research was sponsored by the Environmental Remediation Sciences Program, Office of Biological and Environmental Research, U.S. Department of Energy (DOE). Oak Ridge National Laboratory is managed by UT-Battelle LLC for U.S. DOE under contract DE-AC05-00OR22725. The use of the Advanced Photon Source was supported by the DOE Office of Basic Energy Sciences under Contract DE-AC02-06CH11357 with Argonne National Laboratory. MRCAT operations were supported by DOE and the MRCAT member institutions. NR 47 TC 15 Z9 16 U1 2 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD OCT 1 PY 2009 VL 43 IS 19 BP 7516 EP 7522 DI 10.1021/es900731a PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 498JT UT WOS:000270136500058 PM 19848170 ER PT J AU Kibanova, D Nieto-Camacho, A Cervini-Silva, J AF Kibanova, Daria Nieto-Camacho, Antonio Cervini-Silva, Javiera TI Lipid Peroxidation Induced by Expandable Clay Minerals SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID OXIDATIVE STRESS; DIOCTAHEDRAL SMECTITES; RAT-BRAIN; ACID; CHEMISTRY; IRON; NONTRONITES; PARTICLES; MECHANISM; ELEMENTS AB Small-sized environmental particles such as 2:1 phyllosilicates induce oxidative stress, a primary indicator of cell damage and toxicity. Herein, potential hazards of clay particle uptake are addressed. This paper reports that the content and distribution of structural Fe influence the ability of expandable clay minerals to induce lipid peroxidation (LP), a major indicator of oxidative stress, in biological matrices. Three smectite clays, hectorite (SHCa-1) and two nontronites (NAu-1) and (NAu-2) containing varying total content and coordination environment of structural Fe, were selected. Screening and monitoring of LP was conducted using a thiobarbituric acid reactive substances (TBARS) assay, The higher content of TBARS in nontronites than that in SHCa-1 suspensions was explained because structural Fe contributes to LP. The observed lack of correlation between TBARS content and the extent of Fe dissolution indicated that the formation of TBARS is surface controlled. Results showing a high TBARS content in SHCa-1 but not in nontronite supernatant solutions was explained because the former contains distinct soluble chemical component(s) that could (i) induce LP by its (their) own right and (ii) whose chemical affinity for organic ligands used as inhibitors is weak. Clays serve as stronger inductors than 2,2'-azobis(2-amidinopropane) dihydrochloride (AAPH) but are much weaker than FeSO4. The outcome of this work shows that LP is clay surface-controlled and dependent on clay structural composition. C1 [Cervini-Silva, Javiera] Univ Autonoma Metropolitana, Unidad Cuajimalpa UAM C, Dept Proc & Technol, Div Ciencias Nat & Ingn, Mexico City 01120, DF, Mexico. [Kibanova, Daria] Univ Nacl Autonoma Mexico, Fac Quim, Mexico City 04510, DF, Mexico. [Nieto-Camacho, Antonio] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico. [Cervini-Silva, Javiera] NASA, Astrobiol Inst, Berkeley, CA 94720 USA. [Cervini-Silva, Javiera] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Cervini-Silva, J (reprint author), Univ Autonoma Metropolitana, Unidad Cuajimalpa UAM C, Dept Proc & Technol, Div Ciencias Nat & Ingn, Artificios 40,6 Piso, Mexico City 01120, DF, Mexico. EM jcervini@igeograf.unam.mx FU DGAPA-UNAM; UNAM [IN116007-2]; CONACYT [61670]; ECACORE FX The authors express gratitude to M. Sc. Pilar Fernandez Lomelin [Instituto de Geogralia, Universidad Nacional Autonoma de Mexico, (UNAM)l for technical support and Dr. Hugo Destaillats (Lawrence Berkeley National Laboratory) for helpful comments. D.K. is thankful for the support of a DGAPA-UNAM undergraduate scholarship. This project was supported in part by UNAM (PUNTA-PAPIIT Grant IN116007-2), CONACYT (SEP-CONACYT Ciencia Basica 2006, Grant 61670), and by ECACORE 2020 (SEMARNAT-CONACYT). NR 45 TC 14 Z9 15 U1 4 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD OCT 1 PY 2009 VL 43 IS 19 BP 7550 EP 7555 DI 10.1021/es9007917 PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 498JT UT WOS:000270136500063 PM 19848175 ER PT J AU Sengor, SS Barua, S Gikas, P Ginn, TR Peyton, B Sani, RK Spycher, NF AF Sengor, S. Sevinc Barua, Sutapa Gikas, Petros Ginn, Timothy R. Peyton, Brent Sani, Rajesh K. Spycher, Nicolas F. TI INFLUENCE OF HEAVY METALS ON MICROBIAL GROWTH KINETICS INCLUDING LAG TIME: MATHEMATICAL MODELING AND EXPERIMENTAL VERIFICATION SO ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY LA English DT Article DE Growth inhibition kinetics; Heavy metals; Metabolic lag; Modeling ID SULFATE-REDUCING BACTERIA; ACTIVATED-SLUDGE; DESULFOVIBRIO-DESULFURICANS; RESISTANCE MECHANISMS; TOXICITY; COPPER; REDUCTION; NICKEL; ZINC; BIODEGRADATION AB Heavy metals can significantly affect the kinetics of substrate biodegradation and microbial growth, including lag times and specific growth rates. A model to describe microbial metabolic lag as a function of the history of substrate concentration has been previously described by Wood et al. (Water Resour Res 31: 553-563) and Ginn (Water Resour Res 35: 1395-1408). In the present study, this model is extended by including the effect of heavy metals on metabolic lag by developing an inhibitor-dependent functional to account for the metabolic state of the microorganisms. The concentration of the inhibiting metal is explicitly incorporated into the functional. The validity of the model is tested against experimental data on the effects of zinc on Pseudomonas species isolated from Lake Coeur d'Alene sediments, Idaho, USA, as well as the effects of nickel or cobalt on a mixed microbial culture collected from the aeration tank of a wastewater treatment plant in Athens, Greece. The simulations demonstrate the ability to incorporate the effect of metals on metabolism through lag, yield coefficient, and specific growth rates. The model includes growth limitation due to insufficient transfer of oxygen into the growth medium. C1 [Sengor, S. Sevinc; Gikas, Petros; Ginn, Timothy R.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. [Barua, Sutapa; Peyton, Brent] Montana State Univ, Dept Chem & Biol Engn, Bozeman, MT 59717 USA. [Gikas, Petros] Hellen Minist Environm Planning & Publ Works, Special Serv Publ Works Greater Athens Sewerage &, Athens 11474, Greece. [Sani, Rajesh K.] S Dakota Sch Mines & Technol, Dept Chem & Biol Engn, Rapid City, SD 57701 USA. [Spycher, Nicolas F.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Sengor, SS (reprint author), Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. EM sssengor@gmail.com RI Spycher, Nicolas/E-6899-2010; OI Peyton, Brent/0000-0003-0033-0651 FU National Science Foundation [0420374] FX We gratefully acknowledge constructive comments by three anonymous reviewers. This work has been supported by National Science Foundation Grant 0420374. NR 49 TC 15 Z9 16 U1 3 U2 29 PU SETAC PRESS PI PENSACOLA PA 1010 N 12TH AVE, PENSACOLA, FL 32501-3367 USA SN 0730-7268 J9 ENVIRON TOXICOL CHEM JI Environ. Toxicol. Chem. PD OCT PY 2009 VL 28 IS 10 BP 2020 EP 2029 PG 10 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA 492VI UT WOS:000269688800002 PM 19496634 ER PT J AU Osorio, I Chang, FC Gopalsami, N AF Osorio, Ivan Chang, Fon-Chieh Gopalsami, Nachappa TI Seizure control with thermal energy? Modeling of heat diffusivity in brain tissue and computer-based design of a prototype mini-cooler SO EPILEPSY & BEHAVIOR LA English DT Article DE Epileptic seizure; Modeling; Simulation; Pennes equation; ABAQUS code; Metabolic heat; Array; Cooling element; Probe ID ELECTRICAL-STIMULATION AB Automated seizure blockage is a top priority in epileptology. Lowering nervous tissue temperature below a certain level suppresses abnormal neuronal activity, an approach with certain advantages over electrical stimulation, the preferred investigational therapy for pharmacoresistant seizures. A computer model was developed to identify an efficient probe design and parameters that would allow cooling of brain tissue by no less than 21 degrees C in 30 s, maximum, The Pennes equation and the computer code ABAQUS were used to investigate the spatiotemporal behavior of heat diffusivity in brain tissue. Arrays of distributed probes deliver sufficient thermal energy to decrease, inhomogeneously, brain tissue temperature from 37 to 20 degrees C in 30 s and from 37 to 15 degrees C in 60 s. Tissue disruption/loss caused by insertion of this probe is considerably less than that caused by ablative surgery. This model may be applied for the design and development of cooling devices for seizure control. (C) 2009 Elsevier Inc. All rights reserved. C1 [Osorio, Ivan] Univ Kansas, Med Ctr, Kansas City, KS 66103 USA. [Osorio, Ivan] Flint Hills Sci, Lawrence, KS USA. [Chang, Fon-Chieh; Gopalsami, Nachappa] Argonne Natl Lab, Argonne, IL 60439 USA. RP Osorio, I (reprint author), Comprehens Epilepsy Ctr, 3901 Rainbow Blvd, Kansas City, KS 66209 USA. EM iosorio@kumc.edu FU U.S. Department of Energy [ANL-T2-214A] FX This work was supported by funding from the GIPP (Global Initiatives for Proliferation Prevention) Program of the U.S. Department of Energy under Contract ANL-T2-214A. The cooling device was manufactured by Biofil, Sarov, Russia. T. Lyubinskaya, S. Kulikov, V. Baranov, G. Kochemasov, V. Eroshenko, K. Kasza, and N. Bhavaraju contributed invaluably to this project. NR 11 TC 6 Z9 6 U1 1 U2 1 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1525-5050 J9 EPILEPSY BEHAV JI Epilepsy Behav. PD OCT PY 2009 VL 16 IS 2 BP 203 EP 211 DI 10.1016/j.yebeh.2009.08.014 PG 9 WC Behavioral Sciences; Clinical Neurology; Psychiatry SC Behavioral Sciences; Neurosciences & Neurology; Psychiatry GA 510JG UT WOS:000271083800002 PM 19762284 ER PT J AU Jehle, D Fitelson, B AF Jehle, David Fitelson, Branden TI WHAT IS THE "EQUAL WEIGHT VIEW"? SO EPISTEME-A JOURNAL OF INDIVIDUAL AND SOCIAL EPISTEMOLOGY LA English DT Article AB In this paper, we investigate various possible (Bayesian) precisifications of the (somewhat vague) statements of "the equal weight view" (EWV) that have appeared in the recent literature on disagreement. We will show that the renditions of (EWV) that immediately suggest themselves are untenable from a Bayesian point of view. In the end, we will propose some tenable (but not necessarily desirable) interpretations of (EWV). Our aim here will not be to defend any particular Bayesian precisification of (EWV), but rather to raise awareness about some of the difficulties inherent in formulating such precisifications. C1 [Fitelson, Branden] Univ Calif Berkeley, Dept Philosophy, Berkeley, CA USA. [Fitelson, Branden] NASA, Goddard Space Flight Ctr, Argonne Natl Lab, Greenbelt, MD USA. [Fitelson, Branden] Univ Wisconsin, Madison, WI 53706 USA. [Fitelson, Branden] Univ Illinois, Urbana, IL 61801 USA. [Fitelson, Branden] Stanford Univ, Stanford, CA 94305 USA. [Fitelson, Branden] San Jose State Univ, San Jose, CA 95192 USA. NR 20 TC 17 Z9 17 U1 1 U2 1 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1742-3600 EI 1750-0117 J9 EPISTEME-J INDIV SOC JI Episteme PD OCT PY 2009 VL 6 IS 3 BP 280 EP 293 DI 10.3366/E1742360009000719 PG 14 WC Philosophy SC Philosophy GA V32UT UT WOS:000208976800005 ER PT J AU Jin, YD Lee, HJ Koshelev, AE Lee, GH Bae, MH AF Jin, Yong-Duk Lee, Hu-Jong Koshelev, A. E. Lee, Gil-Ho Bae, Myung-Ho TI Coexisting multiple dynamic states generated by magnetic field in Bi2Sr2CaCu2O8+delta stacked Josephson junctions SO EPL LA English DT Article ID LAYERED SUPERCONDUCTORS; ANGULAR-DEPENDENCE; SINGLE-CRYSTALS; RESONANT MODES; VORTICES; LATTICE; MOTION; FLOW; LINE AB Josephson vortices in naturally stacked Bi2Sr2CaCu2O8+delta tunneling junctions display rich dynamic behavior that derives from the coexistence of three basic states: static Josephson vortex lattice, coherently moving lattice, and incoherent quasiparticle tunneling state. The rich structure of hysteretic branches observed in the current-voltage characteristics can be understood as combinatorial combinations of these three states which are realized in different junctions and evolve separately with magnetic field and bias current. In particular, the multiple Josephson vortex flow branches at low-bias currents arise from the individual depinning of Josephson vortex rows in each junction. Copyright (C) EPLA, 2009 C1 [Jin, Yong-Duk; Lee, Hu-Jong; Lee, Gil-Ho] Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea. [Koshelev, A. E.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Bae, Myung-Ho] Univ Illinois, Dept Elect & Comp Engn, Micro & Natotechnol Lab, Urbana, IL 61801 USA. RP Jin, YD (reprint author), Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea. EM hjlee@postech.ac.kr RI Koshelev, Alexei/K-3971-2013; Lee, Gil-Ho/I-4817-2015 OI Koshelev, Alexei/0000-0002-1167-5906; Lee, Gil-Ho/0000-0002-7619-8979 FU Korea Science and Engineering Foundation [R17-2008-007-01001-0]; U. S. DoE Office of Science [DE-AC02-06CH11357] FX HJL acknowledges the valuable discussion with M. Machida. We appreciate U. WELP for critical reading and valuable suggestions. This work was supported by the Acceleration Research Grant (No. R17-2008-007-01001-0) administered by the Korea Science and Engineering Foundation. Work in Argonne was supported by U. S. DoE Office of Science under Contract No. DE-AC02-06CH11357. NR 36 TC 5 Z9 5 U1 0 U2 1 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD OCT PY 2009 VL 88 IS 2 AR 27007 DI 10.1209/0295-5075/88/27007 PG 6 WC Physics, Multidisciplinary SC Physics GA 521YX UT WOS:000271963700031 ER PT J AU Shi, M Bendounan, A Razzoli, E Rosenkranz, S Norman, MR Campuzano, JC Chang, J Mansson, M Sassa, Y Claesson, T Tjernberg, O Patthey, L Momono, N Oda, M Ido, M Guerrero, S Mudry, C Mesot, J AF Shi, M. Bendounan, A. Razzoli, E. Rosenkranz, S. Norman, M. R. Campuzano, J. C. Chang, J. Mansson, M. Sassa, Y. Claesson, T. Tjernberg, O. Patthey, L. Momono, N. Oda, M. Ido, M. Guerrero, S. Mudry, C. Mesot, J. TI Spectroscopic evidence for preformed Cooper pairs in the pseudogap phase of cuprates SO EPL LA English DT Article ID HIGH-T-C; UNDERDOPED BI2212; NORMAL-STATE; SUPERCONDUCTORS; GAP; BI2SR2CACU2O8+DELTA AB Angle-resolved photoemission on underdoped La(1.895)Sr(0.105)CuO(4) reveals that in the pseudogap phase, the dispersion has two branches located above and below the Fermi level with a minimum at the Fermi momentum. This is characteristic of the Bogoliubov dispersion in the superconducting state. We also observe that the superconducting and pseudogaps have the same d-wave form with the same amplitude. Our observations provide direct evidence for preformed Cooper pairs, implying that the pseudogap phase is a precursor to superconductivity. Copyright (C) EPLA, 2009 C1 [Shi, M.; Razzoli, E.] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. [Bendounan, A.; Chang, J.; Sassa, Y.; Mesot, J.] ETH, Paul Scherrer Inst, CH-5232 Villigen, Switzerland. [Bendounan, A.; Chang, J.; Sassa, Y.; Mesot, J.] EPF Lausanne, CH-5232 Villigen, Switzerland. [Rosenkranz, S.; Norman, M. R.; Campuzano, J. C.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Campuzano, J. C.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [Mansson, M.] ETH, Neutron Scattering Lab, CH-5232 Villigen, Switzerland. [Mansson, M.; Claesson, T.; Tjernberg, O.] Royal Inst Technol KTH, S-16440 Kista, Sweden. [Momono, N.; Oda, M.; Ido, M.] Hokkaido Univ, Dept Phys, Sapporo, Hokkaido 0600810, Japan. [Guerrero, S.; Mudry, C.] Paul Scherrer Inst, Condensed Matter Theory Grp, CH-5232 Villigen, Switzerland. RP Shi, M (reprint author), Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. EM ming.shi@psi.ch RI Rosenkranz, Stephan/E-4672-2011; Norman, Michael/C-3644-2013; Mansson, Martin/C-1134-2014; Chang, Johan/F-1506-2014; Mudry, Christopher/M-5587-2014; Sassa, Yasmine/F-3362-2017; OI Rosenkranz, Stephan/0000-0002-5659-0383; Mansson, Martin/0000-0002-3086-9642; Chang, Johan/0000-0002-4655-1516; Mudry, Christopher/0000-0003-4074-6758; Tjernberg, Oscar/0000-0001-8669-6886 FU Swiss National Science Foundation [200020-105151]; Ministry of Education and Science of Japan; Swedish Research Council; U. S. DOE, Office of Science [DE-AC02-06CH11357]; NSF [DMR-0606255] FX This work was supported by the Swiss National Science Foundation (through NCCR, MaNEP, and grant No. 200020-105151), the Ministry of Education and Science of Japan, the Swedish Research Council, the U. S. DOE, Office of Science, under Contract No. DE-AC02-06CH11357, and by NSF DMR-0606255. We thank the beamline staff of X09LA at the SLS for their excellent support. NR 22 TC 18 Z9 18 U1 0 U2 10 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD OCT PY 2009 VL 88 IS 2 AR 27008 DI 10.1209/0295-5075/88/27008 PG 5 WC Physics, Multidisciplinary SC Physics GA 521YX UT WOS:000271963700032 ER PT J AU Sorathia, S Izrailev, FM Celardo, GL Zelevinsky, VG Berman, GP AF Sorathia, S. Izrailev, F. M. Celardo, G. L. Zelevinsky, V. G. Berman, G. P. TI Internal chaos in an open quantum system: From Ericson to conductance fluctuations SO EPL LA English DT Article ID COMPOUND-NUCLEUS SCATTERING; CONTINUUM SHELL-MODEL; RANDOM MATRICES; TRANSMISSION; SPECTRUM; PHYSICS; STATES AB The model of an open Fermi system is used for studying the interplay of intrinsic chaos and irreversible decay into open continuum channels. Two versions of the model are characterized by one-body chaos coming from disorder or by many-body chaos due to the inter-particle interactions. The continuum coupling is described by the effective non-Hermitian Hamiltonian. Our main interest is in specific correlations of cross-sections for various channels in dependence on the coupling strength and degree of internal chaos. The results are generic and refer to common features of various mesoscopic objects including conductance fluctuations and resonance nuclear reactions. Copyright (C) EPLA, 2009 C1 [Sorathia, S.; Izrailev, F. M.] Univ Autonoma Puebla, Inst Fis, Puebla 72570, Mexico. [Izrailev, F. M.; Zelevinsky, V. G.] Michigan State Univ, NSCL, E Lansing, MI 48824 USA. [Izrailev, F. M.; Zelevinsky, V. G.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Celardo, G. L.] Tulane Univ, Dept Phys, New Orleans, LA 70118 USA. [Berman, G. P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Berman, G. P.] Los Alamos Natl Lab, CNLS, Los Alamos, NM 87545 USA. RP Sorathia, S (reprint author), Univ Autonoma Puebla, Inst Fis, Apartado Postal J-48, Puebla 72570, Mexico. EM felix.izrailev@gmail.com RI celardo, giuseppe/J-3629-2015 OI celardo, giuseppe/0000-0002-3679-1954 FU NSF [PHY-0758099]; Leverhulme Trust; U. S. Department of Energy at Los Alamos National Laboratory [DEAC52-06NA25396]; CONACyT [80715] FX We gratefully acknowledge stimulating discussions with Y. Alhassid, B. L. Altshuler, P. Mello, A. Richter and H. WEIDENMULLER. FMI and VGZ thank the INT at University of Washington for hospitality and support; VGZ and SS acknowledge support from the NSF grant PHY-0758099 and The Leverhulme Trust, respectively. The work of GPB was carried out under the auspices of the National Nuclear Security Administration of the U. S. Department of Energy at Los Alamos National Laboratory under Contract No. DEAC52-06NA25396. The work of FMI was partly supported by CONACyT grant No. 80715. NR 33 TC 15 Z9 15 U1 1 U2 3 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 EI 1286-4854 J9 EPL-EUROPHYS LETT JI EPL PD OCT PY 2009 VL 88 IS 2 AR 27003 DI 10.1209/0295-5075/88/27003 PG 6 WC Physics, Multidisciplinary SC Physics GA 521YX UT WOS:000271963700027 ER PT J AU Du, CW Tully, M Volkow, ND Schiffer, WK Yu, M Luo, ZC Koretsky, AP Benveniste, H AF Du, Congwu Tully, Melissa Volkow, Nora D. Schiffer, Wynne K. Yu, Mei Luo, Zhongchi Koretsky, Alan P. Benveniste, Helene TI Differential effects of anesthetics on cocaine's pharmacokinetic and pharmacodynamic effects in brain SO EUROPEAN JOURNAL OF NEUROSCIENCE LA English DT Article DE brain imaging; cerebral blood flow; cerebral blood volume and hemoglobin oxygenation of tissue; cocaine and anesthesia; pharmacodynamic; pharmacokinetics of cocaine ID CEREBRAL-BLOOD-FLOW; RAT SOMATOSENSORY CORTEX; OPTICAL COHERENCE TOMOGRAPHY; FUNCTIONAL ACTIVATION; DOPAMINE TRANSPORTER; HEMODYNAMIC-CHANGES; OXYGEN-CONSUMPTION; ALPHA-CHLORALOSE; BARREL CORTEX; BINDING-SITES AB Most studies of the effect of cocaine on brain activity in laboratory animals are preformed under anesthesia, which could potentially affect the physiological responses to cocaine. Here we assessed the effects of two commonly used anesthetics [alpha-chloralose (alpha-CHLOR) and isofluorane (ISO)] on the effects of acute cocaine (1 mg/kg i.v.) on cerebral blood flow (CBF), cerebral blood volume (CBV), and tissue hemoglobin oxygenation (S(t)O(2)) using optical techniques and cocaine's pharmacokinetics (PK) and binding in the rat brain using (PET) and [11C]cocaine. We showed that acute cocaine at a dose abused by cocaine abusers decreased CBF, CBV and S(t)O(2) in rats anesthetized with ISO, whereas it increased these parameters in rats anesthetized with alpha-CHLOR. Importantly, in ISO-anesthetized animals cocaine-induced changes in CBF and S(t)O(2) were coupled, whereas for alpha-CHLOR these measures were uncoupled. Moreover, the clearance of [11C]cocaine from the brain was faster for ISO (peak half-clearance 15.8 +/- 2.8 min) than for alpha-CHLOR (27.5 +/- 0.6 min), and the ratio of specific to non-specific binding of [11C]cocaine in the brain was higher for ISO- (3.37 +/- 0.32) than for alpha-CHLOR-anesthetized rats (2.24 +/- 0.4). For both anesthetics, cocaine-induced changes in CBF followed the fast uptake of [11C]cocaine in the brain (peaking at similar to 2.5-4 min), but only for ISO did the duration of the CBV and S(t)O(2) changes correspond to the rate of [11C]cocaine's clearance from the brain. These results demonstrate that anesthetics influence cocaine's hemodynamic and metabolic changes in the brain, and its binding and PK, which highlights the need to better understand the interactions between anesthetics and pharmacological challenges in brain functional imaging studies. C1 [Du, Congwu; Benveniste, Helene] SUNY Stony Brook, Dept Anesthesiol, Stony Brook, NY 11794 USA. [Du, Congwu; Schiffer, Wynne K.; Yu, Mei; Luo, Zhongchi; Benveniste, Helene] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Tully, Melissa; Luo, Zhongchi] SUNY Stony Brook, Dept Biomed Engn, Stony Brook, NY 11794 USA. [Volkow, Nora D.] Natl Inst Drug Abuse, NIH, Bethesda, MD USA. [Koretsky, Alan P.] NIH, Lab Funct & Mol Imaging, Bethesda, MD 20892 USA. RP Du, CW (reprint author), SUNY Stony Brook, Dept Anesthesiol, Stony Brook, NY 11794 USA. EM congwu@bnl.gov RI Koretsky, Alan/C-7940-2015 OI Koretsky, Alan/0000-0002-8085-4756 FU NIH [1K25DA021200]; NYSTAR; Department of Energy [DE-AC02-98CH10886] FX This work was supported in part by NIH (1K25DA021200) and NYSTAR. The experiments were conducted in Brookhaven National Laboratory supported by Department of Energy (Contract DE-AC02-98CH10886). The authors thank Yingtain Pan, Jim Ma and Mario Rebecchi for valuable discussions, and David Smith for assistance on the physiological monitoring. NR 46 TC 17 Z9 17 U1 0 U2 2 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0953-816X J9 EUR J NEUROSCI JI Eur. J. Neurosci. PD OCT PY 2009 VL 30 IS 8 BP 1565 EP 1575 DI 10.1111/j.1460-9568.2009.06931.x PG 11 WC Neurosciences SC Neurosciences & Neurology GA 508TH UT WOS:000270958700015 PM 19821842 ER PT J AU Dong, S Yu, R Yunoki, S Liu, JM Dagotto, E AF Dong, S. Yu, R. Yunoki, S. Liu, J. -M. Dagotto, E. TI Double-exchange model study of multiferroic RMnO3 perovskites SO EUROPEAN PHYSICAL JOURNAL B LA English DT Article ID POLARIZATION AB In this proceeding, recent theoretical investigations by the authors on the multiferroic RMnO3 perovskites are briefly reviewed at first. Using the double-exchange model, the realistic spiral spin order in undoped manganites such as TbMnO3 and DyMnO3 is well reproduced by incorporating a weak next-nearest neighbor superexchange (similar to 10% of nearest neighbor superexchange) and moderate Jahn-Teller distortion. The phase transitions from the A-type antiferromagnet (as in LaMnO3), to the spiral phase (as in TbMnO3), and finally to the E-type antiferromagnet (as in HoMnO3), with decreasing size of the R ions, were also explained. Moreover, new results of phase diagram of the three-dimensional lattice are also included. The ferromagnetic tendency recently discovered in the LaMnO3 and TbMnO3 thin films is explained by considering the substrate stress. Finally, the relationship between our double-exchange model and a previously used J(1)-J(2)-J(3) model is further discussed from the perspective of spin wave excitations. C1 [Dong, S.; Yu, R.; Dagotto, E.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Dong, S.; Yu, R.; Dagotto, E.] Mat Sci & Technol Div, Oak Ridge Natl Lab, Oak Ridge, TN 38231 USA. [Dong, S.; Liu, J. -M.] Nanjing Univ, Nanjing Natl Lab Microstruct, Nanjing 210093, Peoples R China. [Yunoki, S.] RIKEN, Computat Condensed Matter Phys Lab, Wako, Saitama 3510198, Japan. [Yunoki, S.] Japan Sci & Technol Agcy, CREST, Kawaguchi, Saitama 3320012, Japan. [Liu, J. -M.] Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China. RP Dong, S (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM saintdosnju@gmail.com RI YU, RONG/C-1506-2012; Yunoki, Seiji/B-1831-2008; Yu, Rong/K-5854-2012; Dong (董), Shuai (帅)/A-5513-2008; Yu, Rong/H-3355-2016 OI Dong (董), Shuai (帅)/0000-0002-6910-6319; FU NSF [DMR-0706020]; Division of Materials Science and Engineering, U.S. DOE; National Key Projects for Basic Research of China [2006CB921802, 2009CB929501]; National Natural Science Foundation of China [50832002]; CREST-JST; China Scholarship Council FX This work was supported by the NSF (DMR-0706020) and the Division of Materials Science and Engineering, U.S. DOE, under contract with UT-Battelle, LLC. J.M.L. was supported by the National Key Projects for Basic Research of China (2006CB921802 and 2009CB929501) and the National Natural Science Foundation of China ( 50832002). S. Y. was supported by CREST-JST. S. D. was also supported by the China Scholarship Council. NR 39 TC 9 Z9 10 U1 3 U2 25 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6028 J9 EUR PHYS J B JI Eur. Phys. J. B PD OCT PY 2009 VL 71 IS 3 BP 339 EP 344 DI 10.1140/epjb/e2009-00225-1 PG 6 WC Physics, Condensed Matter SC Physics GA 509PD UT WOS:000271029200006 ER PT J AU Zimmermann, AS Van Aken, BB Schmid, H Rivera, JP Li, J Vaknin, D Fiebig, M AF Zimmermann, A. S. Van Aken, B. B. Schmid, H. Rivera, J. -P. Li, J. Vaknin, D. Fiebig, M. TI Anisotropy of antiferromagnetic 180A degrees domains in magnetoelectric LiMPO4 (M = Fe, Co, Ni) SO EUROPEAN PHYSICAL JOURNAL B LA English DT Article ID WEAK FERROMAGNETISM; LINIPO4; LICOPO4 AB An unusual variety of magnetic, magnetoelectric and ferrotoroidic properties was observed in the lithium-orthophosphates LiMPO4 with M = Fe, Co, Ni by optical second harmonic generation. In spite of a largely similar magnetic and crystallographic structure the compounds exhibit pronounced differences in the topology of antiferromagnetic 180A degrees domains. In LiCoPO4 the antiferromagnetic domains coexist with ferrotoroidic, i.e., magnetic vortex domains. For LiNiPO4 it was shown that the weak ferrimagnetic moment of the LiMPO4 compounds along the spin direction is rigidly coupled to the AFM order parameter so that the sign of the magnetoelectric effect is reversed by a magnetic field only. Further effects of a static magnetic field on the system are discussed. C1 [Zimmermann, A. S.; Van Aken, B. B.; Fiebig, M.] Univ Bonn, HISKP, D-53115 Bonn, Germany. [Schmid, H.; Rivera, J. -P.] Univ Geneva, Dept Inorgan Analyt & Appl Chem, CH-1211 Geneva 4, Switzerland. [Li, J.; Vaknin, D.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Li, J.; Vaknin, D.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Zimmermann, AS (reprint author), Univ Bonn, HISKP, Nussallee 14-16, D-53115 Bonn, Germany. EM zimmermann@hiskp.uni-bonn.de RI van Aken, Bas/C-6673-2008; Vaknin, David/B-3302-2009 OI Vaknin, David/0000-0002-0899-9248 FU U.S. Department of Energy [DE-AC02-07CH11358] FX The authors thank the SFB 608 of the DFG and the EU-STREP MaCoMuFi for financial support. Work in Ames Laboratory is supported by the U.S. Department of Energy under Contract No. DE-AC02-07CH11358. NR 24 TC 15 Z9 15 U1 0 U2 22 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6028 J9 EUR PHYS J B JI Eur. Phys. J. B PD OCT PY 2009 VL 71 IS 3 BP 355 EP 360 DI 10.1140/epjb/e2009-00223-3 PG 6 WC Physics, Condensed Matter SC Physics GA 509PD UT WOS:000271029200009 ER PT J AU Chekanov, S Derrick, M Magill, S Musgrave, B Nicholass, D Repond, J Yoshida, R Mattingly, MCK Antonioli, P Bari, G Bellagamba, L Boscherini, D Bruni, A Bruni, G Cindolo, F Corradi, M Iacobucci, G Margotti, A Nania, R Polini, A Antonelli, S Basile, M Bindi, M Cifarelli, L Contin, A De Pasquale, S Sartorelli, G Zichichi, A Bartsch, D Brock, I Hartmann, H Hilger, E Jakob, HP Jungst, M Nuncio-Quiroz, AE Paul, E Samson, U Schonberg, V Shehzadi, R Wlasenko, M Brook, NH Heath, GP Morris, JD Kaur, M Kaur, P Singh, I Capua, M Fazio, S Mastroberardino, A Schioppa, M Susinno, G Tassi, E Kim, JY Ibrahim, ZA Idris, FM Kamaluddin, B Abdullah, WATW Ning, Y Ren, Z Sciulli, F Chwastowski, J Eskreys, A Figiel, J Galas, A Olkiewicz, K Pawlik, B Stopa, P Zawiejski, L Adamczyk, L Bold, T Grabowska-Bold, I Kisielewska, D Lukasik, J Przybycien, M Suszycki, L Kotanski, A Slominski, W Behnke, O Behrens, U Blohm, C Bonato, A Borras, K Bot, D Ciesielski, R Coppola, N Fang, S Fourletova, J Geiser, A Gottlicher, P Grebenyuk, J Gregor, I Haas, T Hain, W Huttmann, A Januschek, F Kahle, B Katkov, II Klein, U Kotz, U Kowalski, H Lisovyi, M Lobodzinska, E Lohr, B Mankel, R Melzer-Pellmann, IA Miglioranzi, S Montanari, A Namsoo, T Notz, D Parenti, A Rinaldi, L Roloff, P Rubinsky, I Schneekloth, U Spiridonov, A Szuba, D Szuba, J Theedt, T Ukleja, J Wolf, G Wrona, K Molina, AGY Youngman, C Zeuner, W Drugakov, V Lohmann, W Schlenstedt, S Barbagli, G Gallo, E Pelfer, PG Bamberger, A Dobur, D Karstens, F Vlasov, NN Bussey, PJ Doyle, AT Dunne, W Forrest, M Rosin, M Saxon, DH Skillicorn, IO Gialas, I Papageorgiu, K Holm, U Klanner, R Lohrmann, E Perrey, H Schleper, P Schorner-Sadenius, T Sztuk, J Stadie, H Turcato, M Foudas, C Fry, C Long, KR Tapper, AD Matsumoto, T Nagano, K Tokushuku, K Yamada, S Yamazaki, Y Barakbaev, AN Boos, EG Pokrovskiy, NS Zhautykov, BO Aushev, V Bachynska, O Borodin, M Kadenko, I Kozulia, A Libov, V Lontkovskyi, D Makarenko, I Sorokin, I Verbytskyi, A Volynets, O Son, D de Favereau, J Piotrzkowski, K Barreiro, F Glasman, C Jimenez, M Labarga, L del Peso, J Ron, E Soares, M Terron, J Uribe-Estrada, C Zambrana, M Corriveau, F Liu, C Schwartz, J Walsh, R Zhou, C Tsurugai, T Antonov, A Dolgoshein, BA Gladkov, D Sosnovtsev, V Stifutkin, A Suchkov, S Dementiev, RK Ermolov, PF Gladilin, LK Golubkov, YA Khein, LA Korzhavina, IA Kuzmin, VA Levchenko, BB Lukina, OY Proskuryakov, AS Shcheglova, LM Zotkin, DS Abt, I Caldwell, A Kollar, D Reisert, B Schmidke, WB Grigorescu, G Keramidas, A Koffeman, E Kooijman, P Pellegrino, A Tiecke, H Vazquez, M Wiggers, L Brummer, N Bylsma, B Durkin, LS Lee, A Ling, TY Allfrey, PD Bell, MA Cooper-Sarkar, AM Devenish, RCE Ferrando, J Foster, B Gwenlan, C Horton, K Oliver, K Robertson, A Walczak, R Bertolin, A Dal Corso, F Dusini, S Longhin, A Stanco, L Bellan, P Brugnera, R Carlin, R Garfagnini, A Limentani, S Oh, BY Raval, A Whitmore, JJ Iga, Y D'Agostini, G Marini, G Nigro, A Cole, JE Hart, JC Abramowicz, H Ingbir, R Kananov, S Levy, A Stern, A Kuze, M Maeda, J Hori, R Kagawa, S Okazaki, N Shimizu, S Tawara, T Hamatsu, R Kaji, H Kitamura, S Ota, O Ri, YD Costa, M Ferrero, MI Monaco, V Sacchi, R Sola, V Solano, A Arneodo, M Ruspa, M Fourletov, S Martin, JF Stewart, TP Boutle, SK Butterworth, M Jones, TW Loizides, JH Wing, M Brzozowska, B Ciborowski, J Grzelak, G Kulinski, P Luzniak, P Malka, J Nowak, RJ Pawlak, JM Perlanski, W Tymieniecka, T Zarnecki, AF Adamus, M Plucinski, P Ukleja, A Eisenberg, Y Hochman, D Karshon, U Brownson, E Reeder, DD Savin, AA Smith, WH Wolfe, H Bhadra, S Catterall, CD Cui, Y Hartner, G Menary, S Noor, U Standage, J Whyte, J AF Chekanov, S. Derrick, M. Magill, S. Musgrave, B. Nicholass, D. Repond, J. Yoshida, R. Mattingly, M. C. K. Antonioli, P. Bari, G. Bellagamba, L. Boscherini, D. Bruni, A. Bruni, G. Cindolo, F. Corradi, M. Iacobucci, G. Margotti, A. Nania, R. Polini, A. Antonelli, S. Basile, M. Bindi, M. Cifarelli, L. Contin, A. De Pasquale, S. Sartorelli, G. Zichichi, A. Bartsch, D. Brock, I. Hartmann, H. Hilger, E. Jakob, H. -P. Juengst, M. Nuncio-Quiroz, A. E. Paul, E. Samson, U. Schoenberg, V. Shehzadi, R. Wlasenko, M. Brook, N. H. Heath, G. P. Morris, J. D. Kaur, M. Kaur, P. Singh, I. Capua, M. Fazio, S. Mastroberardino, A. Schioppa, M. Susinno, G. Tassi, E. Kim, J. Y. Ibrahim, Z. A. Idris, F. Mohamad Kamaluddin, B. Abdullah, W. A. T. Wan Ning, Y. Ren, Z. Sciulli, F. Chwastowski, J. Eskreys, A. Figiel, J. Galas, A. Olkiewicz, K. Pawlik, B. Stopa, P. Zawiejski, L. Adamczyk, L. Bold, T. Grabowska-Bold, I. Kisielewska, D. Lukasik, J. Przybycien, M. Suszycki, L. Kotanski, A. Slominski, W. Behnke, O. Behrens, U. Blohm, C. Bonato, A. Borras, K. Bot, D. Ciesielski, R. Coppola, N. Fang, S. Fourletova, J. Geiser, A. Goettlicher, P. Grebenyuk, J. Gregor, I. Haas, T. Hain, W. Huettmann, A. Januschek, F. Kahle, B. Katkov, I. I. Klein, U. Koetz, U. Kowalski, H. Lisovyi, M. Lobodzinska, E. Loehr, B. Mankel, R. Melzer-Pellmann, I. -A. Miglioranzi, S. Montanari, A. Namsoo, T. Notz, D. Parenti, A. Rinaldi, L. Roloff, P. Rubinsky, I. Schneekloth, U. Spiridonov, A. Szuba, D. Szuba, J. Theedt, T. Ukleja, J. Wolf, G. Wrona, K. Molina, A. G. Yaguees Youngman, C. Zeuner, W. Drugakov, V. Lohmann, W. Schlenstedt, S. Barbagli, G. Gallo, E. Pelfer, P. G. Bamberger, A. Dobur, D. Karstens, F. Vlasov, N. N. Bussey, P. J. Doyle, A. T. Dunne, W. Forrest, M. Rosin, M. Saxon, D. H. Skillicorn, I. O. Gialas, I. Papageorgiu, K. Holm, U. Klanner, R. Lohrmann, E. Perrey, H. Schleper, P. Schoerner-Sadenius, T. Sztuk, J. Stadie, H. Turcato, M. Foudas, C. Fry, C. Long, K. R. Tapper, A. D. Matsumoto, T. Nagano, K. Tokushuku, K. Yamada, S. Yamazaki, Y. Barakbaev, A. N. Boos, E. G. Pokrovskiy, N. S. Zhautykov, B. O. Aushev, V. Bachynska, O. Borodin, M. Kadenko, I. Kozulia, A. Libov, V. Lontkovskyi, D. Makarenko, I. Sorokin, I. Verbytskyi, A. Volynets, O. Son, D. de Favereau, J. Piotrzkowski, K. Barreiro, F. Glasman, C. Jimenez, M. Labarga, L. del Peso, J. Ron, E. Soares, M. Terron, J. Uribe-Estrada, C. Zambrana, M. Corriveau, F. Liu, C. Schwartz, J. Walsh, R. Zhou, C. Tsurugai, T. Antonov, A. Dolgoshein, B. A. Gladkov, D. Sosnovtsev, V. Stifutkin, A. Suchkov, S. Dementiev, R. K. Ermolov, P. F. Gladilin, L. K. Golubkov, Y. A. Khein, L. A. Korzhavina, I. A. Kuzmin, V. A. Levchenko, B. B. Lukina, O. Y. Proskuryakov, A. S. Shcheglova, L. M. Zotkin, D. S. Abt, I. Caldwell, A. Kollar, D. Reisert, B. Schmidke, W. B. Grigorescu, G. Keramidas, A. Koffeman, E. Kooijman, P. Pellegrino, A. Tiecke, H. Vazquez, M. Wiggers, L. Bruemmer, N. Bylsma, B. Durkin, L. S. Lee, A. Ling, T. Y. Allfrey, P. D. Bell, M. A. Cooper-Sarkar, A. M. Devenish, R. C. E. Ferrando, J. Foster, B. Gwenlan, C. Horton, K. Oliver, K. Robertson, A. Walczak, R. Bertolin, A. Dal Corso, F. Dusini, S. Longhin, A. Stanco, L. Bellan, P. Brugnera, R. Carlin, R. Garfagnini, A. Limentani, S. Oh, B. Y. Raval, A. Whitmore, J. J. Iga, Y. D'Agostini, G. Marini, G. Nigro, A. Cole, J. E. Hart, J. C. Abramowicz, H. Ingbir, R. Kananov, S. Levy, A. Stern, A. Kuze, M. Maeda, J. Hori, R. Kagawa, S. Okazaki, N. Shimizu, S. Tawara, T. Hamatsu, R. Kaji, H. Kitamura, S. Ota, O. Ri, Y. D. Costa, M. Ferrero, M. I. Monaco, V. Sacchi, R. Sola, V. Solano, A. Arneodo, M. Ruspa, M. Fourletov, S. Martin, J. F. Stewart, T. P. Boutle, S. K. Butterworth, M. Jones, T. W. Loizides, J. H. Wing, M. Brzozowska, B. Ciborowski, J. Grzelak, G. Kulinski, P. Luzniak, P. Malka, J. Nowak, R. J. Pawlak, J. M. Perlanski, W. Tymieniecka, T. Zarnecki, A. F. Adamus, M. Plucinski, P. Ukleja, A. Eisenberg, Y. Hochman, D. Karshon, U. Brownson, E. Reeder, D. D. Savin, A. A. Smith, W. H. Wolfe, H. Bhadra, S. Catterall, C. D. Cui, Y. Hartner, G. Menary, S. Noor, U. Standage, J. Whyte, J. CA ZEUS Collaboration TI Subjet distributions in deep inelastic scattering at HERA SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID JET CROSS-SECTIONS; CENTRAL TRACKING DETECTOR; PHYSICS EVENT GENERATION; ZEUS BARREL CALORIMETER; MONTE-CARLO GENERATOR; COLOR DIPOLE MODEL; INCLUSIVE-JET; DIJET PRODUCTION; HIGH Q(2); HADRON-COLLISIONS AB Subjet distributions were measured in neutral current deep inelastic ep scattering with the ZEUS detector at HERA using an integrated luminosity of 81.7 pb(-1). Jets were identified using the k(T) cluster algorithm in the laboratory frame. Subjets were defined as jet-like substructures identified by a reapplication of the cluster algorithm at a smaller value of the resolution parameter y(cut). Measurements of subjet distributions for jets with exactly two subjets for y(cut) = 0.05 are presented as functions of observables sensitive to the pattern of parton radiation and to the colour coherence between the initial and final states. Perturbative QCD predictions give an adequate description of the data. C1 [Chekanov, S.; Derrick, M.; Magill, S.; Musgrave, B.; Nicholass, D.; Repond, J.; Yoshida, R.; Klein, U.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Mattingly, M. C. K.] Andrews Univ, Berrien Springs, MI 49104 USA. [Antonioli, P.; Bari, G.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Cindolo, F.; Corradi, M.; Iacobucci, G.; Margotti, A.; Nania, R.; Polini, A.; Antonelli, S.; Basile, M.; Bindi, M.; Cifarelli, L.; Contin, A.; De Pasquale, S.; Sartorelli, G.; Zichichi, A.] Ist Nazl Fis Nucl, I-40126 Bologna, Italy. [Antonelli, S.; Basile, M.; Bindi, M.; Cifarelli, L.; Contin, A.; De Pasquale, S.; Sartorelli, G.; Zichichi, A.] Univ Bologna, Bologna, Italy. [Bartsch, D.; Brock, I.; Hartmann, H.; Hilger, E.; Jakob, H. -P.; Juengst, M.; Nuncio-Quiroz, A. E.; Paul, E.; Samson, U.; Schoenberg, V.; Shehzadi, R.; Wlasenko, M.] Univ Bonn, Inst Phys, D-5300 Bonn, Germany. [Brook, N. H.; Heath, G. P.; Morris, J. D.] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. [Kaur, M.; Kaur, P.; Singh, I.] Panjab Univ, Dept Phys, Chandigarh 160014, India. [Capua, M.; Fazio, S.; Mastroberardino, A.; Schioppa, M.; Susinno, G.; Tassi, E.] Univ Calabria, Dept Phys, I-87036 Cosenza, Italy. [Capua, M.; Fazio, S.; Mastroberardino, A.; Schioppa, M.; Susinno, G.; Tassi, E.] Univ Calabria, Ist Nazl Fis Nucl, I-87036 Cosenza, Italy. [Kim, J. Y.] Chonnam Natl Univ, Kwangju, South Korea. [Ibrahim, Z. A.; Idris, F. Mohamad; Kamaluddin, B.; Abdullah, W. A. T. Wan] Univ Malaya, Kuala Lumpur 50603, Malaysia. [Ning, Y.; Ren, Z.; Sciulli, F.] Columbia Univ, Nevis Labs, Hudson, NY 10027 USA. [Chwastowski, J.; Eskreys, A.; Figiel, J.; Galas, A.; Olkiewicz, K.; Pawlik, B.; Stopa, P.; Zawiejski, L.] Polish Acad Sci, Henryk Niewodniczanski Inst Nucl Phys, Krakow, Poland. [Adamczyk, L.; Bold, T.; Grabowska-Bold, I.; Kisielewska, D.; Lukasik, J.; Przybycien, M.; Suszycki, L.] AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, Krakow, Poland. [Kotanski, A.; Slominski, W.] Jagiellonian Univ, Dept Phys, Krakow, Poland. [Behnke, O.; Behrens, U.; Blohm, C.; Bonato, A.; Borras, K.; Bot, D.; Ciesielski, R.; Coppola, N.; Fang, S.; Fourletova, J.; Geiser, A.; Goettlicher, P.; Grebenyuk, J.; Gregor, I.; Haas, T.; Hain, W.; Huettmann, A.; Januschek, F.; Kahle, B.; Katkov, I. I.; Klein, U.; Koetz, U.; Kowalski, H.; Lisovyi, M.; Lobodzinska, E.; Loehr, B.; Mankel, R.; Melzer-Pellmann, I. -A.; Miglioranzi, S.; Montanari, A.; Namsoo, T.; Notz, D.; Parenti, A.; Rinaldi, L.; Roloff, P.; Rubinsky, I.; Schneekloth, U.; Spiridonov, A.; Szuba, D.; Szuba, J.; Theedt, T.; Ukleja, J.; Wolf, G.; Wrona, K.; Molina, A. G. Yaguees; Youngman, C.; Zeuner, W.] DESY, D-2000 Hamburg, Germany. [Drugakov, V.; Lohmann, W.; Schlenstedt, S.] DESY, Zeuthen, Germany. [Pelfer, P. G.; Bamberger, A.] Univ Florence, Florence, Italy. [Barbagli, G.; Gallo, E.; Pelfer, P. G.; Bamberger, A.] Ist Nazl Fis Nucl, I-50125 Florence, Italy. [Dobur, D.; Karstens, F.; Vlasov, N. N.] Univ Freiburg, Fak Phys, Freiburg, Germany. [Bussey, P. J.; Doyle, A. T.; Dunne, W.; Forrest, M.; Rosin, M.; Saxon, D. H.; Skillicorn, I. O.] Univ Glasgow, Dept Phys & Astron, Glasgow, Lanark, Scotland. [Gialas, I.; Papageorgiu, K.] Univ Aegean, Dept Engn Management & Finance, Mitilini, Greece. 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[Hori, R.; Kagawa, S.; Okazaki, N.; Shimizu, S.; Tawara, T.] Univ Tokyo, Dept Phys, Tokyo 113, Japan. [Hamatsu, R.; Kaji, H.; Kitamura, S.; Ota, O.; Ri, Y. D.] Tokyo Metropolitan Univ, Dept Phys, Tokyo, Japan. [Costa, M.; Ferrero, M. I.; Monaco, V.; Sacchi, R.; Sola, V.; Solano, A.] Univ Turin, Turin, Italy. [Costa, M.; Ferrero, M. I.; Monaco, V.; Sacchi, R.; Sola, V.; Solano, A.; Arneodo, M.; Ruspa, M.] Ist Nazl Fis Nucl, I-10125 Turin, Italy. [Fourletov, S.; Martin, J. F.; Stewart, T. P.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [Boutle, S. K.; Butterworth, M.; Jones, T. W.; Loizides, J. H.; Wing, M.] UCL, Dept Phys & Astron, London, England. [Brzozowska, B.; Ciborowski, J.; Grzelak, G.; Kulinski, P.; Luzniak, P.; Malka, J.; Nowak, R. J.; Pawlak, J. M.; Perlanski, W.; Tymieniecka, T.; Zarnecki, A. F.] Warsaw Univ, Inst Expt Phys, Warsaw, Poland. [Adamus, M.; Plucinski, P.; Ukleja, A.] Inst Nucl Studies, PL-00681 Warsaw, Poland. [Eisenberg, Y.; Hochman, D.; Karshon, U.] Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. [Brownson, E.; Reeder, D. D.; Savin, A. A.; Smith, W. H.; Wolfe, H.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Bhadra, S.; Catterall, C. D.; Cui, Y.; Hartner, G.; Menary, S.; Noor, U.; Standage, J.; Whyte, J.] York Univ, Dept Phys, Toronto, ON M3J 1P3, Canada. [Kaur, P.; Singh, I.] Max Planck Inst, Munich, Germany. [Spiridonov, A.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Szuba, D.] INP, Krakow, Poland. [Szuba, J.] AGH Univ Sci & Technol, FPACS, Krakow, Poland. [Gialas, I.; Boutle, S. K.] DESY, Hamburg, Germany. [Wing, M.] Univ Hamburg, Inst Exp Phys, Hamburg, Germany. [Ciborowski, J.] Univ Lodz, PL-90131 Lodz, Poland. [Tymieniecka, T.] Univ Podlasie, Siedlce, Poland. [Arneodo, M.; Ruspa, M.] Univ Piemonte Orientale, Novara, Italy. RP Chekanov, S (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM tobias.haas@desy.de RI Tassi, Enrico/K-3958-2015; Suchkov, Sergey/M-6671-2015; De Pasquale, Salvatore/B-9165-2008; dusini, stefano/J-3686-2012; Capua, Marcella/A-8549-2015; Levchenko, B./D-9752-2012; Proskuryakov, Alexander/J-6166-2012; Dementiev, Roman/K-7201-2012; WAN ABDULLAH, WAN AHMAD TAJUDDIN/B-5439-2010; Korzhavina, Irina/D-6848-2012; Wiggers, Leo/B-5218-2015; Doyle, Anthony/C-5889-2009; IBRAHIM, ZAINOL ABIDIN/C-1121-2010; Fazio, Salvatore /G-5156-2010; Ferrando, James/A-9192-2012; Gladilin, Leonid/B-5226-2011 OI De Pasquale, Salvatore/0000-0001-9236-0748; dusini, stefano/0000-0002-1128-0664; Capua, Marcella/0000-0002-2443-6525; Arneodo, Michele/0000-0002-7790-7132; Longhin, Andrea/0000-0001-9103-9936; Raval, Amita/0000-0003-0164-4337; Wiggers, Leo/0000-0003-1060-0520; Doyle, Anthony/0000-0001-6322-6195; Ferrando, James/0000-0002-1007-7816; Gladilin, Leonid/0000-0001-9422-8636 NR 74 TC 6 Z9 6 U1 2 U2 11 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 EI 1434-6052 J9 EUR PHYS J C JI Eur. Phys. J. C PD OCT PY 2009 VL 63 IS 4 BP 527 EP 548 DI 10.1140/epjc/s10052-009-1090-3 PG 22 WC Physics, Particles & Fields SC Physics GA 508ZD UT WOS:000270978300002 ER PT J AU Schlegel, R Staudinger, U Thunga, M Weidisch, R Heinrich, G Uhrig, D Mays, JW Iatrou, H Hadjichristidis, N AF Schlegel, R. Staudinger, U. Thunga, M. Weidisch, R. Heinrich, G. Uhrig, D. Mays, Jimmy W. Iatrou, H. Hadjichristidis, N. TI Investigations on mechanical properties of PI-PS multigraft copolymers SO EUROPEAN POLYMER JOURNAL LA English DT Article DE Multigraft copolymers; Modelling; Deformation behaviour; Molecular architecture; Morphology ID MICROMECHANICAL DEFORMATION-BEHAVIOR; DOUBLE-GRAFT-COPOLYMERS; RUBBER ELASTICITY; MOLECULAR ARCHITECTURE; TUBE-MODEL; POLYMER NETWORKS; BRANCH-POINTS; HYSTERESIS BEHAVIOR; BLOCK-COPOLYMERS; MORPHOLOGY AB The stress-strain behaviour of multigraft copolymers consisting of a polyisoprene (PI) backbone and grafted polystyrene (PS) arms have been characterized by applying models of rubber elasticity such as Mooney-Rivlin, slip-tube and the extended non-affine tube model. Additionally, the range of low deformation has been investigated by relaxation tests for determining the stress relaxation. Multigraft copolymers show high strain at break and low residual strain caused by the large number of physical cross links resulting from several grafted PS side chains. From the model fits the material parameters G(c)(ST) and G(e)(ST) of the slip-tube model, representing the influence of chemical cross links and entanglements effects, respectively, and the n(e)/T(e)-value (n(e) - number of statistical segments between two successive entanglements, T(e) - Langley trapping factor) of the extended non-affine tube model, are used to describe the tensile behaviour of these thermoplastic elastomers. The PS content was considered as filler phase taking into account the effect of hydrodynamic amplification. The influence of functionality and the number of branch points per molecule on the strain at break and the tensile strength is explained by the model parameters describing the stress-strain curve at low to medium (<= 400%, slip-tube, Mooney-Rivlin) and low to high (<= 900%, extended non-affine tube) elongations. It was observed that for the material with a spherical morphology G(e)(ST) is increasing with the number of branch points beta (each branch point consists of a PI backbone segment, depending on the functionality one, two or four grafted PS arms). For cylindrical and lamellar morphologies the G(e)(ST) was decreasing with increasing beta, which could be reconfirmed by applying the extended non-affine tube model where the n(e)/T(e)-parameter is increasing with beta. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Schlegel, R.; Staudinger, U.; Thunga, M.; Weidisch, R.] Univ Jena, Inst Mat Sci & Technol IMT, D-07743 Jena, Germany. [Heinrich, G.] Leibniz Inst Polymer Res Dresden eV, D-01069 Dresden, Germany. [Uhrig, D.; Mays, Jimmy W.] ORNL, Ctr Nanophase Mat Sci, Knoxville, TN USA. [Mays, Jimmy W.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Iatrou, H.; Hadjichristidis, N.] Univ Athens, Dept Chem, Athens 15771, Greece. RP Weidisch, R (reprint author), Univ Jena, Inst Mat Sci & Technol IMT, Lobdergraben 32, D-07743 Jena, Germany. EM roland.weidisch@uni-jena.de RI Thunga, Mahendra/D-4638-2013; Umlauf, Ursula/D-3356-2014; Uhrig, David/A-7458-2016 OI Thunga, Mahendra/0000-0002-4856-242X; Uhrig, David/0000-0001-8447-6708 FU German Science Foundation (DFG); US Department of Energy FX The authors thank for financial support of this work within the framework of the German Science Foundation (DFG). This research was partly carried out and initiated at ORNL CNMS sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 46 TC 10 Z9 10 U1 1 U2 23 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0014-3057 J9 EUR POLYM J JI Eur. Polym. J. PD OCT PY 2009 VL 45 IS 10 BP 2902 EP 2912 DI 10.1016/j.eurpolymj.2009.06.028 PG 11 WC Polymer Science SC Polymer Science GA 536CK UT WOS:000273019600019 ER PT J AU Appella, E Anderson, CW AF Appella, Ettore Anderson, Carl W. TI Dynamic interactions of proteins in complex networks SO FEBS JOURNAL LA English DT Editorial Material C1 [Appella, Ettore] NCI, Chem Immunol Sect, Cell Biol Lab, Bethesda, MD 20892 USA. [Anderson, Carl W.] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Appella, E (reprint author), NCI, Chem Immunol Sect, Cell Biol Lab, Bethesda, MD 20892 USA. NR 0 TC 1 Z9 1 U1 0 U2 0 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1742-464X J9 FEBS J JI FEBS J. PD OCT PY 2009 VL 276 IS 19 BP 5380 EP 5380 DI 10.1111/j.1742-4658.2009.07252.x PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 499AC UT WOS:000270187500006 PM 19712105 ER PT J AU Mukundan, R Borup, RL AF Mukundan, R. Borup, R. L. TI Visualising Liquid Water in PEM Fuel Cells Using Neutron Imaging SO FUEL CELLS LA English DT Review DE Experimental Data; GDL; Imaging; Neutron Radiography; PEM fuel cell ID 2-PHASE FLOW PHENOMENA; RADIOGRAPHY; TRANSPORT; PEFC; PART; QUANTIFICATION; MEMBRANE AB In this article, we review the neutron Imaging techniques that have been used to visualise liquid water in PE;M fuel cells A list of the various facilities engaged in this research is provided and the published literature In this field reviewed Neutron imaging has been successfully used to visualise water dynamics in the flow channels of operating fuel cells. This technique has also been used to Understand water removal mechanisms and the importance of membrane hydration and GDL flooding to optimal fuel cell performance More recently this technique has been applied to imaging the water in fuel cell cross-sections in order to quantify the water contents in the different components of all operating fuel cell. Finally, this technique has also been utilised to examine ice formation during; sub-zero operation of single fuel cells With ongoing improvements in spatial and temporal resolution, neutron imaging call be expected to play a greater role in any fuel Cell development related to water transport. C1 [Mukundan, R.; Borup, R. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Mukundan, R (reprint author), Los Alamos Natl Lab, MS D429, Los Alamos, NM 87545 USA. OI Mukundan, Rangachary/0000-0002-5679-3930 NR 32 TC 34 Z9 34 U1 3 U2 14 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1615-6846 J9 FUEL CELLS JI Fuel Cells PD OCT PY 2009 VL 9 IS 5 BP 499 EP 505 DI 10.1002/fuce.200800050 PG 7 WC Electrochemistry; Energy & Fuels SC Electrochemistry; Energy & Fuels GA 510NN UT WOS:000271095700001 ER PT J AU Muldoon, J Lin, J Wycisk, R Takeuchi, N Hamaguchi, H Saito, T Hase, K Stewart, FF Pintauro, PN AF Muldoon, J. Lin, J. Wycisk, R. Takeuchi, N. Hamaguchi, H. Saito, T. Hase, K. Stewart, F. F. Pintauro, P. N. TI High Performance Fuel Cell Operation with a Non-fluorinated Polyphosphazene Electrode Binder SO FUEL CELLS LA English DT Article DE Binder; Electrodes; Fuel Cell Performance; Oxygen Permeability; Proton Conductivity; Sulphonated Polyphosphazene ID GAS-DIFFUSION ELECTRODES; MEMBRANES; PERMEABILITY; KETONE); MEAS AB Non-fluorinated sulphonated polyphosphazene (SPOP) was synthesised and characterised for utilisation as an electrode binder. Polarisation curves were obtained at 80 degrees C and 95% RH in a H(2)/air fuel cell. SPOP has the proper properties for a cathode binder in a fuel cell, as its polarisation curve traced that of Nafion (R) binder for the same operating conditions. C1 [Muldoon, J.; Takeuchi, N.] Toyota Res Inst N Amer, Ann Arbor, MI 48105 USA. [Lin, J.; Pintauro, P. N.] Vanderbilt Univ, Dept Chem & Biomol Engn, Nashville, TN 37235 USA. [Wycisk, R.] Case Western Reserve Univ, Dept Chem Engn, Cleveland, OH 44106 USA. [Hamaguchi, H.; Saito, T.; Hase, K.] Toyota Motor Co, Adv Mat Engn Div, Aichi 4718572, Japan. [Stewart, F. F.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Muldoon, J (reprint author), Toyota Res Inst N Amer, Ann Arbor, MI 48105 USA. EM john.muldoon@tema.toyota.com; peter.pintauro@vanderbilt.edu RI Lin, Jun/F-5732-2013 NR 17 TC 10 Z9 10 U1 1 U2 21 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1615-6846 J9 FUEL CELLS JI Fuel Cells PD OCT PY 2009 VL 9 IS 5 BP 518 EP 521 DI 10.1002/fuce.200900123 PG 4 WC Electrochemistry; Energy & Fuels SC Electrochemistry; Energy & Fuels GA 510NN UT WOS:000271095700003 ER PT J AU Olson, TS Blizanac, B Piela, B Davey, JR Zelenay, P Atanassov, P AF Olson, T. S. Blizanac, B. Piela, B. Davey, J. R. Zelenay, P. Atanassov, P. TI Electrochemical Evaluation of Porous Non-Platinum Oxygen Reduction Catalysts for Polymer Electrolyte Fuel Cells SO FUEL CELLS LA English DT Article DE Catalyst; DMFC; Fuel Cell; Non-Platinum; Oxygen Reduction; PEMFC; Pyrolysed ID FE-BASED CATALYSTS; MONOLAYER ELECTROCATALYSTS; CARBON SUPPORTS; O-2 REDUCTION; PRECURSORS; PYROLYSIS; NITROGEN; METAL; MACROCYCLES; PEROXIDE AB A porous non-platinum electrocatalyst for the oxygen reduction reaction (ORR), obtained by pyrolysing a cobalt porphyrin precursor, was evaluated by electrochemical means. The reactivity of the non-platinum ORR catalyst was investigated with a rotating disc electrode (RDE) experimental set up RDE data were collected in an acidic electrolyte containing N(2), O(2), CO and under mixed reactant O(2)/methanol conditions. The electrochemical performance of such-obtained non-platinum catalyst is discussed and compared to platinum-based ORR catalysts. Based on the results collected here, we are about to propose and test possible proton exchange fuel cell (PEFC) operating conditions where non-platinum ORR catalysts can be utilised. Direct methanol fuel cell (DMFC) data demonstrating a superior performance of the non-platinum catalyst relative to platinum black, often perceived as the state-of-the-art oxygen-reduction catalyst for the DMFC cathode is presented C1 [Olson, T. S.; Atanassov, P.] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Blizanac, B.] Cabot Super MicroPowders, Albuquerque, NM 87113 USA. [Piela, B.; Davey, J. R.; Zelenay, P.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Atanassov, P (reprint author), Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. RI Atanassov, Plamen/G-4616-2011 FU DOE-EERE; Hydrogen and Fuel Cell Program FX This work was supported in part by DOE-EERE, Hydrogen and Fuel Cell Program in Advanced Cathode Catalysts NR 29 TC 27 Z9 27 U1 6 U2 55 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1615-6846 J9 FUEL CELLS JI Fuel Cells PD OCT PY 2009 VL 9 IS 5 BP 547 EP 553 DI 10.1002/fuce.200800089 PG 7 WC Electrochemistry; Energy & Fuels SC Electrochemistry; Energy & Fuels GA 510NN UT WOS:000271095700007 ER PT J AU Abgrall, R Achard, MH Adam, J Agarici, G Agostini, E Airaj, M Albajar-Vinas, F Allegretti, L Allibert, JP Alliez, JC Allouche, A Andreoletti, J Ane, JM Angelino, P Aniel, T Antar, G Arcis, N Argouarch, A Arnas, C Arnoux, G Arslanbekov, R Artaud, JF Asp, E Assas, S Atttuel, G Aymar, R Azeroual, A Balme, S Barana, O Bareyt, B Basiuk, V Basko, M Bayetti, P Baylor, L Beaumont, B Becherer, R Becoulet, A Becoulet, M Begrambekov, L Benkadda, S Benoit, F Bergeaud, V Berger-By, G Berio, S Bernascolle, P Bernier, N Berroukeche, M Bertrand, B Bessette, D Beyer, P Bibet, P Bizzaro, J Blanchard, P Blum, J Boddeker, S Boilson, D Mardion, GB Bonnel, P Bonnin, X Boscary, J Bosia, G Bottereau, JM Bottiglioni, F Bottollier-Curtet, H Bouchand, C Bouligand, G Bouquey, F Bourdelle, C Bregeon, R Bremond, F Bremond, S Breton, C Breton, M Brosset, C Brugnetti, R Bruneau, JL Bucalossi, J Budny, RV Buravand, Y Bush, C Bussac, MN Cambe, A Capes, H Capitain, JJ Cara, P Carbonnier, JL Carpentier, S Carrasco, J Casati, A Chaibi, O Chamouard, C Chantant, M Chappuis, P Chatain, D Chatelier, E Chatelier, M Chatenet, JH Chen, XP Cherigier, L Chevet, G Chiarazzo, L Ciazynski, D Ciraolo, G Cismondi, F Clairet, F Clary, J Clement, C Colas, L Commaux, N Corbel, E Cordier, JJ Corre, Y Costanzo, L Cote, A Coulon, JP Courtois, L Courtois, X Couturier, B Crenn, JP Cristofani, P Crouseilles, N Czarny, O Rosa, PD Darbos, C Darmet, G Davi, M Daviot, R De Esch, H De Gentile, B De Haas, JC De La Cal, E De Michelis, C Deck, C Decker, J Decool, P Degond, P Dejarnac, R Delchambre, E Delmas, E Delpech, L Demarthe, H Dentan, M Depret, G Deschamps, P Desgranges, C Devynck, P Doceul, L Dolgetta, N Doloc, C Dong, Y Dore, P Douai, D Dougnac, H Drawin, HW Druaux, J Druetta, M Dubois, F Dubois, M Dubuit, N Duchateau, JL de Wit, TD Dufour, E Dumont, R Dunand, G Dupas, L Duran, Y Durocher, A Edery, D Ekedahl, A Elbeze, D Eriksson, LG Escande, D Escarguel, A Escourbiac, F Evans, T Faisse, F Falchetto, G Fall, T Farge, M Farjon, JL Faudot, E Fazilleau, P Fedorczak, N Fenzi-Bonizec, C Ferron, JR Fidone, I Figarella, C Fleurence, E Fleury, I Fois, M Forrest, C Foster, CA Fouquet, S Fourment, C Fraboulet, D Francois, P Franel, B Frigione, D Froissard, P Fubiani, G Fuchs, V Fumelli, M Gagey, B Galindo, V Gambier, D Garampon, L Garbet, X Garbil, R Garcia, J Gardarein, JL Gargiulo, L Garibaldi, P Garin, P Gauthier, E Geraud, A Gerbaud, T Gervais, F Geynet, M Ghendrih, P Gianakon, T Giannella, R Gil, C Girard, JP Giruzzi, G Godbert-Mouret, L Gomez, P Goniche, M Gordeev, A Granata, G Grandgirard, V Gravier, R Gravil, B Gregoire, M Gregoire, S Grelot, P Gresillon, D Grisolia, C Gros, G Grosman, A Grua, P Guerin, O Guigon, R Guilhem, D Guillerminet, B Guirlet, R Guiziou, L Gunn, J Hacquin, S Harris, J Haste, G Hatchressian, JC Hemsworth, R Hennequin, P Hennion, F Hennion, V Henry, D Hernandez, C Hertout, P Hess, W Hesse, M Heuraux, S Hillairet, J Hoang, GT Hogan, J Hong, SH Honore, C Horton, L Horton, WW Houlberg, WA Hourtoule, J Houry, M Houy, P How, J Hron, M Hutter, T Huynh, P Huysmans, G Idmtal, J Imbeaux, F Isler, R Jaben, C Jacquinot, J Jacquot, C Jager, B Jaunet, M Javon, C Jelea, A Jequier, F Jie, YX Jimenez, R Joffrin, E Johner, J Jourd'heuil, L Journeaux, JY Joyer, P Ju, M Jullien, F Junique, F Kaye, SM Kazarian, F Khodja, H Klepper, C Kocan, M Koski, J Krivenski, V Krylov, A Kupfer, K Kuus, H Labit, B Laborde, L Lacroix, B Ladurelle, L Lafon, D Lamaison, V Laporte, P Lasalle, J Latu, G Laugier, F Laurent, L Lausenaz, Y Laviron, C Layet, JM Le Bris, A Le Coz, F Le Niliot, C Lebris, A Leclert, G Lecoustey, P Ledyankinc, A Leloup, C Lennholm, M Leroux, F Li, YY Libeyre, P Linez, F Lipa, M Lippmann, S Litaudon, X Liu, WD Loarer, T Lott, F Lotte, P Lowry, C Luciani, JF Lutjens, H Luty, J Lutz, T Lyraud, C Maas, A Macor, A Madeleine, S Magaud, P Maget, P Magne, R Mahdavi, A Mahe, F Mailloux, J Mandl, W Manenc, L Marandet, Y Marbach, G Marechal, JL Martin, C Martin, G Martin, V Martinez, A Martins, JP Maschke, E Masse, L Masset, R Massmann, P Mattioli, M Mayaux, G Mayoral, ML Mazon, D McGrath, R Mercier, C Meslin, B Meunier, L Meyer, O Michelot, Y Million, L Millot, P Minguella, G Minot, F Mioduszewski, P Misguich, JH Miskane, F Missirlian, M Mitteau, R Moerel, F Mollard, P Monakhov, I Moncada, V Moncel, L Monier-Garbet, P Moreau, D Moreau, F Moreau, P Morera, JP Moret, JM Moulin, B Moulin, D Mourgues, F Moustier, M Nakach, R Nannini, M Nanobashvili, I Nardon, E Navarra, P Nehme, H Nguyen, C Nguyen, F Nicollet, S Nygren, R Ogorodnikova, O Olivain, J Orlandelli, P Ottaviani, M Ouvrier-Buffet, P Ouyang, Z Owen, L Pacella, D Pain, M Pamela, J Pamela, S Panek, R Panzarella, A Paris, R Parisot, T Park, SH Parlange, F Parrat, H Pastor, G Pastor, P Pastor, T Patris, R Paume, M Payan, J Pecquet, AL Pegourie, B Petrov, Y Petrzilka, V Peysson, Y Piat, D Picchiottino, JM Pierre, J Platz, P Portafaix, C Prou, M Pugno, R Putchy, L Qin, CM Quallis, L Quemeneur, A Quet, P Rabaglino, E Raharijaona, JJ Ramette, J Ravenel, N Rax, JM Reichle, R Renard, B Renner, H Reuss, JD Reux, C Reverdin, C Rey, G Reynaud, P Riband, PH Richou, M Rigollet, F Rimini, F Riquet, D Rochard, F Rodriguez, L Romanelli, M Romannikov, A Rosanvallon, S Roth, J Rothan, B Roubin, JP Roubin, P Roupillard, G Roussel, P Ruggieri, R Sabathier, F Sabbagh, SA Sabot, R Saha, SK Saint-Laurent, F Salasca, S Salmon, T Salvador, J Samaille, F Samain, A Santagiustina, A Saoutic, B Sarazin, Y Schild, T Schlosser, J Schneider, M Schneider, K Schunke, B Schwander, F Schwob, JL Sebelin, E Segui, JL Seigneur, A Shepard, T Shigin, P Signoret, J Simoncini, J Simonet, F Simonin, A Sirinelli, A Sledziewski, Z Smits, F Soler, K Sonato, PG Song, SD Sonnendrucker, E Sourd, F Spitz, P Spuig, P Stamm, R Stephan, Y Stirling, W Stockel, J Stott, P Sthal, KS Surle, F Svensson, L Tachon, J Talvard, M Tamain, P Tavian, L Tena, M Theis, JM Thomas, CE Thomas, P Thonnat, M Tobin, S Tokar, M Tonon, G Torossian, A Torre, A Trainham, RC Travere, JM Tresset, G Trier, E Truc, A Tsitrone, E Turck, B Turco, F Turlur, S Uckan, T Udintsev, V Urguijo, G Utzel, N Vallet, JC Valter, J Van Houtte, D Van Rompuy, T Vatry, A Verga, A Vermare, L Vezard, D Viallet, H Villecroze, F Villedieu, E Villegas, D Vincent, E Voitsekovitch, I Von Hellermann, M Voslamber, D Voyer, D Vulliez, K Wachter, C Wagner, T Waller, V Wang, G Wang, Z Watkins, J Weisse, J White, R Wijnands, T Witrant, E Worms, J Xiao, W Yu, D Zabeo, L Zabiego, M Zani, L Zhuang, G Zou, XL Zucchi, E Zunino, K Zwingmann, W AF Abgrall, R. Achard, M. H. Adam, J. Agarici, G. Agostini, E. Airaj, M. Albajar-Vinas, F. Allegretti, L. Allibert, J. P. Alliez, J. C. Allouche, A. Andreoletti, J. Ane, J. M. Angelino, P. Aniel, T. Antar, G. Arcis, N. Argouarch, A. Arnas, C. Arnoux, G. Arslanbekov, R. Artaud, J. F. Asp, E. Assas, S. Atttuel, G. Aymar, R. Azeroual, A. Balme, S. Barana, O. Bareyt, B. Basiuk, V. Basko, M. Bayetti, P. Baylor, L. Beaumont, B. Becherer, R. Becoulet, A. Becoulet, M. Begrambekov, L. Benkadda, S. Benoit, F. Bergeaud, V. Berger-By, G. Berio, S. Bernascolle, P. Bernier, N. Berroukeche, M. Bertrand, B. Bessette, D. Beyer, P. Bibet, P. Bizzaro, J. Blanchard, P. Blum, J. Boddeker, S. Boilson, D. Mardion, G. Bon Bonnel, P. Bonnin, X. Boscary, J. Bosia, G. Bottereau, J. M. Bottiglioni, F. Bottollier-Curtet, H. Bouchand, C. Bouligand, G. Bouquey, F. Bourdelle, C. Bregeon, R. Bremond, F. Bremond, S. Breton, C. Breton, M. Brosset, C. Brugnetti, R. Bruneau, J. L. Bucalossi, J. Budny, R. V. Buravand, Y. Bush, C. Bussac, M. N. Cambe, A. Capes, H. Capitain, J. J. Cara, P. Carbonnier, J. L. Carpentier, S. Carrasco, J. Casati, A. Chaibi, O. Chamouard, C. Chantant, M. Chappuis, P. Chatain, D. Chatelier, E. Chatelier, M. Chatenet, J. H. Chen, X. P. Cherigier, L. Chevet, G. Chiarazzo, L. Ciazynski, D. Ciraolo, G. Cismondi, F. Clairet, F. Clary, J. Clement, C. Colas, L. Commaux, N. Corbel, E. Cordier, J. J. Corre, Y. Costanzo, L. Cote, A. Coulon, J. P. Courtois, L. Courtois, X. Couturier, B. Crenn, J. P. Cristofani, P. Crouseilles, N. Czarny, O. Rosa, P. Da Silva Darbos, C. Darmet, G. Davi, M. Daviot, R. De Esch, H. De Gentile, B. De Haas, J. C. De La Cal, E. De Michelis, C. Deck, C. Decker, J. Decool, P. Degond, P. Dejarnac, R. Delchambre, E. Delmas, E. Delpech, L. Demarthe, H. Dentan, M. Depret, G. Deschamps, P. Desgranges, C. Devynck, P. Doceul, L. Dolgetta, N. Doloc, C. Dong, Y. Dore, P. Douai, D. Dougnac, H. Drawin, H. W. Druaux, J. Druetta, M. Dubois, F. Dubois, M. Dubuit, N. Duchateau, J. L. de Wit, T. Dudok Dufour, E. Dumont, R. Dunand, G. Dupas, L. Duran, Y. Durocher, A. Edery, D. Ekedahl, A. Elbeze, D. Eriksson, L. G. Escande, D. Escarguel, A. Escourbiac, F. Evans, T. Faisse, F. Falchetto, G. Fall, T. Farge, M. Farjon, J. L. Faudot, E. Fazilleau, P. Fedorczak, N. Fenzi-Bonizec, C. Ferron, J. R. Fidone, I. Figarella, C. Fleurence, E. Fleury, I. Fois, M. Forrest, C. Foster, C. A. Fouquet, S. Fourment, C. Fraboulet, D. Francois, P. Franel, B. Frigione, D. Froissard, P. Fubiani, G. Fuchs, V. Fumelli, M. Gagey, B. Galindo, V. Gambier, D. Garampon, L. Garbet, X. Garbil, R. Garcia, J. Gardarein, J. L. Gargiulo, L. Garibaldi, P. Garin, P. Gauthier, E. Geraud, A. Gerbaud, T. Gervais, F. Geynet, M. Ghendrih, P. Gianakon, T. Giannella, R. Gil, C. Girard, J. P. Giruzzi, G. Godbert-Mouret, L. Gomez, P. Goniche, M. Gordeev, A. Granata, G. Grandgirard, V. Gravier, R. Gravil, B. Gregoire, M. Gregoire, S. Grelot, P. Gresillon, D. Grisolia, C. Gros, G. Grosman, A. Grua, P. Guerin, O. Guigon, R. Guilhem, D. Guillerminet, B. Guirlet, R. Guiziou, L. Gunn, J. Hacquin, S. Harris, J. Haste, G. Hatchressian, J. C. Hemsworth, R. Hennequin, P. Hennion, F. Hennion, V. Henry, D. Hernandez, C. Hertout, P. Hess, W. Hesse, M. Heuraux, S. Hillairet, J. Hoang, G. T. Hogan, J. Hong, S. H. Honore, C. Horton, L. Horton, W. W. Houlberg, W. A. Hourtoule, J. Houry, M. Houy, P. How, J. Hron, M. Hutter, T. Huynh, P. Huysmans, G. Idmtal, J. Imbeaux, F. Isler, R. Jaben, C. Jacquinot, J. Jacquot, C. Jager, B. Jaunet, M. Javon, C. Jelea, A. Jequier, F. Jie, Y. X. Jimenez, R. Joffrin, E. Johner, J. Jourd'heuil, L. Journeaux, J. Y. Joyer, P. Ju, M. Jullien, F. Junique, F. Kaye, S. M. Kazarian, F. Khodja, H. Klepper, C. Kocan, M. Koski, J. Krivenski, V. Krylov, A. Kupfer, K. Kuus, H. Labit, B. Laborde, L. Lacroix, B. Ladurelle, L. Lafon, D. Lamaison, V. Laporte, P. Lasalle, J. Latu, G. Laugier, F. Laurent, L. Lausenaz, Y. Laviron, C. Layet, J. M. Le Bris, A. Le Coz, F. Le Niliot, C. Lebris, A. Leclert, G. Lecoustey, P. Ledyankinc, A. Leloup, C. Lennholm, M. Leroux, F. Li, Y. Y. Libeyre, P. Linez, F. Lipa, M. Lippmann, S. Litaudon, X. Liu, W. D. Loarer, T. Lott, F. Lotte, P. Lowry, C. Luciani, J. F. Luetjens, H. Luty, J. Lutz, T. Lyraud, C. Maas, A. Macor, A. Madeleine, S. Magaud, P. Maget, P. Magne, R. Mahdavi, A. Mahe, F. Mailloux, J. Mandl, W. Manenc, L. Marandet, Y. Marbach, G. Marechal, J. L. Martin, C. Martin, G. Martin, V. Martinez, A. Martins, J. P. Maschke, E. Masse, L. Masset, R. Massmann, P. Mattioli, M. Mayaux, G. Mayoral, M. L. Mazon, D. McGrath, R. Mercier, C. Meslin, B. Meunier, L. Meyer, O. Michelot, Y. Million, L. Millot, P. Minguella, G. Minot, F. Mioduszewski, P. Misguich, J. H. Miskane, F. Missirlian, M. Mitteau, R. Moerel, F. Mollard, P. Monakhov, I. Moncada, V. Moncel, L. Monier-Garbet, P. Moreau, D. Moreau, F. Moreau, P. Morera, J. P. Moret, J. M. Moulin, B. Moulin, D. Mourgues, F. Moustier, M. Nakach, R. Nannini, M. Nanobashvili, I. Nardon, E. Navarra, P. Nehme, H. Nguyen, C. Nguyen, F. Nicollet, S. Nygren, R. Ogorodnikova, O. Olivain, J. Orlandelli, P. Ottaviani, M. Ouvrier-Buffet, P. Ouyang, Z. Owen, L. Pacella, D. Pain, M. Pamela, J. Pamela, S. Panek, R. Panzarella, A. Paris, R. Parisot, T. Park, S. H. Parlange, F. Parrat, H. Pastor, G. Pastor, P. Pastor, T. Patris, R. Paume, M. Payan, J. Pecquet, A. L. Pegourie, B. Petrov, Y. Petrzilka, V. Peysson, Y. Piat, D. Picchiottino, J. M. Pierre, J. Platz, P. Portafaix, C. Prou, M. Pugno, R. Putchy, L. Qin, C. M. Quallis, L. Quemeneur, A. Quet, P. Rabaglino, E. Raharijaona, J. J. Ramette, J. Ravenel, N. Rax, J. M. Reichle, R. Renard, B. Renner, H. Reuss, J. D. Reux, C. Reverdin, C. Rey, G. Reynaud, P. Riband, P. H. Richou, M. Rigollet, F. Rimini, F. Riquet, D. Rochard, F. Rodriguez, L. Romanelli, M. Romannikov, A. Rosanvallon, S. Roth, J. Rothan, B. Roubin, J. P. Roubin, P. Roupillard, G. Roussel, P. Ruggieri, R. Sabathier, F. Sabbagh, S. A. Sabot, R. Saha, S. K. Saint-Laurent, F. Salasca, S. Salmon, T. Salvador, J. Samaille, F. Samain, A. Santagiustina, A. Saoutic, B. Sarazin, Y. Schild, T. Schlosser, J. Schneider, M. Schneider, K. Schunke, B. Schwander, F. Schwob, J. L. Sebelin, E. Segui, J. L. Seigneur, A. Shepard, T. Shigin, P. Signoret, J. Simoncini, J. Simonet, F. Simonin, A. Sirinelli, A. Sledziewski, Z. Smits, F. Soler, K. Sonato, P. G. Song, S. D. Sonnendrucker, E. Sourd, F. Spitz, P. Spuig, P. Stamm, R. Stephan, Y. Stirling, W. Stockel, J. Stott, P. Sthal, K. Strom Surle, F. Svensson, L. Tachon, J. Talvard, M. Tamain, P. Tavian, L. Tena, M. Theis, J. M. Thomas, C. E. Thomas, P. Thonnat, M. Tobin, S. Tokar, M. Tonon, G. Torossian, A. Torre, A. Trainham, R. C. Travere, J. M. Tresset, G. Trier, E. Truc, A. Tsitrone, E. Turck, B. Turco, F. Turlur, S. Uckan, T. Udintsev, V. Urguijo, G. Utzel, N. Vallet, J. C. Valter, J. Van Houtte, D. Van Rompuy, T. Vatry, A. Verga, A. Vermare, L. Vezard, D. Viallet, H. Villecroze, F. Villedieu, E. Villegas, D. Vincent, E. Voitsekovitch, I. Von Hellermann, M. Voslamber, D. Voyer, D. Vulliez, K. Wachter, C. Wagner, T. Waller, V. Wang, G. Wang, Z. Watkins, J. Weisse, J. White, R. Wijnands, T. Witrant, E. Worms, J. Xiao, W. Yu, D. Zabeo, L. Zabiego, M. Zani, L. Zhuang, G. Zou, X. L. Zucchi, E. Zunino, K. Zwingmann, W. CA Tore Supra Team TI TORE SUPRA TEAM MEMBERS 1988-2008 SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article C1 [Abgrall, R.] Univ Sci & Technol, CNRS, INRIA, Bordeaux, France. [Achard, M. H.; Adam, J.; Agarici, G.; Agostini, E.; Airaj, M.; Albajar-Vinas, F.; Allegretti, L.; Allibert, J. P.; Alliez, J. C.; Andreoletti, J.; Ane, J. M.; Angelino, P.; Aniel, T.; Antar, G.; Arcis, N.; Argouarch, A.; Arnas, C.; Arnoux, G.; Arslanbekov, R.; Artaud, J. F.; Asp, E.; Assas, S.; Atttuel, G.; Aymar, R.; Azeroual, A.; Balme, S.; Barana, O.; Bareyt, B.; Basiuk, V.; Basko, M.; Bayetti, P.; Beaumont, B.; Becherer, R.; Becoulet, A.; Becoulet, M.; Benoit, F.; Bergeaud, V.; Berger-By, G.; Berio, S.; Bernascolle, P.; Bernier, N.; Berroukeche, M.; Bertrand, B.; Bessette, D.; Bibet, P.; Bizzaro, J.; Boddeker, S.; Mardion, G. Bon; Bonnel, P.; Bonnin, X.; Boscary, J.; Bosia, G.; Bottereau, J. M.; Bottiglioni, F.; Bottollier-Curtet, H.; Bouchand, C.; Bouligand, G.; Bouquey, F.; Bourdelle, C.; Bregeon, R.; Bremond, S.; Breton, C.; Breton, M.; Brosset, C.; Brugnetti, R.; Bruneau, J. L.; Bucalossi, J.; Buravand, Y.; Cambe, A.; Capes, H.; Capitain, J. J.; Cara, P.; Carbonnier, J. L.; Carpentier, S.; Carrasco, J.; Casati, A.; Chaibi, O.; Chamouard, C.; Chantant, M.; Chappuis, P.; Chatain, D.; Chatelier, E.; Chatelier, M.; Chen, X. P.; Cherigier, L.; Chevet, G.; Chiarazzo, L.; Ciazynski, D.; Ciraolo, G.; Cismondi, F.; Clairet, F.; Clary, J.; Clement, C.; Colas, L.; Commaux, N.; Corbel, E.; Cordier, J. J.; Corre, Y.; Costanzo, L.; Cote, A.; Coulon, J. P.; Courtois, L.; Courtois, X.; Couturier, B.; Crenn, J. P.; Cristofani, P.; Czarny, O.; Rosa, P. Da Silva; Darbos, C.; Darmet, G.; Davi, M.; Daviot, R.; De Esch, H.; De Gentile, B.; De Haas, J. C.; De La Cal, E.; De Michelis, C.; Deck, C.; Decker, J.; Decool, P.; Degond, P.; Dejarnac, R.; Delchambre, E.; Delmas, E.; Delpech, L.; Demarthe, H.; Dentan, M.; Depret, G.; Deschamps, P.; Desgranges, C.; Devynck, P.; Doceul, L.; Dolgetta, N.; Doloc, C.; Dore, P.; Douai, D.; Dougnac, H.; Drawin, H. W.; Druaux, J.; Dubois, F.; Dubois, M.; Dubuit, N.; Duchateau, J. L.; de Wit, T. Dudok; Dufour, E.; Dumont, R.; Dunand, G.; Dupas, L.; Durocher, A.; Edery, D.; Ekedahl, A.; Elbeze, D.; Eriksson, L. G.; Escarguel, A.; Escourbiac, F.; Faisse, F.; Falchetto, G.; Fall, T.; Farjon, J. L.; Fazilleau, P.; Fedorczak, N.; Fenzi-Bonizec, C.; Fidone, I.; Figarella, C.; Fleurence, E.; Fleury, I.; Fois, M.; Fouquet, S.; Fourment, C.; Fraboulet, D.; Francois, P.; Franel, B.; Froissard, P.; Fubiani, G.; Fumelli, M.; Gagey, B.; Galindo, V.; Gambier, D.; Garampon, L.; Garbet, X.; Garbil, R.; Garcia, J.; Gardarein, J. L.; Gargiulo, L.; Garibaldi, P.; Garin, P.; Gauthier, E.; Geraud, A.; Gerbaud, T.; Geynet, M.; Ghendrih, P.; Gianakon, T.; Giannella, R.; Gil, C.; Girard, J. P.; Giruzzi, G.; Gomez, P.; Goniche, M.; Granata, G.; Grandgirard, V.; Gravier, R.; Gravil, B.; Gregoire, M.; Gregoire, S.; Grelot, P.; Grisolia, C.; Gros, G.; Grosman, A.; Grua, P.; Guerin, O.; Guigon, R.; Guilhem, D.; Guillerminet, B.; Guirlet, R.; Guiziou, L.; Gunn, J.; Hacquin, S.; Hatchressian, J. C.; Hemsworth, R.; Hennion, F.; Hennion, V.; Henry, D.; Hernandez, C.; Hertout, P.; Hess, W.; Hesse, M.; Hillairet, J.; Hoang, G. T.; Hong, S. H.; Hourtoule, J.; Houry, M.; Houy, P.; How, J.; Hutter, T.; Huynh, P.; Huysmans, G.; Idmtal, J.; Imbeaux, F.; Jaben, C.; Jacquinot, J.; Jacquot, C.; Jager, B.; Jaunet, M.; Javon, C.; Jelea, A.; Jequier, F.; Jimenez, R.; Joffrin, E.; Johner, J.; Jourd'heuil, L.; Journeaux, J. Y.; Joyer, P.; Ju, M.; Jullien, F.; Junique, F.; Kazarian, F.; Kocan, M.; Kuus, H.; Labit, B.; Laborde, L.; Lacroix, B.; Ladurelle, L.; Lafon, D.; Lamaison, V.; Laporte, P.; Lasalle, J.; Laugier, F.; Laurent, L.; Lausenaz, Y.; Laviron, C.; Le Bris, A.; Le Coz, F.; Lebris, A.; Lecoustey, P.; Ledyankinc, A.; Leloup, C.; Lennholm, M.; Leroux, F.; Libeyre, P.; Linez, F.; Lipa, M.; Litaudon, X.; Liu, W. D.; Loarer, T.; Lott, F.; Lotte, P.; Lowry, C.; Luty, J.; Lyraud, C.; Maas, A.; Macor, A.; Madeleine, S.; Magaud, P.; Maget, P.; Magne, R.; Mahe, F.; Mailloux, J.; Mandl, W.; Manenc, L.; Marbach, G.; Marechal, J. L.; Martin, G.; Martinez, A.; Martins, J. P.; Maschke, E.; Masse, L.; Masset, R.; Massmann, P.; Mattioli, M.; Mayaux, G.; Mayoral, M. L.; Mazon, D.; Mercier, C.; Meslin, B.; Meunier, L.; Meyer, O.; Michelot, Y.; Million, L.; Millot, P.; Minguella, G.; Minot, F.; Misguich, J. H.; Miskane, F.; Missirlian, M.; Mitteau, R.; Moerel, F.; Mollard, P.; Monakhov, I.; Moncada, V.; Moncel, L.; Monier-Garbet, P.; Moreau, D.; Moreau, F.; Moreau, P.; Morera, J. P.; Moret, J. M.; Moulin, B.; Moulin, D.; Mourgues, F.; Moustier, M.; Nakach, R.; Nannini, M.; Nardon, E.; Navarra, P.; Nehme, H.; Nguyen, C.; Nguyen, F.; Nicollet, S.; Ogorodnikova, O.; Olivain, J.; Orlandelli, P.; Ottaviani, M.; Ouvrier-Buffet, P.; Pain, M.; Pamela, J.; Pamela, S.; Panzarella, A.; Paris, R.; Parisot, T.; Parlange, F.; Parrat, H.; Pastor, G.; Pastor, P.; Pastor, T.; Patris, R.; Paume, M.; Payan, J.; Pecquet, A. L.; Pegourie, B.; Petrov, Y.; Peysson, Y.; Piat, D.; Picchiottino, J. 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A.; Isler, R.; Klepper, C.; Mioduszewski, P.; Owen, L.; Qin, C. M.; Quallis, L.; Shepard, T.; Stirling, W.; Thomas, C. E.; Uckan, T.] Oak Ridge Natl Lab, Div Fus Energy, Oak Ridge, TN 37831 USA. [Begrambekov, L.; Gordeev, A.] Moscow Phys & Engn Inst, Moscow 115409, Russia. [Blanchard, P.] Ecole Polytech Fed Lausanne, Assoc Euratom Confederat Suisse, Ctr Rech Phys Plasmas, PPB Ecublens, CH-1015 Lausanne, Switzerland. [Blum, J.] Univ Grenoble 1, F-38041 Grenoble 9, France. [Boilson, D.] Dublin City Univ, Sch Phys Sci, Glasnevin 9, Ei Dublin, Ireland. [Bremond, F.; Martin, V.; Thonnat, M.] INRIA Sophia Antipolis, F-06902 Nice, France. [Budny, R. V.; Kaye, S. M.; White, R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Bussac, M. N.; Chatenet, J. H.; Luciani, J. F.; Luetjens, H.] Ecole Polytech, Ctr Phys Theor, F-91128 Palaiseau, France. [Crouseilles, N.; Latu, G.; Sonnendrucker, E.] Univ Strasbourg, IRMA, Strasbourg, France. 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X.; Khodja, H.; Ouyang, Z.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Anhui, Peoples R China. [Li, Y. Y.] CEA Saclay, CNRS, CEA, Lab Pierre Sue, F-91191 Gif Sur Yvette, France. [Krivenski, V.] CIEMAT, EURATOM Assoc, Lab Nacl Fus, E-28040 Madrid, Spain. [Krylov, A.] Russian Res Ctr, Kurchatov Inst, Moscow 123182, Russia. [Le Niliot, C.; Rigollet, F.] Univ Aix Marseille 1, IUSTI, Marseille, France. [Nanobashvili, I.] Geargian Acad Sci, Abastumany Astrophys Observ, GE-0160 Tbilisi, Rep of Georgia. [Park, S. H.] Korean Basic Sci Inst, Taejon 305330, South Korea. [Renner, H.; Roth, J.] EURATOM Assoziat, Max Planck Inst Plasmaphys, D-85748 Garching, Germany. [Romannikov, A.] Troitsk Inst Innovating & Thermonucl Res TRINITI, Troitsk 142190, Russia. [Sabbagh, S. A.] Columbia Univ, Dept Appl Phys, New York, NY 10027 USA. [Schneider, K.] Univ Paul Cezanne, MSNM GP, Marseille, France. [Schwob, J. L.] Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel. [Stephan, Y.] CEA Cadarache, CISI Cadarache, F-13108 St Paul Les Durance, France. [Tokar, M.; Von Hellermann, M.] EURATOM Assoziat, Inst Plasmaphys, Forschungszentrum Julich GmbH, D-52425 Julich, Germany. [Udintsev, V.] EURATOM, FOM, Inst Plasma Phys, NL-3430 BE Nieuwegein, Netherlands. [Van Rompuy, T.] Univ Gand, B-9000 Ghent, Belgium. [Verga, A.] Technopole Chateau Gombert, Inst Mediterraneen Technol, F-13451 Marseille 20, France. [Voyer, D.] Univ Lyon, Ecole Cent Lyon, Lab Ampere, Ecully, France. RP Abgrall, R (reprint author), Univ Sci & Technol, CNRS, INRIA, Bordeaux, France. RI Stockel, Jan/H-4810-2014; Vermare, Laure/L-7488-2014; Artaud, Jean-Francois/J-2068-2012; Fall, Tove/O-7226-2014; Khodja, Hicham/A-1869-2016; Begrambekov, Leon/B-3081-2016; Masse, Laurent/F-1476-2016; Douai, David/H-2848-2012; Falchetto, Gloria/B-4320-2010; Blum, Jacques/N-1792-2016; Basko, Mikhail/Q-7767-2016; Decker, Joan/B-7779-2010; Rigollet, Fabrice/M-2157-2013; Dumont, Remi/D-3840-2009; Shigin, Pavel/B-9078-2011; Sabbagh, Steven/C-7142-2011; GAUTHIER, Eric/E-1076-2011; hernandez, caroline/F-6682-2011; Schneider, Mireille/B-7821-2010; Houry, Michael/G-8021-2011; Artaud, Jean-Francois/G-8480-2011; ANIEL, Thierry/G-8734-2011; Hron, Martin/E-2423-2012; Imbeaux, Frederic/A-7614-2013; Schild, Thierry/J-6164-2013 OI Vermare, Laure/0000-0002-3090-2713; Basko, Mikhail/0000-0001-8809-8601; Decker, Joan/0000-0003-0220-2653; ANIEL, Thierry/0000-0002-2598-9551; Hron, Martin/0000-0003-3987-8040; NR 0 TC 0 Z9 0 U1 2 U2 30 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 EI 1943-7641 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2009 VL 56 IS 3 BP 1453 EP 1454 PG 2 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 510MM UT WOS:000271092600022 ER PT J AU Croshaw, DA Peters, MB Glenn, TC AF Croshaw, Dean A. Peters, Maureen B. Glenn, Travis C. TI Comparing the performance of analytical techniques for genetic parentage of half-sib progeny arrays SO GENETICS RESEARCH LA English DT Article ID MULTIPLE PATERNITY; SPERM STORAGE; NATURAL-POPULATION; REPRODUCTIVE SUCCESS; COMPUTER-PROGRAM; SEXUAL SELECTION; AMBYSTOMA-OPACUM; SALAMANDER; GENOTYPES; NEWT AB The prevalence of female multiple mating in natural populations is important for many questions in mating system evolution. Several statistical techniques use genetic data to estimate the number of fathers that contribute gametes to broods, but they have not been widely compared to assess the magnitude of differences in their performance. With a combination of new data and reanalysis of previously published data, we compared five analytical approaches: (1) allele-counting, (2) parental reconstruction in GERUD, (3) a Bayesian probability model to estimate the frequency of multiple mating (FMM), (4) computer simulations based on population allele frequencies in HAPLOTYPES and (5) Bayesian parental reconstruction in PARENTAGE. The results show that choice of analysis technique can significantly affect estimates of sire number. Estimates from GERUD conformed exactly to results obtained from strict exclusion of potential sires in an experimental context. However, estimates yielded by HAPLOTYPES and PARENTAGE sometimes exceeded the numbers from GERUD by as much as 120 and 55%, respectively. We recommend GERUD over these other approaches for most purposes because of its accuracy and consistency in this analysis. Our novel genetic data set allowed us to investigate the extent and frequency of multiple paternity in a marbled salamander (Ambystoma opacum) population in South Carolina, USA. A. opacum contrasted with other salamander species by having relatively low levels of multiple paternity (only 31-54% compared with 71-96%). Although A. opacum had the lowest level of multiple paternity under all analytical approaches used here, the magnitude of differences among species varied. C1 [Croshaw, Dean A.; Peters, Maureen B.; Glenn, Travis C.] Savannah River Ecol Lab, Aiken, SC 29802 USA. [Croshaw, Dean A.] Univ New Orleans, Dept Biol Sci, New Orleans, LA 70148 USA. [Glenn, Travis C.] Univ Georgia, Environm Hlth Sci & Georgia Genom Facil, Athens, GA 30602 USA. RP Croshaw, DA (reprint author), Univ Arizona, Dept Ecol & Evolutionary Biol, POB 210088, Tucson, AZ 85721 USA. EM croshaw@email.arizona.edu RI Glenn, Travis/A-2390-2008 FU University of New Orleans; National Science Foundation [DBI-0139572]; U.S. Department of Energy [DE-FC09-96SR 18546] FX E. Adams, A. Jones and E. Myers each kindly provided data sets for reanalysis. We also thank Y. DeWoody, A. DeWoody and E. Myers for help with HAPLOTYPES. W. Gibbons, J. Howard, S. Johnson, T. Mackay, J. Pechrnann, P. Phillips and the reviewers provided valuable comments on an earlier draft. DAC was Supported by a Board of Regents Superior Graduate Fellowship from the University of New Orleans. M BP was Supported by the National Science Foundation Grant No. DBI-0139572. Other financial assistance was provided by award DE-FC09-96SR 18546 from the U.S. Department of Energy to the University of Georgia Research Foundation. NR 53 TC 5 Z9 5 U1 0 U2 7 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0016-6723 J9 GENET RES JI Genet. Res. PD OCT PY 2009 VL 91 IS 5 BP 313 EP 325 DI 10.1017/S0016672309990231 PG 13 WC Genetics & Heredity SC Genetics & Heredity GA 534DP UT WOS:000272876000002 PM 19922695 ER PT J AU Jones, RH Schilk, AJ AF Jones, R. H. Schilk, A. J. TI Chemistry, petrology and bulk oxygen isotope compositions of chondrules from the Mokoia CV3 carbonaceous chondrite SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID SIZE-FREQUENCY-DISTRIBUTIONS; PORPHYRITIC PYROXENE CHONDRULES; POSSIBLE PRECURSOR COMPONENTS; ALUMINUM-RICH INCLUSIONS; EARLY SOLAR-SYSTEM; FERROMAGNESIAN CHONDRULES; REFRACTORY INCLUSIONS; ASTEROIDAL ALTERATION; SEMARKONA CHONDRULES; ALLENDE METEORITE AB We report bulk chemical compositions and physical properties for a suite of 94 objects, mostly chondrules, separated from the Mokoia CV3(ox) carbonaceous chondrite. We also describe mineralogical and petrologic information for a selected subset of the same suite of chondrules. The data are used to examine the range of chondrule bulk compositions, and to investigate the relationships between chondrule mineralogy, texture and bulk compositions, as well as oxygen isotopic properties that we reported previously. Most of the chondrules show minimal metamorphism, corresponding to petrologic subtype <3.2. In general, elemental fractionations observed in chondrule bulk compositions are reflected in the compositions of constituent minerals. For chondrules, mean bulk compositions and compositional ranges are very similar for large (>2 mg) and small (<2 mg) size fractions. Two of the objects studied are described as matrix-rich clasts. These have similar bulk compositions to the chondrule mean, and are potential chondrule precursors. One of these clasts has a similar bulk oxygen isotopic composition to Mokoia chondrules, but the other has an anomalously high value of Delta(17)O (+3.60 parts per thousand). Chondrules are diverse in bulk chemical composition, with factor of 10 variations in most major element abundances that cannot be attributed to secondary processes. The chondrules examined show evidence for extensive secondary oxidation, and possible sulfidization, as expected for an oxidized CV chondrite, but minimal aqueous alteration. Some of the bulk chondrule compositional variation might be the result of chemical (e. g. volatilization or condensation) or physical ( e. g. metal loss) processes during chondrule formation. However, we suggest that it is mainly the result of significant variations in the assembly of particles that constituted chondrule precursors. Precursor material likely included a refractory component, possibly inherited from disaggregated CAIs, an FeO-poor ferromagnesian component such as olivine or pyroxene, an oxidized ferromagnesian component, and a metal component. Bulk oxygen isotope ratios of chondrules can be explained if refractory and ferromagnesian precursor materials initially shared similar oxygen isotopic compositions of delta(17)O, delta(18)O around -50 parts per thousand, and then significant exchange occurred between the chondrule and surrounding (16)O-poor gas during melting. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Jones, R. H.] Univ New Mexico, Dept Earth & Planetary Sci, Albuquerque, NM 87131 USA. [Schilk, A. J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Jones, RH (reprint author), Univ New Mexico, Dept Earth & Planetary Sci, Albuquerque, NM 87131 USA. FU NASA [NNG06GF73G] FX The authors thank D. Hezel and H. Nagahara for helpful reviews that improved the manuscript, Z. Sharp and T. Durakiewicz for oxygen isotope analyses, A. Brearley for valuable discussions and M. Spilde for assistance with electron microprobe analyses. SEM and electron microprobe analyses were conducted at the Electron Microbeam Facility at the Institute of Meteoritics and Department of Earth and Planetary Sciences, University of New Mexico. This work was partially supported by NASA Grant NNG06GF73G. NR 96 TC 15 Z9 15 U1 1 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD OCT 1 PY 2009 VL 73 IS 19 BP 5854 EP 5883 DI 10.1016/j.gca.2009.06.029 PG 30 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 541LE UT WOS:000273416400021 ER PT J AU Vasco, DW AF Vasco, D. W. TI Modelling broad-band poroelastic propagation using an asymptotic approach SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE Transient deformation; Geomechanics; Hydrology; Permeability and porosity; Theoretical seismology; Wave propagation ID ELASTIC POROUS-MEDIA; FLUID-FLOW; HALF-SPACE; TRANSIENT-RESPONSE; WAVE-PROPAGATION; RAY THEORY; DEFORMATION; INVERSION; PERMEABILITY; DIFFUSION AB P>An asymptotic method, valid in the presence of smoothly varying heterogeneity, is used to derive a semi-analytic solution to the equations for fluid and solid displacements in a poroelastic medium. The solution is defined along trajectories through the porous medium model, in the manner of ray theory. The lowest order expression in the asymptotic expansion provides an eikonal equation for the phase. There are three modes of propagation, two modes of longitudinal displacement and a single mode of transverse displacement. The two longitudinal modes define the Biot fast and slow waves which have very different propagation characteristics. In the limit of low frequency, the Biot slow wave propagates as a diffusive disturbance, in essence a transient pressure pulse. Conversely, at low frequencies the Biot fast wave and the transverse mode are modified elastic waves. At intermediate frequencies the wave characteristics of the longitudinal modes are mixed. A comparison of the asymptotic solution with analytic and numerical solutions shows reasonably good agreement for both homogeneous and heterogeneous earth models. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Vasco, DW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM dwvasco@lbl.gov RI Vasco, Donald/I-3167-2016; Vasco, Donald/G-3696-2015 OI Vasco, Donald/0000-0003-1210-8628; Vasco, Donald/0000-0003-1210-8628 FU Assistant Secretary, Office of Basic Energy Sciences of the U.S. Department of Energy [DE-AC03-76SF00098] FX This work was supported by the Assistant Secretary, Office of Basic Energy Sciences of the U.S. Department of Energy under contract DE-AC03-76SF00098. I wish to thank S. Pride and Y. Masson for supplying the finite difference code for computing displacements in a poroelastic medium. All computations were carried out at the Center for Computational Seismology, Berkeley Laboratory. NR 97 TC 9 Z9 9 U1 0 U2 6 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD OCT PY 2009 VL 179 IS 1 BP 299 EP 318 DI 10.1111/j.1365-246X.2009.04263.x PG 20 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 493KX UT WOS:000269736600021 ER PT J AU Campbell, ML Putnam, M AF Campbell, M. L. Putnam, M. TI BRIDGING THE AGING AND DISABILITY NEXUS: DEMOGRAPHIC, CONCEPTUAL AND POLICY PERSPECTIVES SO GERONTOLOGIST LA English DT Meeting Abstract C1 [Campbell, M. L.] Natl Inst Disabil & Rehabil Res, US DOE, Washington, DC USA. [Putnam, M.] Simmons Coll, Boston, MA 02115 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU GERONTOLOGICAL SOC AMER PI WASHINGTON PA 1030 15TH ST NW, STE 250, WASHINGTON, DC 20005202-842 USA SN 0016-9013 J9 GERONTOLOGIST JI Gerontologist PD OCT PY 2009 VL 49 SU 2 BP 261 EP 261 PG 1 WC Gerontology SC Geriatrics & Gerontology GA 519UK UT WOS:000271794100267 ER PT J AU Randerson, JT Hoffman, FM Thornton, PE Mahowald, NM Lindsay, K Lee, YH Nevison, CD Doney, SC Bonan, G Stockli, R Covey, C Running, SW Fung, IY AF Randerson, James T. Hoffman, Forrest M. Thornton, Peter E. Mahowald, Natalie M. Lindsay, Keith Lee, Yen-Huei Nevison, Cynthia D. Doney, Scott C. Bonan, Gordon Stoeckli, Reto Covey, Curtis Running, Steven W. Fung, Inez Y. TI Systematic assessment of terrestrial biogeochemistry in coupled climate-carbon models SO GLOBAL CHANGE BIOLOGY LA English DT Article DE ameriflux; atmospheric tracer transport model intercomparison project (TRANSCOM); community land model; free air carbon dioxide enrichment (FACE); net primary production (NPP); surface energy exchange ID ATMOSPHERIC CO2; SEASONAL CYCLE; FOREST BIOMASS; LONG-TERM; INTERANNUAL VARIABILITY; ECOSYSTEM MODEL; GLOBAL RESPONSE; MODIS; DISTURBANCE; SENSITIVITY AB With representation of the global carbon cycle becoming increasingly complex in climate models, it is important to develop ways to quantitatively evaluate model performance against in situ and remote sensing observations. Here we present a systematic framework, the Carbon-LAnd Model Intercomparison Project (C-LAMP), for assessing terrestrial biogeochemistry models coupled to climate models using observations that span a wide range of temporal and spatial scales. As an example of the value of such comparisons, we used this framework to evaluate two biogeochemistry models that are integrated within the Community Climate System Model (CCSM) - Carnegie-Ames-Stanford Approach' (CASA') and carbon-nitrogen (CN). Both models underestimated the magnitude of net carbon uptake during the growing season in temperate and boreal forest ecosystems, based on comparison with atmospheric CO2 measurements and eddy covariance measurements of net ecosystem exchange. Comparison with MODerate Resolution Imaging Spectroradiometer (MODIS) measurements show that this low bias in model fluxes was caused, at least in part, by 1-3 month delays in the timing of maximum leaf area. In the tropics, the models overestimated carbon storage in woody biomass based on comparison with datasets from the Amazon. Reducing this model bias will probably weaken the sensitivity of terrestrial carbon fluxes to both atmospheric CO2 and climate. Global carbon sinks during the 1990s differed by a factor of two (2.4 Pg C yr(-1) for CASA' vs. 1.2 Pg C yr(-1) for CN), with fluxes from both models compatible with the atmospheric budget given uncertainties in other terms. The models captured some of the timing of interannual global terrestrial carbon exchange during 1988-2004 based on comparison with atmospheric inversion results from TRANSCOM (r=0.66 for CASA' and r=0.73 for CN). Adding (CASA') or improving (CN) the representation of deforestation fires may further increase agreement with the atmospheric record. Information from C-LAMP has enhanced model performance within CCSM and serves as a benchmark for future development. We propose that an open source, community-wide platform for model-data intercomparison is needed to speed model development and to strengthen ties between modeling and measurement communities. Important next steps include the design and analysis of land use change simulations (in both uncoupled and coupled modes), and the entrainment of additional ecological and earth system observations. Model results from C-LAMP are publicly available on the Earth System Grid. C1 [Randerson, James T.; Nevison, Cynthia D.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. [Hoffman, Forrest M.] Oak Ridge Natl Lab, Computat Earth Sci Grp, Oak Ridge, TN 37831 USA. [Thornton, Peter E.; Lindsay, Keith; Lee, Yen-Huei; Bonan, Gordon] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Thornton, Peter E.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Mahowald, Natalie M.] Cornell Univ, Dept Earth & Atmospher Sci, Ithaca, NY 14850 USA. [Nevison, Cynthia D.] Univ Colorado, Inst Arctic & Alpine Res, Boulder, CO 80309 USA. [Doney, Scott C.] Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA. [Stoeckli, Reto] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA. [Stoeckli, Reto] Fed Off Meteorol & Climatol, Climate Serv, CH-8044 Zurich, Switzerland. [Covey, Curtis] Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA. [Running, Steven W.] Univ Montana, Coll Forestry & Conservat, Numer Terradynam Simulat Grp, Missoula, MT 59812 USA. [Fung, Inez Y.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Fung, Inez Y.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. RP Randerson, JT (reprint author), Univ Calif Irvine, Dept Earth Syst Sci, Croul Hall, Irvine, CA 92697 USA. EM jranders@uci.edu RI Thornton, Peter/B-9145-2012; Doney, Scott/F-9247-2010; Mahowald, Natalie/D-8388-2013; Hoffman, Forrest/B-8667-2012 OI Thornton, Peter/0000-0002-4759-5158; Doney, Scott/0000-0002-3683-2437; Mahowald, Natalie/0000-0002-2873-997X; Hoffman, Forrest/0000-0001-5802-4134 FU Office of Biological and Environmental Research (OBER); Office of Advanced Scientific Computing Research (OASCR); US Department of Energy [DE-AC05-00OR22725, DE-AC52-07NA27344]; U.S. National Science Foundation (NSF); NASA [NNG04GK49G] FX We thank R. Cook from the Oak Ridge National Laboratory (ORNL) Distributed Active Archive Center and T. Boden from the ORNL Carbon Dioxide Information and Analysis Center for help accessing and interpreting the NPP and Ameriflux observations. We thank Ameriflux colleagues for making the level 4 observations publicly available and NOAA GMD for the atmospheric CO2 observations. We thank D. Baker for sharing the TRANSCOM interannual flux time series (and for providing updates through 2004) and Y. Malhi for sharing a preprint of his Amazon synthesis paper. This research was partially sponsored by the Climate Change Research Division (CCRD) of the Office of Biological and Environmental Research (OBER) and the Computational Science Research and Partnerships (SciDAC) Division of the Office of Advanced Scientific Computing Research (OASCR) within the US Department of Energy's Office of Science. This research used resources of the National Center for Computational Science at ORNL, which is managed by UT-Battelle, LLC, for the US Department of Energy under Contract No. DE-AC05-00OR22725. Part of this work was performed under auspices of the Office of Science, U.S. Department of Energy, at Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. The National Center for Atmospheric Research (NCAR) is sponsored by the U.S. National Science Foundation (NSF). Randerson, Mahowald, Doney, and Fung received support from NSF's Carbon and Water Initiative. The Global Fire Emissions Database (GFEDv2) was developed with support from NASA NNG04GK49G. NR 96 TC 182 Z9 187 U1 7 U2 118 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 EI 1365-2486 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD OCT PY 2009 VL 15 IS 10 BP 2462 EP 2484 DI 10.1111/j.1365-2486.2009.01912.x PG 23 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 491KO UT WOS:000269577800009 ER PT J AU Carriere, O Hermand, JP Candy, JV AF Carriere, Olivier Hermand, Jean-Pierre Candy, James V. TI Inversion for Time-Evolving Sound-Speed Field in a Shallow Ocean by Ensemble Kalman Filtering SO IEEE JOURNAL OF OCEANIC ENGINEERING LA English DT Article DE Coupled normal modes; empirical orthogonal function; ensemble Kalman filter (EnKF); model-based processor; range dependent; sound-speed estimation ID ACOUSTIC TOMOGRAPHY; BROAD-BAND; GEOACOUSTIC INVERSION; MODEL; WATER; ASSIMILATION; BOTTOM AB In the context of the recent Maritime Rapid Environmental Assessment/Blue Planet 2007 sea trial (MREA/BP07), this paper presents a range-resolving tomography method based on ensemble Kalman filtering of full-field acoustic measurements, dedicated to the monitoring of environmental parameters in coastal waters. The inverse problem is formulated in a state-space form wherein the time-varying sound-speed field (SSF) is assumed to follow a random walk with known statistics and the acoustic measurements are a nonlinear function of the SSF and the bottom properties. The state-space form enables a straightforward implementation of a nonlinear Kalman filter, leading to a data assimilation problem. Surface measurements augment the measurement vector to constrain the range-dependent structure of the SSF. Realistic scenarios of vertical slice shallow-water tomography experiments are simulated with an oceanic model, based on the MREA/BP07 experiment. Prior geoacoustic inversion on the same location gives the bottom acoustic properties that are input to the propagation model. Simulation results show that the proposed scheme enables the continuous tracking of the range-dependent SSF parameters and their associated uncertainties assimilating new measurements each hour. It is shown that ensemble methods are required to properly manage the nonlinearity of the model. The problem of the sensitivity to the vertical array (VA) configuration is also addressed. C1 [Carriere, Olivier; Hermand, Jean-Pierre] ULB, Ecole Polytech, Environm Hydroacoust Lab, B-1050 Brussels, Belgium. [Candy, James V.] Lawrence Livermore Natl Lab, Santa Barbara & Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Carriere, O (reprint author), ULB, Ecole Polytech, Environm Hydroacoust Lab, CP194-05, B-1050 Brussels, Belgium. EM jhermand@ulb.ac.be FU Fonds pour la formation 3 la Recherche dans I'Industrie et dans l'Agriculture (FRIA), Fonds de la Recherche Scientifique (FNRS), Belgium; European Seas Observatory Network (ESONET); European Commission; SINOBAD; Service Hydrographique de la Marine Francaise (SHOM) FX This work was supported by the Fonds pour la formation 3 la Recherche dans I'Industrie et dans l'Agriculture (FRIA), Fonds de la Recherche Scientifique (FNRS), Belgium, the European Seas Observatory Network (ESONET). Network of Excellence, European 6th Framework Programme, research priority 1.1.6.3 Global change and ecosystems. European Commission, and the SINOBAD project, Service Hydrographique de la Marine Francaise (SHOM). NR 38 TC 12 Z9 16 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0364-9059 J9 IEEE J OCEANIC ENG JI IEEE J. Ocean. Eng. PD OCT PY 2009 VL 34 IS 4 BP 586 EP 602 DI 10.1109/JOE.2009.2033954 PG 17 WC Engineering, Civil; Engineering, Ocean; Engineering, Electrical & Electronic; Oceanography SC Engineering; Oceanography GA 527RI UT WOS:000272383800021 ER PT J AU Wehner, M Oliker, L Shalf, J AF Wehner, Michael Oliker, Lenny Shalf, John TI A Real Cloud Computer SO IEEE SPECTRUM LA English DT Article C1 [Wehner, Michael; Oliker, Lenny; Shalf, John] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Wehner, M (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA USA. NR 0 TC 2 Z9 2 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9235 J9 IEEE SPECTRUM JI IEEE Spectr. PD OCT PY 2009 VL 46 IS 10 BP 24 EP 29 PG 6 WC Engineering, Electrical & Electronic SC Engineering GA 540WL UT WOS:000273371200014 ER PT J AU Turner, DD Cadeddu, MP Lohnert, U Crewell, S Vogelmann, AM AF Turner, David D. Cadeddu, Maria P. Loehnert, Ulrich Crewell, Susanne Vogelmann, Andrew M. TI Modifications to the Water Vapor Continuum in the Microwave Suggested by Ground-Based 150-GHz Observations SO IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING LA English DT Article DE Atmospheric measurements; microwave measurements; microwave propagation; microwave radiometry; remote sensing ID MILLIMETER-WAVE; SATELLITE MEASUREMENTS; CLOUD LIQUID; DRY BIAS; TEMPERATURE; RADIOMETRY; ABSORPTION; RETRIEVAL; PROFILES; PATH AB Ground-based observations from two different radiometers are used to evaluate commonly used microwave/millimeter-wave propagation models at 150 GHz. This frequency has strong sensitivity to changes in precipitable water vapor (PWV) and cloud liquid water. The observations were collected near Hesselbach, Germany, as part of the Atmospheric Radiation Measurement program's support of the General Observing Period and the Convective and Orographic Precipitation Study. The observations from the two radiometers agree well with each other, with a slope of 0.993 and a mean bias of 0.12 K. The observations demonstrate that the relative sensitivity of the different absorption models to PWV in clear-sky conditions at 150 GHz is significant and that four models differ significantly from the observed brightness temperature. These models were modified to get agreement with the 150-GHz observations, where the PWV ranged from 0.35 to 2.88 cm. The models were modified by adjusting the strength of the foreign-and self-broadened water vapor continuum coefficients, where the magnitude was model dependent. In all cases, the adjustment to the two components of the water vapor continuum was in opposite directions (i.e., increasing the contribution from the foreign-broadened component while decreasing contribution from the self-broadened component or vice versa). While the original models had significant disagreements relative to each other, the resulting modified models show much better agreement relative to each other throughout the microwave spectrum. The modified models were evaluated using independent observations at 31.4 GHz. C1 [Turner, David D.] Univ Wisconsin, Ctr Space Sci & Engn, Madison, WI 53706 USA. [Cadeddu, Maria P.] Argonne Natl Lab, Argonne, IL 60439 USA. [Loehnert, Ulrich; Crewell, Susanne] Univ Cologne, Inst Geophys & Meteorol, D-50923 Cologne, Germany. [Vogelmann, Andrew M.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. RP Turner, DD (reprint author), Univ Wisconsin, Ctr Space Sci & Engn, 1225 W Dayton St, Madison, WI 53706 USA. EM dturner@ssec.wisc.edu RI Lohnert, Ulrich/C-3303-2013; Crewell, Susanne/O-1640-2013; Vogelmann, Andrew/M-8779-2014 OI Lohnert, Ulrich/0000-0002-9023-0269; Crewell, Susanne/0000-0003-1251-5805; Vogelmann, Andrew/0000-0003-1918-5423 FU U.S. Department of Energy [DE-FG02-06ER64167]; German Research Foundation [WU356/4-2] FX This work was supported in part by the Environmental Sciences Division, Office of Biological and Environmental Research, Office of Science, U.S. Department of Energy, as part of the ARM program under Grant DE-FG02-06ER64167 to the University of Wisconsin-Madison and Grant B&R KP1205010 to Brookhaven National Laboratory and in part by the German Research Foundation under Grant WU356/4-2 to the University of Cologne. NR 46 TC 36 Z9 38 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0196-2892 J9 IEEE T GEOSCI REMOTE JI IEEE Trans. Geosci. Remote Sensing PD OCT PY 2009 VL 47 IS 10 BP 3326 EP 3337 DI 10.1109/TGRS.2009.2022262 PG 12 WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote Sensing; Imaging Science & Photographic Technology SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science & Photographic Technology GA 498JR UT WOS:000270136200004 ER PT J AU Quinn, HM Graham, PS Wirthlin, MJ Pratt, B Morgan, KS Caffrey, MP Krone, JB AF Quinn, Heather M. Graham, Paul S. Wirthlin, Michael J. Pratt, Brian Morgan, Keith S. Caffrey, Michael P. Krone, James B. TI A Test Methodology for Determining Space Readiness of Xilinx SRAM-Based FPGA Devices and Designs SO IEEE TRANSACTIONS ON INSTRUMENTATION AND MEASUREMENT LA English DT Article; Proceedings Paper CT 43rd Annual IEEE AUTOTESTCON Conference CY SEP 08-11, 2008 CL Salt Lake City, UT SP IEEE Aerosp & Elect Syst Soc DE Failure analysis; field-programmable gate arrays (FPGAs); reliability estimation; reliability testing; space technology ID RELIABILITY; SEU; CIRCUITS AB Using reconfigurable static random access memory (SRAM)-based field-programmable gate arrays (FPGAs) for space-based computation has been a very active area of research for the past decade. Because these commercially available devices are only radiation tolerant in terms of total ionizing dose and single-event latchup, these devices must be qualified for other types of single-event effects to be used in spacecraft. Furthermore, mission requirements often dictate the need to do radiation experiments on the FPGA user circuit. Because both the circuit and the circuit's state are stored in memory that is susceptible to single-event upsets, both could be altered by the harsh space radiation environment. Both the circuit and the circuit's state can be protected by triple-modular redundancy (TMR), but applying TMR to FPGA user designs is often an error-prone process. Faulty application of TMR could cause the FPGA user circuit to output incorrect data. This paper will describe both device-level static testing and user circuit dynamic testing, including a three-tiered methodology for testing FPGA user designs for space readiness. C1 [Quinn, Heather M.; Graham, Paul S.; Morgan, Keith S.; Caffrey, Michael P.; Krone, James B.] Los Alamos Natl Lab, ISR Space Data Syst 3, Los Alamos, NM 87545 USA. [Wirthlin, Michael J.; Pratt, Brian] Brigham Young Univ, Provo, UT 84602 USA. RP Quinn, HM (reprint author), Los Alamos Natl Lab, ISR Space Data Syst 3, Los Alamos, NM 87545 USA. EM hquinn@lanl.gov NR 32 TC 24 Z9 26 U1 0 U2 13 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9456 J9 IEEE T INSTRUM MEAS JI IEEE Trans. Instrum. Meas. PD OCT PY 2009 VL 58 IS 10 BP 3380 EP 3395 DI 10.1109/TIM.2009.2025469 PG 16 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 493XP UT WOS:000269772900004 ER PT J AU White, DA AF White, Daniel A. TI Using the Sherman-Morrison-Woodbury Formula for Coupling External Circuits With FEM for Simulation of Eddy Current Problems SO IEEE TRANSACTIONS ON MAGNETICS LA English DT Article; Proceedings Paper CT International Magnetics Conference 2009 (INTERMAG) CY MAY 04-08, 2009 CL Sacramento, CA SP IEEE DE Circuits; eddy currents; finite element; pulse power ID TRANSIENT; SYSTEMS AB Simulation of three-dimensional transient eddy current problems is important to numerous applications. The Finite Element Method (FEM) has proven be to be powerful numerical technique for solving the Partial Differential Equations (PDE) describing eddy currents. In order to solve the PDE, boundary conditions must be provided, and in many applications the boundary conditions are not known explicitly but can be provided by a Resistor-Inductor-Capacitor (RLC) circuit model. The emphasis of this paper is on an efficient and exact coupling of the RLC network equations with the FEM equations. The coupling is based on an exact linear algebra identity known as the Sherman-Morrison-Woodbury (SMW) formula. One advantage of this approach is that the FEM matrices are not modified. This is important if a fast "black-box" solver is available for the FEM matrices, these solvers typically require that the matrices have certain mathematical properties and these properties are not modified by the SMW approach. A second advantage is that the SMW approach is valid for an arbitrary number of independent external circuits. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP White, DA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM white37@llnl.gov NR 8 TC 2 Z9 2 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9464 J9 IEEE T MAGN JI IEEE Trans. Magn. PD OCT PY 2009 VL 45 IS 10 SI SI BP 3915 EP 3918 DI 10.1109/TMAG.2009.2022274 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 498OA UT WOS:000270149700130 ER PT J AU Barham, MI White, DA Steigmann, DJ Rudd, RE AF Barham, Matthew I. White, Dan A. Steigmann, David J. Rudd, Robert E. TI Finite-Element Modeling of the Deformation of a Thin Magnetoelastic Film Compared to a Membrane Model SO IEEE TRANSACTIONS ON MAGNETICS LA English DT Article; Proceedings Paper CT International Magnetics Conference 2009 (INTERMAG) CY MAY 04-08, 2009 CL Sacramento, CA SP IEEE DE Finite-element methods (FEMs); magnetic membrane; magnetoelasticity; microfluidics AB Recently, a new class of biocompatible elastic polymers loaded with small ferrous particles (magnetoelastomer) was developed at Lawrence Livermore National Laboratory, Livermore, CA. This new material was formed as a thin film using spin casting. The deformation of this material using a magnetic field has many possible applications to microfluidics. Two methods will be used to calculate the deformation of a circular magnetoelastomeric film subjected to a magnetic field. The first method is an arbitrary Lagrangian-Eulerian (ALE) finite-element method (FEM) and the second is based on nonlinear continuum electromagnetism and continuum elasticity in the membrane limit. The comparison of these two methods is used to test/validate the FEM. C1 [Barham, Matthew I.; Steigmann, David J.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Barham, Matthew I.; White, Dan A.; Rudd, Robert E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Barham, MI (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. EM barham2@llnl.gov NR 5 TC 10 Z9 10 U1 0 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9464 J9 IEEE T MAGN JI IEEE Trans. Magn. PD OCT PY 2009 VL 45 IS 10 SI SI BP 4124 EP 4127 DI 10.1109/TMAG.2009.2022319 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 498OA UT WOS:000270149700184 ER PT J AU Du, Y Xing, Q Wun-Fogle, M Restorff, JB Clark, AE Huang, M McQueeney, RJ Lograsso, TA AF Du, Y. Xing, Q. Wun-Fogle, M. Restorff, J. B. Clark, A. E. Huang, M. McQueeney, R. J. Lograsso, T. A. TI Determination of Structural Anisotropy of Stress-Annealed Fe80.5Ga19.5 SO IEEE TRANSACTIONS ON MAGNETICS LA English DT Article; Proceedings Paper CT International Magnetics Conference 2009 (INTERMAG) CY MAY 04-08, 2009 CL Sacramento, CA SP IEEE DE Galfenol alloy; induced magnetic anisotropy; magnetostriction; stress annealing ID FE-GA ALLOYS AB The origin of the induced magnetic anisotropy in stress-annealed single crystalline Fe80.5Ga19.5 was investigated by high energy X-ray diffuse scattering. A compressive stress was applied along [010] during annealing. Superlattice reflections associated with D0(3) chemical order were analyzed to clarify the origin of the stress-annealing-induced magnetic anisotropy. Results showed that the D0(3) precipitates in the microstructure exhibited long range ordering of Ga. These clusters were found not to have a crystallographic preference relative to the applied stress axis and no structural anisotropy could be detected. The results indicate that the induced anisotropy following stress annealing likely comes from the anisotropy of the magnetic domain alignment and is not related to the underlying microstructural features of the alloy. C1 [Du, Y.; McQueeney, R. J.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Du, Y.; Xing, Q.; Huang, M.; McQueeney, R. J.; Lograsso, T. A.] Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA. [Wun-Fogle, M.; Restorff, J. B.] USN, Ctr Surface Warfare, Carderock Div, Bethesda, MD 20817 USA. [Clark, A. E.] Clark Associates, Adelphi, MD USA. RP Du, Y (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. EM yzdu@iastate.edu RI McQueeney, Robert/A-2864-2016 OI McQueeney, Robert/0000-0003-0718-5602 NR 10 TC 0 Z9 1 U1 1 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9464 EI 1941-0069 J9 IEEE T MAGN JI IEEE Trans. Magn. PD OCT PY 2009 VL 45 IS 10 SI SI BP 4142 EP 4144 DI 10.1109/TMAG.2009.2024160 PG 3 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 498OA UT WOS:000270149700188 ER PT J AU Petculescu, G LeBlanc, JB Wun-Fogle, M Restorff, JB Burton, WC Cao, JX Wu, RQ Yuhasz, WM Lograsso, TA Clark, AE AF Petculescu, G. LeBlanc, J. B. Wun-Fogle, M. Restorff, J. B. Burton, W. C. Cao, J. X. Wu, R. Q. Yuhasz, W. M. Lograsso, T. A. Clark, A. E. TI Magnetoelasticity of Fe100-xGex(5 < x < 18) Single Crystals From 81 K to 300 K SO IEEE TRANSACTIONS ON MAGNETICS LA English DT Article; Proceedings Paper CT International Magnetics Conference 2009 (INTERMAG) CY MAY 04-08, 2009 CL Sacramento, CA SP IEEE DE Elastic constants; gallium alloys; germanium alloys; iron alloys; magnetoelasticity; magnetostriction ID SURFACES; ALLOYS; MAGNETOSTRICTION; CONSTANTS AB Temperature dependent magnetoelastic properties of Fe100-xGex(5 < x < 18) single crystals have been measured. Tetragonal magnetostriction (3/2)lambda(100) measurements at x = 5.7, 12.1, 14.9, and 17.7 were performed between 78 K and 426 K and resonant ultrasound spectroscopy measurements were used to determine the shear elastic constant c' from 5 K to 300 K for x = 6.4, 7.2, 10.8, 14.6, 17.7, and 17.9. A clear distinction was observed between the temperature dependencies of lambda(100) for the A2 and D0(3) phases of Fe100-xGex. The elastic constant c' displays a monotonic decrease with concentration through the different phases (6 < x < 18) and at all temperatures. Experimental values of the tetragonal magnetoelastic coupling constant -b(1) at 81 K were remarkably consistent with theoretical values determined by density functional calculations at 0 K. C1 [Petculescu, G.; LeBlanc, J. B.] Univ Louisiana Lafayette, Dept Phys, Lafayette, LA 70504 USA. [Wun-Fogle, M.; Restorff, J. B.] USN, Ctr Surface Warfare, Carderock Div, Bethesda, MD 20817 USA. [Burton, W. C.] Montgomery Blair Magnet Program, Silver Spring, MD 20901 USA. [Cao, J. X.; Wu, R. Q.] Univ Calif Irvine, Dept Phys, Irvine, CA 92697 USA. [Yuhasz, W. M.; Lograsso, T. A.] Ames Lab, Ames, IA 50011 USA. [Clark, A. E.] Clark Associates, Adelphi, MD 20783 USA. RP Petculescu, G (reprint author), Univ Louisiana Lafayette, Dept Phys, Lafayette, LA 70504 USA. EM gp@louisiana.edu RI Yuhasz, William/C-9418-2009; Wu, Ruqian/C-1395-2013; Cao, Juexian/C-7345-2015 OI Wu, Ruqian/0000-0002-6156-7874; NR 13 TC 8 Z9 8 U1 1 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9464 J9 IEEE T MAGN JI IEEE Trans. Magn. PD OCT PY 2009 VL 45 IS 10 SI SI BP 4149 EP 4152 DI 10.1109/TMAG.2009.2025969 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 498OA UT WOS:000270149700190 ER PT J AU Hassan, SSA Xu, YB Wu, J Zheng, JG Huang, JYY Huang, YZ Damsgaard, CD Hansen, JB Jacobsen, CS AF Hassan, Sameh S. A. Xu, Yongbing Wu, Jing Zheng, Jian-Guo Huang, Jianyu Y. Huang, Yizhong Damsgaard, Christian D. Hansen, Jorn B. Jacobsen, Claus S. TI The Properties and Structure Relationship of Half Metallic Magnetic Materials on GaAs SO IEEE TRANSACTIONS ON MAGNETICS LA English DT Article; Proceedings Paper CT International Magnetics Conference 2009 (INTERMAG) CY MAY 04-08, 2009 CL Sacramento, CA SP IEEE DE Gallium arsenide (GaAs); Heusler alloys; magnetic oxides; magnetite; molecular-beam epitaxy; spintronics; ultra-thin films ID HIGH-TEMPERATURE PHASE; HETEROEPITAXIAL MAGNETITE; ELECTRONIC-STRUCTURE; VERWEY TRANSITION; HEUSLER ALLOYS; SPIN-VALVE; THIN-FILMS; FE3O4; ANISOTROPY; EVOLUTION AB We report the magnetic and transport properties of two promising half metallic/GaAs hybrid spintronic structures with respect to their structural features. The Co MnGa/GaAs(100) has shown a very low magnetic moment which is attributed to the columnar structure and the interface amorphous layer as from the HRTEM images. The out of plane hysteresis loops have shown a double switching which is related to the interface layer with different magnetic properties. In the Fe3O4/GaAs(100) system, the fast saturation of the magnetization indicates the low antiphase boundaries, which is supported by the HRTEM image. Furthermore, the moderate barrier height and the heavily damped processional response to the applied field pulses may be related to the interface structure. C1 [Hassan, Sameh S. A.; Xu, Yongbing] Univ York, Dept Elect, Spintron & Nanodevice Lab, York YO10 5DD, N Yorkshire, England. [Hassan, Sameh S. A.] Natl Res Ctr, Dept Solid State Phys, Cairo, Egypt. [Wu, Jing] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England. [Zheng, Jian-Guo] Univ Calif Irvine, LEXI Calit2, Ctr Mat Characterizat, Irvine, CA 92697 USA. [Huang, Jianyu Y.] Sandia Natl Labs, Ctr Integrated Nanotechnol CINT, Albuquerque, NM 87185 USA. [Huang, Yizhong] Univ Oxford, Dept Mat, Oxford OX1 3PH, England. [Damsgaard, Christian D.; Hansen, Jorn B.; Jacobsen, Claus S.] Tech Univ Denmark, Dept Phys & Micro & Nanotechnol, DK-2800 Lyngby, Denmark. RP Xu, YB (reprint author), Univ York, Dept Elect, Spintron & Nanodevice Lab, York YO10 5DD, N Yorkshire, England. EM Yx2@york.ac.uk RI Jacobsen, Claus/A-5896-2011; Huang Yizhong, .Yizhong/A-2252-2011; Damsgaard, Christian/B-3744-2013; Hansen, Jorn/A-7815-2011 OI Damsgaard, Christian/0000-0002-3117-8616; Hansen, Jorn/0000-0003-2138-0324 NR 39 TC 2 Z9 2 U1 2 U2 19 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9464 EI 1941-0069 J9 IEEE T MAGN JI IEEE Trans. Magn. PD OCT PY 2009 VL 45 IS 10 SI SI BP 4360 EP 4363 DI 10.1109/TMAG.2009.2024768 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 498OA UT WOS:000270149700245 ER PT J AU Kim, DH Rozhkova, EA Rajh, T Bader, SD Novosad, V AF Kim, Dong-Hyun Rozhkova, Elena A. Rajh, Tijana Bader, Samuel D. Novosad, Valentyn TI Synthesis of Hybrid Gold/Iron Oxide Nanoparticles in Block Copolymer Micelles for Imaging, Drug Delivery, and Magnetic Hyperthermia SO IEEE TRANSACTIONS ON MAGNETICS LA English DT Article; Proceedings Paper CT International Magnetics Conference 2009 (INTERMAG) CY MAY 04-08, 2009 CL Sacramento, CA SP IEEE DE Drug delivery; gold nanoparticles; hybrid nanoparticles; hyperthermia; magnetic nanoparticles ID SHELL NANOPARTICLES; POLYMERIC MICELLES AB In our study, hybrid gold/iron oxide loaded thermoresponsive micelles were synthesized for combined hyperthermia and chemotherapy, and optical imaging. Polymeric micelles made of amphiphilic block copolymer of poly(N-isopropylacrylamide-co-acrylamide)-block-poly(epsilon-caprolactone) were conjugated with gold/iron oxide particles which are self-assembled at the hydrophobic polymer core. Thermal sensitivity and magnetic and optical properties of the hybrid gold/iron oxide micelles were investigated for the combined therapy and optical imaging. C1 [Kim, Dong-Hyun; Bader, Samuel D.; Novosad, Valentyn] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Rozhkova, Elena A.; Rajh, Tijana; Bader, Samuel D.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Novosad, V (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM novosad@anl.gov RI Bader, Samuel/A-2995-2013; Novosad, Valentyn/C-2018-2014; Novosad, V /J-4843-2015; OI Kim, Dong-Hyun/0000-0001-6815-3319 NR 17 TC 13 Z9 13 U1 5 U2 21 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9464 J9 IEEE T MAGN JI IEEE Trans. Magn. PD OCT PY 2009 VL 45 IS 10 SI SI BP 4821 EP 4824 DI 10.1109/TMAG.2009.2024000 PG 4 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 498OA UT WOS:000270149700360 ER PT J AU Xie, QG Kao, CM Wang, X Guo, N Zhu, CG Frisch, H Moses, WW Chen, CT AF Xie, Qingguo Kao, Chien-Min Wang, Xi Guo, Ning Zhu, Caigang Frisch, Henry Moses, William W. Chen, Chin-Tu TI Potentials of Digitally Sampling Scintillation Pulses in Timing Determination in PET SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Digital signal processing (DSP); positron emission tomography (PET); scintillation pulse ID FRONT-END ELECTRONICS; RESOLUTION; SCANNER; PERFORMANCE; DISCRIMINATION; IMPLEMENTATION AB We investigate the potentials of digitally sampling scintillation pulses techniques for positron emission tomography (PET) in this paper, focusing on the determination of the event time. We have built, and continue building, a digital library of PET event waveforms generated with various combinations of photo-detectors and scintillator materials, with various crystal sizes. Events in this digital library are obtained at a high sampling of 20 GSps (Giga-samples per second) so that their waveforms are recorded with high accuracy. To explore the potential advantages of digitally sampling scintillation pulses, we employ a dataset in the above-mentioned library to evaluate two methods for digitizing the event pulses and linear interpolation techniques to analyze the resulting digital samples. Our results show that the two digitization methods that we studied can yield a coincidence timing resolution of about 300 ps FWHM when applied to events generated by a pair of LSO + PMT detector units. This timing resolution is comparable with that is achieved by the same detector pair with a constant fraction discriminator (CFD). As a benchmark, regular-time sampling (RTS) method, usually implemented with very fast traditional analog-to-digital converters (ADCs) for digitizing scintillation pulses, is not feasible for a multi-channel system like a PET system. Digitizing scintillation pulses with multi-voltage threshold (MVT) method could be implemented at a reasonable cost for a PET system. With digitized PET event samples, various digital signal processing (DSP) techniques can be implemented to determine event arrival time. Our results have therefore demonstrated the promising potentials of digitally sampling scintillation pulses techniques in PET imaging. C1 [Xie, Qingguo] Wuhan Natl Lab Optoelect, Wuhan 430074, Hubei, Peoples R China. [Xie, Qingguo; Wang, Xi; Guo, Ning; Zhu, Caigang] Huazhong Univ Sci & Technol, Dept Biomed Engn, Wuhan 430074, Hubei, Peoples R China. [Kao, Chien-Min; Chen, Chin-Tu] Univ Chicago, Dept Radiol, Chicago, IL 60637 USA. [Frisch, Henry] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Moses, William W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Xie, QG (reprint author), Wuhan Natl Lab Optoelect, Wuhan 430074, Hubei, Peoples R China. EM qgxie@ieee.org RI Chen, Chin-Tu/K-3393-2014 FU UChicago Argonne [2006-075-NO]; ACS-IRG [6-9512]; NIH [R01 EB000225, R33 EB001928, R01 EB006085]; NSF [PHY04-5668, 60602028]; DOE [DE FG02-06, ER 41426]; Ministry of Science and Technology (China) [2009 DFR30580]; Ministry of Education (China) [107073]; The Argonne and Lawrence Berkeley National Laboratories; Office of Science of the Department of Energy [DF-AC02-06CH11357, DE-AC02-05CH11231] FX This work was supported in part by a UChicago Argonne internal Grant LDRD #2006-075-NO. in part by the ACS-IRG Grant 6-9512. in part by the NIH Grants R01 EB000225, R33 EB001928, and R01 EB006085, in part by the NSF Grant PHY04-5668. in pail by the DOE Grant DE FG02-06 ER 41426, in part by the NSF (China) Grant 60602028. in part by the Ministry of Science and Technology (China) Grant 2009 DFR30580. and in part by the Ministry of Education (China) Grant 107073 The Argonne and Lawrence Berkeley National Laboratories were supported by the Office of Science of the Department of Energy under Contract DF-AC02-06CH11357 and DE-AC02-05CH11231. NR 18 TC 32 Z9 33 U1 1 U2 12 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD OCT PY 2009 VL 56 IS 5 BP 2607 EP 2613 DI 10.1109/TNS.2009.2023656 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 510OW UT WOS:000271100400008 PM 20376278 ER PT J AU Huber, JS Peng, QY Moses, WW AF Huber, Jennifer S. Peng, Qiyu Moses, William W. TI Multi-Modality Phantom Development SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Magnetic resonance imaging; positron emission tomography; ultrasound; x-ray computed tomography ID ACOUSTIC PROPERTIES; MIMICKING AB Multi-modality imaging has an increasing role in the diagnosis and treatment of a large number of diseases, particularly if both functional and anatomical information are acquired and accurately co-registered. Hence, there is a resulting need for multi-modality phantoms in order to validate image co-registration and calibrate the imaging systems. We present our PET-ultrasound phantom development, including PET and ultrasound images of a simple prostate phantom. We use agar and gelatin mixed with a radioactive solution. We also present our development of custom multi-modality phantoms that are compatible with PET, transrectal ultrasound (TRUS), MRI and CT imaging. We describe both our selection of tissue mimicking materials and phantom construction procedures. These custom PET-TRUS-CT-MRI prostate phantoms use agar-gelatin radioactive mixtures with additional contrast agents and preservatives. We show multi-modality images of these custom prostate phantoms, as well as discuss phantom construction alternatives. Although we are currently focused on prostate imaging, this phantom development is applicable to many multi-modality imaging applications. C1 [Huber, Jennifer S.; Peng, Qiyu; Moses, William W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Huber, JS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM jshuber@lbl.gov RI peng, qiyu/G-1586-2013 FU US. Department of Energy [DE-AC02-05CH11231]; Department of Defense [W81XWH-07-1-0020] FX This work was supported in part by the Director. Office of Science. Office of Biological and Environmental Research, Medical Science Division of the US. Department of Energy under Contract DE-AC02-05CH11231, and in part by Department of Defense under Grant W81XWH-07-1-0020 NR 5 TC 8 Z9 8 U1 1 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD OCT PY 2009 VL 56 IS 5 BP 2722 EP 2727 DI 10.1109/TNS.2009.2028073 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 510OW UT WOS:000271100400022 ER PT J AU Avdic, S Marinkovic, P Pozzi, SA Flaska, M Protopopescu, V AF Avdic, Senada Marinkovic, Predrag Pozzi, Sara A. Flaska, Marek Protopopescu, Vladimir TI Identification of Neutron Sources by Spectral Analysis of Pulse Height Distributions SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Neutron source identification; pulse height distribution; scintillation detector; spectral analysis ID SCINTILLATION DETECTORS; MONTE-CARLO; CODE AB This paper proposes a neutron source identification method based on the spectral analysis of neutron pulse height distributions obtained with liquid scintillation detectors. The fact that shielded and unshielded neutron sources have clearly defined spectral components with specific locations and intensities offers the possibility of identifying the sources based on spectral features alone, without having to unfold the energy spectra. Analysis of simulated and experimental data confirms that this new identification method is promising, and that good resolution power can be achieved. C1 [Avdic, Senada] Univ Tuzla, Dept Phys, Tuzla 75000, Bosnia & Herceg. [Marinkovic, Predrag] Univ Belgrade, Fac Elect Engn, Belgrade 11000, Serbia. [Pozzi, Sara A.; Flaska, Marek] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. [Protopopescu, Vladimir] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. RP Avdic, S (reprint author), Univ Tuzla, Dept Phys, Tuzla 75000, Bosnia & Herceg. EM mflaska@umich.edu FU Oak Ridge National Laboratory (ORNL); LLC with the U. S. Department of Energy [DE-AC05-00OR22725] FX Manuscript received June 30, 2008, revised September 26, 2008 Current version published October 07, 2009. This work was supported by the Oak Ridge National Laboratory (ORNL) which is managed by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U. S. Department of Energy NR 9 TC 3 Z9 3 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD OCT PY 2009 VL 56 IS 5 BP 2796 EP 2801 DI 10.1109/TNS.2009.2022367 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 510OX UT WOS:000271100600002 ER PT J AU Conway, AM Wang, TF Deo, N Cheung, CL Nikolic, RJ AF Conway, Adam M. Wang, Tzu F. Deo, Nimanlendu Cheung, Chin L. Nikolic, Rebecca J. TI Numerical Simulations of Pillar Structured Solid State Thermal Neutron Detector: Efficiency and Gamma Discrimination SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Monte Carlo simulation; neutron detector; semiconductor device modeling; solid state detectors ID CRYSTALLINE SILICON; CHARGE AB This paper reports numerical simulations of a three-dimensionally integrated, Boron-10 ((10)B) and Silicon p+, intrinsic, n+ (PIN) diode micropillar array for thermal neutron detection. The inter-digitated device structure has a high probability of interaction between the Si PIN pillars and the charged particles (alpha and (7)Li) created from the neutron-(10)B reaction. In this paper, the effect of both the 3-D geometry (including pillar width, separation and height) and energy loss mechanisms are investigated via simulations to predict the neutron detection efficiency and gamma discrimination of this structure. The simulation results are demonstrated to compare well with the experimental data available at this time, for 7- and 12-mu m tall micropillar arrays. This indicates that upon scaling the pillar height, a high efficiency thermal neutron detector is possible. C1 [Conway, Adam M.; Wang, Tzu F.; Nikolic, Rebecca J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Deo, Nimanlendu; Cheung, Chin L.] Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA. RP Conway, AM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM conway8@llnl.gov; ndeo@unl.edu; ccheun.g2@unl.edu; nikolic1@llnl.gov RI Cheung, Chin Li/B-8270-2013 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344, LLNL-JRNL-405025] FX Manuscript received July 07, 2008; revised January 28, 2009, February 25, 2009, and April 09, 2009 Current version published October 07, 2006. This work supported by the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, LLNL-JRNL-405025 NR 22 TC 18 Z9 18 U1 1 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD OCT PY 2009 VL 56 IS 5 BP 2802 EP 2807 DI 10.1109/TNS.2009.2021474 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 510OX UT WOS:000271100600003 ER PT J AU Carini, GA Chen, W De Geronimo, G Gaskin, JA Keister, JW Li, Z Ramsey, BD Rehak, P Siddons, DP AF Carini, Gabriella A. Chen, Wei De Geronimo, Gianluigi Gaskin, Jessica A. Keister, Jeffrey W. Li, Zheng Ramsey, Brian D. Rehak, Pavel Siddons, David P. TI Performance of a Thin-window Silicon Drift Detector X-Ray Fluorescence Spectrometer SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Bias voltage; silicon drift detector with hexagonal shaped cathode; thin rectifying p-n junction entrance window with minimum "dead" layer silicon; X-ray energy spectrum ID SPECTROSCOPY AB Several sets of hexagonal Silicon Drift Detector (SDD) arrays were produced by Brookhaven National Laboratory (BNL) and by the commercial vendor, KETEK. These detector arrays were tested at BNL. Each array consists of 14 independent SDD detectors (pixels) and two additional test pixels located at two corners of the array. The side of the detector upon which the X-ray radiation is incident (window side) has a thin junction covering the entire active area. The opposite side (device side) contains a drift-field electrode structure in the form of a hexagonal spiral and an electron collecting anode. There are four guard rings surrounding the 14-pixel array area on each side of the detector. Within each array, seven pixels have aluminum field plates - interrupted spirals (hat stabilize the electric potential under the Si-SiO(2) interface, while the other seven do not. Three bias voltages are applied to control the drift field in the silicon volume; one is applied to a rectifying contact surrounding the central anode (one for each pixel), one is applied to the detector entrance window (common to the full array), and a third Was is applied to a contact oil the outer portion of the spiral, common to all pixels in the array. Some arrays were recently tested in NSLS beam line U3C at BNL. For this work, we installed the complete assemblies in the vacuum and cooled them to -27 degrees C. During this beam run. we collected spectra for energies ranging between 350 and 900 eV in several pixels, some with field plates and others without. The detailed testing results of several arrays are reported here. C1 [Carini, Gabriella A.; Chen, Wei; De Geronimo, Gianluigi; Keister, Jeffrey W.; Li, Zheng; Rehak, Pavel; Siddons, David P.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Gaskin, Jessica A.; Ramsey, Brian D.] NASA, MSFC, Natl Space Sci & Technol Ctr, Huntsville, AL 35805 USA. RP Carini, GA (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. FU U. S. Department of Energy [DE-AC02-98CH 10886]; NASA Research Opportunities in Space and Earth Science; Planetary Instrument Definition and Development Program FX Manuscript received March 29, 2009, revised June 23, 2009. Current version published October 07, 2009. This work was supported in part by the U. S. Department of Energy under Contract DE-AC02-98CH 10886 and by the NASA Research Opportunities in Space and Earth Science, Planetary Instrument Definition and Development Program NR 14 TC 17 Z9 17 U1 0 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD OCT PY 2009 VL 56 IS 5 BP 2843 EP 2849 DI 10.1109/TNS.2009.2028574 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 510OX UT WOS:000271100600009 ER PT J AU Codispoti, G Mattia, C Fanfani, A Fanzago, F Farina, F Kavka, C Lacaprara, S Miccio, V Spiga, D Vaandering, E AF Codispoti, Giuseppe Mattia, Cinquilli Fanfani, Alessandra Fanzago, Federica Farina, Fabio Kavka, Carlos Lacaprara, Stefano Miccio, Vincenzo Spiga, Daniele Vaandering, Eric TI CRAB: A CMS Application for Distributed Analysis SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Computing; computing applications; data analysis; distributed computing; grid computing ID DESIGN AB Beginning, in 2009, the CMS experiment will produce several petabytes of data each year which will be distributed over many computing centres geographically distributed in different countries. The CMS computing model defines how the data is to be distributed and accessed to enable physicists to efficiently run their analyses over the data. The analysis will be performed in a distributed way using Grid infrastructure. CRAB (CMS Remote Analysis Builder) is a specific tool, designed and developed by the CMS collaboration, that allows the end user to transparently access distributed data. CRAB interacts with the local user environment, the CMS Data Management services and with the Grid middleware; it takes care of the data and resource discovery; it splits the user's task into several processes (jobs) and distributes and parallelizes them over different Grid environments; it performs process tracking and output handling. Very limited knowledge of the underlying technical details is required of the end user. The tool can be used as a direct interface to the computing system or can delegate the task to a server, which takes care of the Job handling, providing services such as automatic resubmission in case of failures and notification to the user of the task status. Its current implementation is able to interact with gLite and OSG Grid middlewares. Furthermore, with the same interface, it enables access to local data and batch systems such as Load Sharing Facility (LSF). CRAB has been in production and in routine use by end users since Spring 2004. It has been extensively used in studies to prepare the Physics Technical Design Report, in the analysis of reconstructed event samples generated during the Computing Software and Analysis Challenges and in the preliminary cosmic ray data taking. The CRAB architecture and the usage inside the CMS community will be described in detail, as well as the current status and future development. C1 [Codispoti, Giuseppe; Fanfani, Alessandra; Fanzago, Federica; Miccio, Vincenzo] Ist Nazl Fis Nucl, CNAF, I-40127 Bologna, Italy. [Codispoti, Giuseppe; Fanfani, Alessandra] Univ Bologna, I-40127 Bologna, Italy. [Mattia, Cinquilli; Spiga, Daniele] Ist Nazl Fis Nucl, I-06123 Perugia, Italy. [Fanzago, Federica; Farina, Fabio; Miccio, Vincenzo; Spiga, Daniele] CERN, CH-1211 Geneva, Switzerland. [Farina, Fabio] INFN Milano Bicocca, I-20126 Milan, Italy. [Kavka, Carlos] Ist Nazl Fis Nucl, I-34127 Trieste, Italy. [Lacaprara, Stefano] Ist Nazl Fis Nucl, I-35020 Legnaro, Italy. [Vaandering, Eric] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Codispoti, G (reprint author), Ist Nazl Fis Nucl, CNAF, I-40127 Bologna, Italy. EM fanzago@cern.ch; fabio.farina@cern.ch; StefanoLacaprara@pd.infn.it RI Farina, Fabio/A-4299-2010; Codispoti, Giuseppe/F-6574-2014 OI Codispoti, Giuseppe/0000-0003-0217-7021 NR 30 TC 10 Z9 10 U1 0 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 EI 1558-1578 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD OCT PY 2009 VL 56 IS 5 BP 2850 EP 2858 DI 10.1109/TNS.2009.2028076 PN 2 PG 9 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 510OX UT WOS:000271100600010 ER PT J AU Petrosky, JC McClory, JW Gray, TE Uhlman, TA AF Petrosky, James C. McClory, John W. Gray, Thomas E. Uhlman, Troy A. TI Trap Assisted Tunneling Induced Currents in Neutron Irradiated AlGaN/GaN HFETs SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE HFET; GaN; neutron radiation effects; tunneling ID ELECTRON-MOBILITY TRANSISTORS AB AlGaN/GaN HFET's were cooled to similar to 85 K and irradiated to a fluence of 10(12) n/cm(2) (1 MeV equivalent) and gate currents measured. The observed increased gate leakage current was studied by curve-fitting a 4-parameter thermionic trap assisted tunneling model to the experimental measurements. The model parameters were constrained and a least-squares fitting routine was applied to best fit the gate current's voltage and temperature dependence. The results were used to provide an interpretation of the physical changes to the HFET gate following neutron irradiation. The fitting showed that Schottky barrier lowering plays a minor role in post irradiation gate leakage, and trap density and mean trap energy were the dominant post irradiation gate leakage parameters. The similar to 25% increase in trap density and similar to 7 mV increase in mean trap energy indicated that neutron elastic collisions produce additional non-native defects within the AlGaN gate region. C1 [Petrosky, James C.; McClory, John W.] USAF, Inst Technol, Wright Patterson AFB, OH 45433 USA. [Gray, Thomas E.] USSTRATCOM, Offutt AFB, NE 68113 USA. [Uhlman, Troy A.] DOE Washington, NNSA, Washington, DC USA. RP Petrosky, JC (reprint author), USAF, Inst Technol, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA. OI McClory, John/0000-0002-4303-2729 FU Defense Threat Reduction Agency FX Manuscript received July 13, 2008, revised November 28, 2008 Current version published October 07, 2009. This work was supported in part by the Defense Threat Reduction Agency NR 13 TC 9 Z9 9 U1 1 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD OCT PY 2009 VL 56 IS 5 BP 2905 EP 2909 DI 10.1109/TNS.2008.2011807 PG 5 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 510OX UT WOS:000271100600017 ER PT J AU Su, GJ Tang, LX AF Su, Gui-Jia Tang, Lixin TI A Reduced-Part, Triple-Voltage DCDC Converter for EV/HEV Power Management SO IEEE TRANSACTIONS ON POWER ELECTRONICS LA English DT Article DE Electric vehicles (EV)/hybrid electric vehicle (HEV) power management; multivoltage-bus dc-dc converter; soft switching ID FUEL-CELL AB Electrical power systems in future hybrid and fuel cell vehicles may consist of three voltage nets: 14 V, 42 V, and high voltage (>200 V) buses. A soft-switched, bidirectional dc-dc converter that uses only four switches was proposed for interconnecting the three nets. This paper(1) presents a reduced-part dc-dc converter, which decreases the converter cost while retaining all the favorable features of the original topology. Experimental data are included to verify a simple power flow control scheme. C1 [Su, Gui-Jia; Tang, Lixin] Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. RP Su, GJ (reprint author), Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN 37932 USA. EM sugj@ornl.gov; lixin.tang@ieee.org RI Tang, Lixin/B-9242-2009 OI Tang, Lixin/0000-0001-8361-8196 FU U.S. Department of Energy [DE-AC05-00OR22725]; U.S. Government [DE-AC05-00OR22725] FX Prepared by Oak Ridge National Laboratory, managed by UT-Battelle, Limited Liability Company, for the U.S. Department of Energy under Contract DE-AC05-00OR22725. The submitted manuscript has been authored by a contractor of the U.S. Government under Contract DE-AC05-00OR22725. Accordingly, the U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U. S. Government purposes. NR 17 TC 30 Z9 31 U1 4 U2 12 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0885-8993 J9 IEEE T POWER ELECTR JI IEEE Trans. Power Electron. PD OCT PY 2009 VL 24 IS 10 BP 2406 EP 2410 DI 10.1109/TPEL.2009.2026989 PG 5 WC Engineering, Electrical & Electronic SC Engineering GA 506CT UT WOS:000270751700001 ER PT J AU Hsueh, CH Bei, H Liu, CT George, EP Becher, PF AF Hsueh, C. H. Bei, H. Liu, C. T. George, E. P. Becher, P. F. TI Controlled normal/shear loading and shear fracture in bulk metallic glasses SO INTERMETALLICS LA English DT Article DE Glasses, metallic; Fracture stress ID AMORPHOUS-ALLOYS; DUCTILE REINFORCEMENT; MECHANICAL-PROPERTIES; HYDROSTATIC-PRESSURE; MATRIX COMPOSITE; FLOW; BEHAVIOR AB Limited plasticity inhibits the engineering applications of bulk metallic glasses (BMGs), which often deform by the formation of localized shear bands. Overcoming the brittleness of BMGs necessitates advances in our understanding of the mechanisms of shear band initiation and propagation. Up to now, a major hurdle has been the ability to control the generation of shear bands and the associated fracture (e.g., by conventional uniaxial loading). Here we demonstrate a unique loading fixture that allows one not only to control the locations of shear band formation and shear fracture but also to alter the ratio of the normal to shear stress on the fracture plane. The capability of altering the stress ratio allows one to systematically examine how the normal stress affects shear fracture of BMGs. While some preliminary results with limited data have been presented in a prior publication, a comprehensive description of the unique test fixture is described here. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Hsueh, C. H.] Natl Taiwan Univ, Dept Mat Sci & Engn, Taipei 106, Taiwan. [Hsueh, C. H.; Bei, H.; Liu, C. T.; George, E. P.; Becher, P. F.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Hsueh, C. H.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Bei, H.; Liu, C. T.; George, E. P.; Becher, P. F.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Liu, C. T.] Hong Kong Polytech Univ, Dept Mech Engn, Hung Tom Kowloon, Hong Kong, Peoples R China. RP Hsueh, CH (reprint author), Natl Taiwan Univ, Dept Mat Sci & Engn, Taipei 106, Taiwan. EM hsuehc@ornl.gov RI Hsueh, Chun-Hway/G-1345-2011; George, Easo/L-5434-2014; OI Bei, Hongbin/0000-0003-0283-7990 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory [DE-AC05-00OR22725]; National Science Council, Taiwan [NSC96-2811-E-002-022] FX The authors thank Prof G. Chen and Dr. A. Gali for reviewing this article. This work was jointly supported by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (CHH, CTQ and U.S. Department of Energy, Division of Materials Sciences and Engineering (HB, PFB, EPG) under contract DE-AC05-00OR22725 with UT-Battelle, LLC. CHH also acknowledges the partial support from National Science Council, Taiwan under Contract No. NSC96-2811-E-002-022. NR 24 TC 7 Z9 8 U1 0 U2 14 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0966-9795 J9 INTERMETALLICS JI Intermetallics PD OCT PY 2009 VL 17 IS 10 BP 802 EP 810 DI 10.1016/j.intermet.2009.03.008 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 470KW UT WOS:000267974600006 ER PT J AU Richardson, CD Hinman, NW Scott, JR AF Richardson, C. Doc Hinman, Nancy W. Scott, Jill R. TI Effect of thenardite on the direct detection of aromatic amino acids: implications for the search for life in the solar system SO INTERNATIONAL JOURNAL OF ASTROBIOLOGY LA English DT Article DE aromatic amino acids; biosignature; Europa; FTICR-MS; GALDI; geomatrix; Mars; thenardite ID ASSISTED-LASER-DESORPTION/IONIZATION; TRANSFORM MASS-SPECTROMETRY; INFRARED MAPPING SPECTROMETER; HYDRATED SALT MINERALS; TIME-OF-FLIGHT; EUROPAS SURFACE; VIKING MISSION; GAS-PHASE; MARS; MATRIX AB With the discovery of Na-sulphate minerals on Mars and Europa, recent studies using these minerals have focused on their ability to assist in the detection of bio/organic signatures. This study further investigates the ability of thenardite (Na2SO4) to effectively facilitate the ionization and identification of aromatic amino acids (phenylalanine, tyrosine and tryptophan) using a technique called geomatrix-assisted laser desorption/ionization in conjunction with a Fourier transform ion cyclotron resonance mass spectrometry. This technique is based on the ability of a mineral host to facilitate desorption and ionization of bio/organic molecules for detection. Spectra obtained from each aromatic amino acid alone and in combination with thenardite show differences in ionization mechanism and fragmentation patterns. These differences are due to chemical and structural differences between the aromatic side chains of their respective amino acid. Tyrosine and tryptophan when combined with thenardite were observed to undergo cation-attachment ([M + Na](+)), due to the high alkali ion affinity of their aromatic side chains. In addition, substitution of the carboxyl group hydrogen by sodium led to formation of [M-H + Na]Na+ peaks. In contrast, phenylalanine mixed with thenardite showed no evidence of Na+ attachment. Understanding how co-deposition of amino acids with thenardite can affect the observed mass spectra is important for future exploration missions that are likely to use laser desorption mass spectrometry to search for bio/organic compounds in extraterrestrial environments. C1 [Richardson, C. Doc; Hinman, Nancy W.] Univ Montana, Dept Geosci, Missoula, MT 59812 USA. [Scott, Jill R.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Richardson, CD (reprint author), Univ Montana, Dept Geosci, 32 Campus Dr 1296, Missoula, MT 59812 USA. EM Jill.Scott@inl.gov RI Scott, Jill/G-7275-2012 FU National Aeronautics and Space Agency (NASA) Exobiology Program [NNX08AP59G]; Montana Space Grant Consortium; Idaho National Laboratory under DOE Idaho Operations Office [DE-AC07-051D14517] FX The authors acknowledge support from the National Aeronautics and Space Agency (NASA) Exobiology Program (NNX08AP59G). CDR would also like to thank Montana Space Grant Consortium for support. Research performed at the Idaho National Laboratory under DOE Idaho Operations Office Contract DE-AC07-051D14517. NR 70 TC 4 Z9 4 U1 1 U2 10 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1473-5504 EI 1475-3006 J9 INT J ASTROBIOL JI Int. J. Astrobiol. PD OCT PY 2009 VL 8 IS 4 BP 291 EP 300 DI 10.1017/S1473550409990231 PG 10 WC Astronomy & Astrophysics; Biology; Geosciences, Multidisciplinary SC Astronomy & Astrophysics; Life Sciences & Biomedicine - Other Topics; Geology GA 541AU UT WOS:000273383800004 ER PT J AU Yapaulo, RA Wirojsakunchai, E Orita, T Foster, DE Akard, M Walker, LR Lance, MJ AF Yapaulo, R. A. Wirojsakunchai, E. Orita, T. Foster, D. E. Akard, M. Walker, L. R. Lance, M. J. TI Impact of filtration velocities and particulate matter characteristics on diesel particulate filter wall loading SO INTERNATIONAL JOURNAL OF ENGINE RESEARCH LA English DT Article DE particulate matter; diesel particulate filter; diesel particulate wall loading ID OXIDATION; ARTIFACTS; CONTACT; SOOT AB The impact of different types of diesel particulate matter (PM) and different sampling conditions on the wall deposition and early soot cake build-up within diesel particulate filters has been investigated. The measurements were made possible by a newly developed diesel exhaust filtration analysis system in which in-situ diesel exhaust filtration can be reproduced within small cordierite wafer disks, which are essentially thin sections of a diesel particulate filter wall. The different types of PM were generated from selected engine operating conditions of a single-cylinder heavy-duty diesel engine. Two filtration velocities 4 and 8 cm/s were used to investigate PM deep-bed filtration processes. The loaded wafers were then analysed in a thermal mass analyser that measures the soluble organic fraction as well as soot and sulphate fractions of the PM. In addition, the soot residing in the wall of the wafer was examined under an optical microscope illuminated. With ultraviolet light and a variable pressure scanning electron microscope to determine the bulk soot penetration depth for each loading condition. It was found that a higher filtration velocity results in a higher wall loading with approximately the same penetration depth into the wall. PM characteristics impacted both wall loading and soot cake layer characteristics. Results from imaging analysis indicate that the soot penetration depth into the wall was affected more by PM characteristics (which changes with engine operating conditions) than by filtration velocity. C1 [Yapaulo, R. A.; Wirojsakunchai, E.; Orita, T.; Foster, D. E.] Univ Wisconsin, Engine Res Ctr, Madison, WI 53706 USA. [Akard, M.] Horiba Instruments Inc, Ann Arbor, MI USA. [Walker, L. R.; Lance, M. J.] Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN USA. RP Foster, DE (reprint author), Univ Wisconsin, Engine Res Ctr, 1500 Engn Dr, Madison, WI 53706 USA. EM foster@engr.wisc.edu RI Lance, Michael/I-8417-2016 OI Lance, Michael/0000-0001-5167-5452 FU Corning Inc.; Johnson Matthey Japan Inc.; Horiba Instruments Inc.; Cummins Inc.; BP Amoco; Nippon Oil Corporation; Komatsu Ltd; Assistant Secretary for Energy Efficiency and Renewable Energy; Vehicle Technologies Program; High Temperature Materials Laboratory User Program; Oak Ridge National Laboratory; US Department of Energy [DE-AC05-00OR22725] FX The authors wish to thank Corning Inc., Johnson Matthey Japan Inc., Horiba Instruments Inc., Cummins Inc., BP Amoco, Nippon Oil Corporation, and Komatsu Ltd for their support throughout the course of this research. The authors also wish to thank the following individuals for providing invaluable technical Support for this study: Dr Yuming Xie (formerly at Corning Inc.), Dr Hideaki Muraki and Dr Geng Zhang of Johnson Matthey Japan Inc., Dr Masayuki Adachi and Neal Harvey of Horiba Instruments Inc., Dr Z. Gerald Liu of Cummins Filtration, and Ricardo Martinez of BP Amoco. A special thank you goes to Christopher Kolodziej of Universidad Politecnica de Valencia for the assistance in the development of the DEFA and Andrea Strzelec of Oak Ridge National Laboratory for performing the SOF Microwave Extraction analysis experiments. Imaging activities in this research study were sponsored by the Assistant Secretary for Energy Efficiency and Renewable Energy, Vehicle Technologies Program, as part of the High Temperature Materials Laboratory User Program, Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy under contract number DE-AC05-00OR22725. NR 24 TC 11 Z9 11 U1 1 U2 9 PU PROFESSIONAL ENGINEERING PUBLISHING LTD PI WESTMINISTER PA 1 BIRDCAGE WALK, WESTMINISTER SW1H 9JJ, ENGLAND SN 1468-0874 J9 INT J ENGINE RES JI Int. J. Engine Res. PD OCT PY 2009 VL 10 IS 5 BP 287 EP 304 DI 10.1243/14680874JER03509 PG 18 WC Thermodynamics; Engineering, Mechanical; Transportation Science & Technology SC Thermodynamics; Engineering; Transportation GA 511ZQ UT WOS:000271211800003 ER PT J AU Kromer, MA Joseck, F Rhodes, T Guernsey, M Marcinkoski, J AF Kromer, Matthew A. Joseck, Fred Rhodes, Todd Guernsey, Matthew Marcinkoski, Jason TI Evaluation of a platinum leasing program for fuel cell vehicles SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Fuel cell vehicles; Platinum; Leasing AB This paper evaluates the feasibility of a platinum leasing program for future fuel-cell vehicles (FCVs) in the United States. By internalizing the residual value of platinum in the vehicle's upfront cost, a platinum lease may offer cost savings to the consumer. Several leasing scenarios were evaluated to estimate potential cash savings. The study concludes that under ideal conditions, the upfront price of platinum could be reduced by 40% compared to a no-lease scenario. However, even small increases in the lease rate greatly reduce these savings. The benefits depend on the extent to which lending risks are minimized, and on the vehicle's platinum loading. These benefits will be greatest during initial stages of market penetration, when the technology is less proven and platinum loadings are highest. To ensure low lease rates, governmental support is likely necessary, both to minimize risk exposure and borrowing costs, and to optimize platinum recovery. (c) 2009 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved. C1 [Kromer, Matthew A.; Guernsey, Matthew] TIAX LLC, Cambridge, MA 02140 USA. [Joseck, Fred; Marcinkoski, Jason] US DOE, Hydrogen Program, Washington, DC 20585 USA. RP Kromer, MA (reprint author), TIAX LLC, 15 Acorn Pk Dr, Cambridge, MA 02140 USA. EM matthew.kromer@gmail.com NR 32 TC 13 Z9 13 U1 1 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD OCT PY 2009 VL 34 IS 19 BP 8276 EP 8288 DI 10.1016/j.ijhydene.2009.06.052 PG 13 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 513WL UT WOS:000271354700047 ER PT J AU Marda, JR DiBenedetto, J McKibben, S Evans, RJ Czernik, S French, RJ Dean, AM AF Marda, Jonathan R. DiBenedetto, Joelle McKibben, Shannon Evans, Robert J. Czernik, Stefan French, Richard J. Dean, Anthony M. TI Non-catalytic partial oxidation of bio-oil to synthesis gas for distributed hydrogen production SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Bio-oil; Biomass; Distributed hydrogen production; Partial oxidation ID BIOMASS-DERIVED OIL; POLYCYCLIC-AROMATIC-HYDROCARBONS; SEQUENTIAL CATALYTIC CRACKING; NOBLE-METAL CATALYSTS; FAST-PYROLYSIS OIL; ACETIC-ACID; MODEL-COMPOUND; STEAM; FUEL; GASIFICATION AB A system has been developed for the volatilization and conversion of a bio-oil mixed with methanol to synthesis gas via non-catalytic partial oxidation (NPOX) using an ultrasonic nozzle to feed the mixture. Such a process would be ideal for distributed H(2) production. The feedstock used was derived from poplar wood. The effects of both temperature (from 625 to 850 degrees C) and added oxygen (effective O:C ratio from 0.7 to 1.6) on the yields of CO and H(2) have been explored. High yields of CO (between 50% and 70% of the maximum possible from the bio-oil) have been observed. Hydrogen yields are much lower (similar to 25% of the maximum possible). However, the water formed during NPOX can be used to generate additional H(2). The bio-oil carbon to gas conversion is typically between 85% and 95% for optimal conditions. Due to this significant conversion, lower catalyst loadings are expected to be required for the downstream processing. (c) 2009 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved. C1 [Marda, Jonathan R.; DiBenedetto, Joelle; McKibben, Shannon; Evans, Robert J.; Dean, Anthony M.] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. [DiBenedetto, Joelle; McKibben, Shannon; Evans, Robert J.; Czernik, Stefan; French, Richard J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Dean, AM (reprint author), Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. EM amdean@mines.edu RI Dean, Anthony/A-8590-2009; OI Mckibben, Shannon/0000-0003-3964-4068 FU Hydrogen Fuel Cell and Infrastructure Technology Program of the US DOE FX The authors gratefully acknowledge the financial support from the Hydrogen Fuel Cell and Infrastructure Technology Program of the US DOE. NR 44 TC 21 Z9 22 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD OCT PY 2009 VL 34 IS 20 BP 8519 EP 8534 DI 10.1016/j.ijhydene.2009.07.099 PG 16 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 511PA UT WOS:000271177200008 ER PT J AU Koukouzas, N Gemeni, V Ziock, HJ AF Koukouzas, N. Gemeni, V. Ziock, H. J. TI Sequestration of CO2 in magnesium silicates, in Western Macedonia, Greece SO INTERNATIONAL JOURNAL OF MINERAL PROCESSING LA English DT Article DE Mineral carbonation; Dunite; Vourinos; Western Macedonia; Greece ID VOURINOS AB Carbonation of magnesium seems to be an interesting option for long term storage of captured CO2. This paper provides an approach to sequestration of carbon dioxide in magnesium silicates using ultramafic rocks from the mountain of Vourinos, in Western Macedonia, Greece. For the experimental procedure five samples were used, consisted of dunite, hartzburgite and pyroxenite. The carbonation method chosen is the aqueous scheme. The results showed low (only about 10% of the stoichiometrically possible amount) transformation into magnesium carbonates for the majority of the samples. Insufficient reaction time, the particle size, or improper choice of reaction conditions are may be some of the reasons for the small amounts of carbonation observed. Further studies are needed in order to identify the various issues that were responsible. (C) 2009 Elsevier B.V. All rights reserved. C1 [Ziock, H. J.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Koukouzas, N (reprint author), Mesogeion Ave 357-359, GR-15231 Athens, Greece. EM koukouzas@certh.gr; gemeni@certh.gr; ziock@lanl.gov NR 14 TC 16 Z9 20 U1 0 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-7516 J9 INT J MINER PROCESS JI Int. J. Miner. Process. PD OCT 1 PY 2009 VL 93 IS 2 BP 179 EP 186 DI 10.1016/j.minpro.2009.07.013 PG 8 WC Engineering, Chemical; Mineralogy; Mining & Mineral Processing SC Engineering; Mineralogy; Mining & Mineral Processing GA 513WY UT WOS:000271356000013 ER PT J AU Miller, GA Arrington, J AF Miller, Gerald A. Arrington, John TI THE INCLUSIVE-EXCLUSIVE CONNECTION AND THE NEUTRON NEGATIVE CENTRAL CHARGE DENSITY SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Review DE Electromagnetic from factors; generalized parton distributions; transverse charge densities ID GENERALIZED PARTON DISTRIBUTIONS; ELECTROMAGNETIC FORM-FACTORS; IMPACT PARAMETER SPACE; SYMMETRY BREAKING; NUCLEON; SCATTERING; PROTON; MODEL AB We find an interpretation of the recent finding that the central charge density of the neutron is negative by using models of generalized parton distributions at zero skewness to relate the behavior of deep inelastic scattering quark distributions, evaluated at high x, to the transverse charge density evaluated at small distances. The key physical input of these models is the Drell-Yan-West relation We find that the d quarks dominate the neutron structure function for large values of Bjorken x, where the large longitudinal momentum of the struck quark has a significant impact on determining the center-of-momentum of the system, and thus the "center" of the nucleon in the transverse position plane. C1 [Miller, Gerald A.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Arrington, John] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Miller, GA (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. EM miller@phys.washington.edu; johna@anl.gov RI Arrington, John/D-1116-2012 OI Arrington, John/0000-0002-0702-1328 FU U.S. Department of Energy, Office of Nuclear Physics [FG02-97ER41014, DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Nuclear Physics, under contracts FG02-97ER41014 and DE-AC02-06CH11357. We thank D. Geesaman, R. Holt, P. Kroll, C. Roberts, M. Vanderhaeghen, and B. Wojtsekhowski for useful discussions. We thank the ECT* for hosting a workshop where many of the calculations we present were performed. NR 35 TC 1 Z9 1 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD OCT PY 2009 VL 18 IS 9 BP 1809 EP 1824 DI 10.1142/S0218301309013877 PG 16 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 520RM UT WOS:000271863900001 ER PT J AU Valluri, A North, MJ Macal, CM AF Valluri, Annapurna North, Michael J. Macal, Charles M. TI REINFORCEMENT LEARNING IN SUPPLY CHAINS SO INTERNATIONAL JOURNAL OF NEURAL SYSTEMS LA English DT Article DE Reinforcement learning; supply chain management; agent-based modeling ID TD-GAMMON; BEER GAME; PLAY; MANAGEMENT; MODEL; UNCERTAINTY AB Effective management of supply chains creates value and can strategically position companies. In practice, human beings have been found to be both surprisingly successful and disappointingly inept at managing supply chains. The related fields of cognitive psychology and artificial intelligence have postulated a variety of potential mechanisms to explain this behavior. One of the leading candidates is reinforcement learning. This paper applies agent-based modeling to investigate the comparative behavioral consequences of three simple reinforcement learning algorithms in a multi-stage supply chain. For the first time, our findings show that the specific algorithm that is employed can have dramatic effects on the results obtained. Reinforcement learning is found to be valuable in multi-stage supply chains with several learning agents, as independent agents can learn to coordinate their behavior. However, learning in multi-stage supply chains using these postulated approaches from cognitive psychology and artificial intelligence take extremely long time periods to achieve stability which raises questions about their ability to explain behavior in real supply chains. The fact that it takes thousands of periods for agents to learn in this simple multi-agent setting provides new evidence that real world decision makers are unlikely to be using strict reinforcement learning in practice. C1 [North, Michael J.; Macal, Charles M.] Argonne Natl Lab, Argonne, IL 60439 USA. [Valluri, Annapurna] Univ Penn, Wharton Sch Business, Philadelphia, PA 19104 USA. RP North, MJ (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM avalluri@gmail.com; north@anl.gov; macal@anl.gov NR 47 TC 8 Z9 9 U1 1 U2 17 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0129-0657 J9 INT J NEURAL SYST JI Int. J. Neural Syst. PD OCT PY 2009 VL 19 IS 5 BP 331 EP 344 PG 14 WC Computer Science, Artificial Intelligence SC Computer Science GA 517NO UT WOS:000271621900002 PM 19885962 ER PT J AU Sun, X Choi, KS Liu, WN Khaleel, MA AF Sun, X. Choi, K. S. Liu, W. N. Khaleel, M. A. TI Predicting failure modes and ductility of dual phase steels using plastic strain localization SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Dual phase steel; Microstructure; Ductile fracture; Failure mode; Micromechanical model ID ORTHOTROPIC SHEET METALS; MARTENSITIC-TRANSFORMATION; NEUTRON-DIFFRACTION; STRENGTH STEELS; FERRITE CONTENT; VOID GROWTH; FRACTURE; BEHAVIOR; DEFORMATION; DAMAGE AB Ductile failure of metals is often treated as the result of void nucleation, growth and coalescence. Various criteria have been proposed to capture this failure mechanism for various materials. In this study, ductile failure of dual phase steels is predicted in the form of plastic strain localization resulting from the incompatible deformation between the harder martensite phase and the softer ferrite matrix. Microstructure-level inhomogeneity serves as the initial imperfection triggering the instability in the form of plastic strain localization during the deformation process. Failure modes and ultimate ductility of two dual phase steels are analyzed using finite element analyses based on the actual steel microstructures. The plastic work hardening properties for the constituent phases are determined by the in-situ synchrotron-based high-energy X-ray diffraction technique. Under different loading conditions, different failure modes and ultimate ductility are predicted in the form of plastic strain localization. It is found that the local failure mode and ultimate ductility of dual phase steels are closely related to the stress state in the material. Under plane stress condition with free lateral boundary, one dominant shear band develops and leads to final failure of the material. However, if the lateral boundary is constrained, splitting failure perpendicular to the loading direction is predicted with much reduced ductility. On the other hand, under plane strain loading condition, commonly observed necking phenomenon is predicted which leads to the final failure of the material. These predictions are in reasonably good agreement with experimental observations. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Sun, X.; Choi, K. S.; Liu, W. N.; Khaleel, M. A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Sun, X (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM xin.sun@pnl.gov OI khaleel, mohammad/0000-0001-7048-0749 FU US Department of Energy [DE-AC05-76RL01830] FX Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the US Department of Energy under Contract No. DE-AC05-76RL01830. This work was funded by the Department of Energy Office of FreedomCAR and Vehicle Technologies under the Automotive Lightweighting Materials Program managed by Dr. Joseph Carpenter. The helps of Dr. Yan-Dong Wang of Northeastern University in China and Dr. Yang Ren of Argonne National Laboratory in the in-situ HEXRD part of this work are also greatly appreciated. The authors would also like to acknowledge the help of Mr. John Serkowski and Mr. Tao Fu for their help in generating the finite element mesh. NR 57 TC 145 Z9 147 U1 11 U2 76 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 EI 1879-2154 J9 INT J PLASTICITY JI Int. J. Plast. PD OCT PY 2009 VL 25 IS 10 BP 1888 EP 1909 DI 10.1016/j.ijplas.2008.12.012 PG 22 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 536BN UT WOS:000273017300004 ER PT J AU Zhu, XK Lam, PS Chao, YJ AF Zhu, X. K. Lam, P. S. Chao, Y. J. TI Application of normalization method to fracture resistance testing for storage tank A285 carbon steel SO INTERNATIONAL JOURNAL OF PRESSURE VESSELS AND PIPING LA English DT Article DE Fracture toughness; J-R curve; Normalization method; Potential drop method; Constraint effect; J-A(2) theory; A285 carbon steel ID J-R CURVES; CRACK-GROWTH; SPECIMENS AB To determine the fracture resistance and its constraint effect for storage tank A285 carbon steel, a set of single edge notched bend (SENB) specimens with different crack lengths are tested under the guideline of ASTM standard E1820. Normalization method is adopted to develop J-R curves by directly using the load versus load-line displacement data without the need for online crack size measurement. For validation, the conventional electric potential drop method is also used to monitor crack extension, and to determine the J-R curves. The results indicate that the crack extension,J-R curves and fracture initiation toughness determined from both methods are nearly identical for the SENB specimens considered. The J-R curves obtained from the A285 SENB specimens show a strong dependence on crack size or fracture constraint. In reference to the J-A(2) fracture theory, the constraint effect is quantified by a constraint parameter A(2). Through experimental and numerical analyses of the specimens, a constraint-corrected J-R curve is obtained as a function of crack extension and the constraint parameter A(2). It is concluded that the normalization method is valid and cost-effective for the determination of J-R curves from both standard and nonstandard SENB specimens. In addition, the parameter A(2) can reasonably quantify the constraint effect on the experimental J-R curves. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Zhu, X. K.] Battelle Mem Inst, Columbus, OH 43201 USA. [Lam, P. S.] Savannah River Natl Lab, Aiken, SC 29808 USA. [Chao, Y. J.] Univ S Carolina, Dept Mech Engn, Columbia, SC 29208 USA. RP Zhu, XK (reprint author), Battelle Mem Inst, 505 King Ave, Columbus, OH 43201 USA. EM zhux@battelle.org; ps.lam@srnl.doe.gov; chao@sc.edu FU U.S. Department of Energy (DOE) [DE-AC09-96SR18500, DE-AC09-08SR22470] FX XKZ acknowledges the support from an internal R&D project at Battelle. PSL acknowledges the support from the U.S. Department of Energy (DOE) Office of Science Environmental Management Science Program (EMSP), and from DOE under Contract No. DE-AC09-96SR18500 to the Washington Savannah River Company, LLC and Contract No. DE-AC09-08SR22470 to the Savannah River Nuclear Solutions, LLC. The authors wish to thank Dr. Michael J. Morgan and Mr. Glenn K. Chapman of the Savannah River National Laboratory for conducting the fracture testing. NR 25 TC 9 Z9 16 U1 1 U2 3 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0308-0161 J9 INT J PRES VES PIP JI Int. J. Pressure Vessels Pip. PD OCT PY 2009 VL 86 IS 10 BP 669 EP 676 DI 10.1016/j.ijpvp.2009.03.009 PG 8 WC Engineering, Multidisciplinary; Engineering, Mechanical SC Engineering GA 491RY UT WOS:000269598300004 ER PT J AU Guo, JH AF Guo, Jinghua TI Interface Science in Nanoparticles: An Electronic Structure View of Photon-In/Photon-Out Soft-X-Ray Spectroscopy SO INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY LA English DT Article; Proceedings Paper CT 5th International Workshop DV-Xa - Materials Science and X-Ray Spectroscopy CY 2008 CL Univ Hyogo, Himeji, JAPAN HO Univ Hyogo DE X-ray spectroscopy; nanomaterials; TiO2; Co crystals ID TRANSITION-METAL COMPOUNDS; POLARIZATION DEPENDENCE; COLLOIDAL NANOCRYSTALS; ABSORPTION; SIZE; COBALT; TIO2; SCATTERING; SYMMETRY; SPECTRA AB The ability to control the particle size and morphology of nanoparticles is of crucial importance nowadays both from a fundamental and industrial point of view considering nanostructured 3d metal compounds in the applications of solar photovoltaic, sunlight water splitting and photoelectrochemical cells, chemical and biosensors, etc. In the soft X-ray region, the question tends to be, what are the electrons doing as they migrated between the atoms? Soft-X-ray absorption and emission spectroscopy have basic features that are important to interface science. X-ray is originating from an electronic transition between a localized core state and a valence state that makes this probe localized to one specific atomic site and gives the method chemical state sensitivity and further, particular symmetry information. The possibility to select the energy of the excitation has created an extra degree of freedom and opens a new field of study by disclosing many new possibilities of soft-X-ray resonant inelastic scattering. In this presentation, recent findings regarding X-ray spectroscopic studies of various nanomaterials are presented. Also, in situ characterization of nanocrystal suspensions demonstrated the way for real-time studies of nanomaterial growth and chemical reactions. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2714-2721, 2009 C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Guo, JH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. EM jguo@lbl.gov NR 42 TC 3 Z9 3 U1 1 U2 12 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0020-7608 J9 INT J QUANTUM CHEM JI Int. J. Quantum Chem. PD OCT PY 2009 VL 109 IS 12 SI SI BP 2714 EP 2721 DI 10.1002/qua.22174 PG 8 WC Chemistry, Physical; Mathematics, Interdisciplinary Applications; Physics, Atomic, Molecular & Chemical SC Chemistry; Mathematics; Physics GA 488VO UT WOS:000269378600009 ER PT J AU Shimomura, K Muramatsu, Y Denlinger, JD Gullikson, EM AF Shimomura, Kenta Muramatsu, Yasuji Denlinger, Jonathan D. Gullikson, Eric M. TI High-Resolution Soft X-Ray Spectral Analysis in the CK Region of Titanium Carbide Using the DV-X alpha Molecular Orbital Method SO INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY LA English DT Article; Proceedings Paper CT 5th International Workshop DV-Xa - Materials Science and X-Ray Spectroscopy CY 2008 CL Univ Hyogo, Himeji, JAPAN HO Univ Hyogo DE titanium carbide; soft X-ray spectroscopy; electronic structure; chemical analysis; DV-X alpha ID CLUSTER CALCULATIONS; EMISSION AB We used the discrete variational (DV)-X alpha method to analyze the high-resolution soft X-ray emission and absorption spectra in the CK region of titanium carbide (TiC). The spectral profiles of the X-ray emission and absorption can be successfully reproduced by the occupied and unoccupied density of states (DOS), respectively, in the C2p orbitals of the center carbon atoms in a Ti(62)C(63) cluster model, suggesting that the center carbon atom in a large cluster model expanded to the cubic-structured 5(3) (= 125) atoms provides sufficient DOS for the X-ray spectral analysis of rock-salt structured metal carbides. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2722-2727, 2009 C1 [Shimomura, Kenta; Muramatsu, Yasuji] Univ Hyogo, Grad Sch Engn, Himeji, Hyogo 6712201, Japan. [Denlinger, Jonathan D.; Gullikson, Eric M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Shimomura, K (reprint author), Univ Hyogo, Grad Sch Engn, 2167 Shosha, Himeji, Hyogo 6712201, Japan. EM et08r020@steng.u-hyogo.ac.jp; murama@eng.u-hyogo.ac.jp NR 16 TC 1 Z9 1 U1 1 U2 3 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0020-7608 J9 INT J QUANTUM CHEM JI Int. J. Quantum Chem. PD OCT PY 2009 VL 109 IS 12 BP 2722 EP 2727 DI 10.1002/qua.22082 PG 6 WC Chemistry, Physical; Mathematics, Interdisciplinary Applications; Physics, Atomic, Molecular & Chemical SC Chemistry; Mathematics; Physics GA 488VO UT WOS:000269378600010 ER PT J AU Melnichenko, YB Wignall, GD AF Melnichenko, Y. B. Wignall, G. D. TI Density and Volume Fraction of Supercritical CO2 in Pores of Native and Oxidized Aerogels SO INTERNATIONAL JOURNAL OF THERMOPHYSICS LA English DT Article DE Adsorption; Aerogels; Carbon dioxide; Small-angle neutron scattering ID SMALL-ANGLE SCATTERING; ADSORPTION-ISOTHERMS; CARBON-DIOXIDE; SILICA AEROGEL; COAL; NANOPORES; SORPTION; SYSTEM AB The density and volume fraction of an adsorbed phase of carbon dioxide (CO2) in aerogels was investigated using a formalism based on independent measurements of neutron transmission and small-angle neutron scattering from fluid-saturated absorbers (Rother et al. J. Phys. Chem. C 111, 15736 (2007)). The range of excess fluid pressures (0 < P < 8 MPa) and temperatures (T = 35A degrees C and 80A degrees C) corresponded to the supercritical regime above the critical temperature T (C) = 31.1A degrees C and critical density rho (C) = 0.468 g center dot cm(-3) of the bulk fluid. The results demonstrate that a porous aerogel matrix works to create an adsorbed phase with liquid-like fluid densities reaching similar to 1.1 g center dot cm(-3) and similar to 0.8 g center dot cm(-3) at T = 35A degrees C and 80A degrees C, respectively. Thus, despite the fact that the density and volume fraction of the adsorbed fluid both decrease with temperature, the dense adsorbed phase is still present in the aerogel at temperatures far exceeding the T (C). Heat treatment ("oxidation") of the aerogel at 500A degrees C for 2 h, which removes a significant fraction of the alkyl groups from the aerogel surface, has little effect on the adsorption properties. The observed reduction of the density and volume fraction of the adsorbed CO2 with temperature and its minor dependence on the surface modification are consistent with predictions of the pore-filling model. C1 [Melnichenko, Y. B.; Wignall, G. D.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RP Melnichenko, YB (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. EM melnichenkoy@ornl.gov OI Wignall, George/0000-0002-3876-3244 NR 27 TC 7 Z9 7 U1 1 U2 7 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0195-928X J9 INT J THERMOPHYS JI Int. J. Thermophys. PD OCT PY 2009 VL 30 IS 5 BP 1578 EP 1590 DI 10.1007/s10765-009-0630-2 PG 13 WC Thermodynamics; Chemistry, Physical; Mechanics; Physics, Applied SC Thermodynamics; Chemistry; Mechanics; Physics GA 514TC UT WOS:000271417500010 ER PT J AU Oh, T Li, JL Yoon, H Wachsman, ED AF Oh, Takkeun Li, Jianlin Yoon, Heesung Wachsman, Eric D. TI Stability of SrCe(0.9)Eu(0.1)O(3-delta) and SrZr(0.2)Ce(0.7)Eu(0.1)O(3-delta) under H(2) atmospheres SO IONICS LA English DT Article DE SrCe(0.9)Eu(0.1)O(3-delta); SrZr(0.2)Ce(0.7)Eu(0.1)O(3-delta); Hydrogen membrane; Stability; Conductivity; Proton conductors; Perovskites ID TRANSPORT-PROPERTIES; DEFECT STRUCTURE; HYDROGEN PERMEABILITY; ELECTRICAL-PROPERTIES; SRCE0.95EU0.05O3-DELTA; CONDUCTORS; SEPARATION AB Previous H(2) permeation tests showed a degradation of H(2) permeation flux with time. To understand the cause of degradation and develop a solution, the stability of SrCe(0.9)Eu(0.1)O(3-delta) and SrZr(0.2)Ce(0.7)Eu(0.1)O(3-delta) samples were studied under dry and wet H2 atmospheres. Total conductivity of SrCe(0.9)Eu(0.1)O(3-delta) increased with time in dry H(2). The X-ray diffraction pattern of SrCe(0.9)Eu(0.1)O(3-delta) after dry hydrogen atmosphere heat treatments show CeO(2) peaks indicating that SrCe(0.9)Eu(0.1)O(3-delta) decomposes under dry H(2) atmospheres; scanning electron microscopy and energy dispersive X-ray spectroscopy analyses prove that decomposition proceeded along the grain boundaries. SrZr(0.2)Ce(0.7)Eu(0.1)O(3-delta) was investigated and demonstrated greater stability under dry hydrogen atmospheres. However, Zr substitution results in a tradeoff with electrical properties. C1 [Li, Jianlin; Yoon, Heesung; Wachsman, Eric D.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. [Oh, Takkeun] Pacific NW Natl Lab, Energy Mat & Mfg Grp, Richland, WA 99352 USA. RP Wachsman, ED (reprint author), Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. EM ewach@mse.ufl.edu RI Li, Jianlin/D-3476-2011 OI Li, Jianlin/0000-0002-8710-9847 FU NASA [NAG3-2930] FX This work was financially supported by NASA (NAG3-2930). NR 14 TC 8 Z9 8 U1 0 U2 6 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0947-7047 J9 IONICS JI Ionics PD OCT PY 2009 VL 15 IS 5 BP 525 EP 530 DI 10.1007/s11581-009-0349-x PG 6 WC Chemistry, Physical; Electrochemistry; Physics, Condensed Matter SC Chemistry; Electrochemistry; Physics GA 496EM UT WOS:000269952300001 ER PT J AU Penn, K Jenkins, C Nett, M Udwary, DW Gontang, EA McGlinchey, RP Foster, B Lapidus, A Podell, S Allen, EE Moore, BS Jensen, PR AF Penn, Kevin Jenkins, Caroline Nett, Markus Udwary, Daniel W. Gontang, Erin A. McGlinchey, Ryan P. Foster, Brian Lapidus, Alla Podell, Sheila Allen, Eric E. Moore, Bradley S. Jensen, Paul R. TI Genomic islands link secondary metabolism to functional adaptation in marine Actinobacteria SO ISME JOURNAL LA English DT Article DE comparative genomics; genomic islands; marine Actinobacteria; Salinispora; secondary metabolites ID ACTINOMYCETE SALINISPORA-TROPICA; GENE-TRANSFER; STREPTOMYCES-COELICOLOR; PROKARYOTES; PREDICTION; DIVERSITY; BACTERIOPLANKTON; IDENTIFICATION; ANTIBIOTICS; POPULATIONS AB Genomic islands have been shown to harbor functional traits that differentiate ecologically distinct populations of environmental bacteria. A comparative analysis of the complete genome sequences of the marine Actinobacteria Salinispora tropica and Salinispora arenicola reveals that 75% of the species-specific genes are located in 21 genomic islands. These islands are enriched in genes associated with secondary metabolite biosynthesis providing evidence that secondary metabolism is linked to functional adaptation. Secondary metabolism accounts for 8.8% and 10.9% of the genes in the S. tropica and S. arenicola genomes, respectively, and represents the major functional category of annotated genes that differentiates the two species. Genomic islands harbor all 25 of the species-specific biosynthetic pathways, the majority of which occur in S. arenicola and may contribute to the cosmopolitan distribution of this species. Genome evolution is dominated by gene duplication and acquisition, which in the case of secondary metabolism provide immediate opportunities for the production of new bioactive products. Evidence that secondary metabolic pathways are exchanged horizontally, coupled with earlier evidence for fixation among globally distributed populations, supports a functional role and suggests that the acquisition of natural product biosynthetic gene clusters represents a previously unrecognized force driving bacterial diversification. Species-specific differences observed in clustered regularly interspaced short palindromic repeat sequences suggest that S. arenicola may possess a higher level of phage immunity, whereas a highly duplicated family of polymorphic membrane proteins provides evidence for a new mechanism of marine adaptation in Gram-positive bacteria. The ISME Journal (2009) 3, 1193-1203; doi:10.1038/ismej.2009.58; published online 28 May 2009 C1 [Penn, Kevin; Jenkins, Caroline; Nett, Markus; Udwary, Daniel W.; Gontang, Erin A.; McGlinchey, Ryan P.; Podell, Sheila; Allen, Eric E.; Moore, Bradley S.; Jensen, Paul R.] Univ Calif San Diego, Ctr Marine Biotechnol & Biomed, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Foster, Brian; Lapidus, Alla] Lawrence Berkeley Natl Lab, Dept Energy, Joint Genome Inst, Walnut Creek, CA USA. [Moore, Bradley S.] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, La Jolla, CA 92093 USA. RP Jensen, PR (reprint author), Univ Calif San Diego, Ctr Marine Biotechnol & Biomed, Scripps Inst Oceanog, La Jolla, CA 92093 USA. EM bsmoore@ucsd.edu; pjensen@ucsd.edu RI Lapidus, Alla/I-4348-2013 OI Lapidus, Alla/0000-0003-0427-8731 FU California Sea Grant Program [R/NMP-98]; NOAA [NAO80AR4170669]; NIH [CA127622]; Gordon and Betty Moore Foundation FX This paper is dedicated to Professor William Fenical for his pioneering work on the secondary metabolites of marine actinomycetes. PRJ and BSM were funded by the California Sea Grant Program (R/NMP-98), NOAA Grant NAO80AR4170669 and the JGI Community Sequencing Program. Additional funding was from NIH Grant CA127622 to BSM and a post-doctoral fellowship from the DAAD to MN. EEA thanks the Gordon and Betty Moore Foundation for funding through CAMERA. We acknowledge Dr Jonathan Badger for assistance with APIS and Professor Terry Gaasterland for computational assistance. Genome sequences have been deposited in GenBank under accession numbers CP000667 (S. tropica) and CP000850 (S. arenicola). NR 56 TC 89 Z9 94 U1 3 U2 29 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1751-7362 J9 ISME J JI ISME J. PD OCT PY 2009 VL 3 IS 10 BP 1193 EP 1203 DI 10.1038/ismej.2009.58 PG 11 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 506NV UT WOS:000270783100008 PM 19474814 ER PT J AU Warner, CL Bruckner-Lea, CJ Grate, JW Straub, T Posakony, GJ Valentine, N Ozanich, R Bond, LJ Matzke, MM Dockendorff, B Valdez, C Valdez, P Owsley, S AF Warner, Cynthia L. Bruckner-Lea, Cynthia J. Grate, Jay W. Straub, Timothy Posakony, Gerald J. Valentine, Nancy Ozanich, Richard Bond, Leonard J. Matzke, Melissa M. Dockendorff, Brian Valdez, Catherine Valdez, Patrick Owsley, Stanley TI A Flow-Through Ultrasonic Lysis Module for the Disruption of Bacterial Spores SO JALA LA English DT Article DE spore; Bacillus; ultrasound; sonication; sequential injection analysis; automation ID SAMPLE PREPARATION METHOD; RENEWABLE MICROCOLUMNS; DNA ANALYSIS; CELL-LYSIS; SONICATION; INJECTION; TIME; PCR; AMPLIFICATION; PURIFICATION AB An automated, flow-through ultrasonic lysis module that is capable of disrupting bacterial spores to increase the DNA available for biodetection is described. The system uses a flow-through chamber that allows for direct injection of the sample without the need for a chemical or enzymatic pretreatment step to disrupt the spore coat before lysis. Lysis of Bacillus subtilis spores, a benign simulant of Bacillus anthracis, is achieved by flowing the sample through a tube whose axis is parallel to the faces of two transducers that deliver 10 W cm(-2) to the surface of the tube at 1.4-MHz frequency. Increases in amplifiable DNA were assessed by real-time PCR analysis that showed at least a 25-fold increase in amplifiable DNA after ultrasonic treatment with glass beads, compared with controls with no ultrasonic power applied. The ultrasonic system and integrated fluidics are designed as a module that could be incorporated into multistep, automated sample treatment and detection systems for pathogens. (JALA 2009;14:277-84) C1 [Warner, Cynthia L.; Bruckner-Lea, Cynthia J.; Grate, Jay W.; Straub, Timothy; Posakony, Gerald J.; Valentine, Nancy; Ozanich, Richard; Bond, Leonard J.; Matzke, Melissa M.; Dockendorff, Brian; Valdez, Catherine; Valdez, Patrick; Owsley, Stanley] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Warner, CL (reprint author), Pacific NW Natl Lab, POB 999,MS K4-12, Richland, WA 99352 USA. EM cynthia.warner@pnl.gov FU Chemical and Biological Countermeasures Division of the Department of Homeland Security Science and Technology Directorate; US DOE [DE-AC06-76RLO 1830] FX This work was supported by the Chemical and Biological Countermeasures Division of the Department of Homeland Security Science and Technology Directorate. The authors thank Bruce Arey for the SEM images, which were performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the US DOE under contract DE-AC06-76RLO 1830. NR 22 TC 7 Z9 7 U1 1 U2 9 PU ELSEVIER INC PI SAN DIEGO PA 525 B STREET, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1535-5535 J9 JALA-J LAB AUTOM JI JALA PD OCT PY 2009 VL 14 IS 5 BP 277 EP 284 DI 10.1016/j.jala.2009.04.007 PG 8 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 692OX UT WOS:000285163200006 ER PT J AU Wang, J AF Wang, Jian TI A fast integrated mobility spectrometer with wide dynamic size range: Theoretical analysis and numerical simulation SO JOURNAL OF AEROSOL SCIENCE LA English DT Article DE Fast integrated mobility spectrometer; Aerosol size distribution; High time resolution; Dynamic size range; Electrical mobility; Transfer function; Mobility resolution ID REAL-TIME MEASUREMENT; ANALYZER; RESOLUTION; COUNTER AB A fast integrated mobility spectrometer with wide size range (WSR-FIMS) is described. The WSR-FIMS greatly enhances the dynamic size range of the original FIMS [Kulkarni, P., & Wang, J. (2006a). New fast integrated mobility spectrometer for real-time measurement of aerosol size distribution-I: Concept and theory. Journal of Aerosol Science, 37, 1303-1325; Kulkarni, P., & Wang, J. (2006b). New fast integrated mobility spectrometer for real-time measurement of aerosol size distribution-II: Design, calibration, and performance characterization. journal of Aerosol Science, 37, 1326-1339] by employing a non-uniform electric field. The strength of this electric field varies over three orders of magnitude along the width of the separator, allowing particles of a much wider size range to be classified and measured simultaneously. A theoretical framework is developed to derive the transfer function, resolution, and transmission efficiency of the WSR-FIMS. Two representative operation configurations are simulated, and the results show the WSR-FIMS can simultaneously measure particles ranging from 10 to 1470 nm, therefore greatly reducing the measurement time from minutes required by scanning mobility particle sizer (SMPS) to 1 s or less. The WSR-FIMS also has a higher size resolution than typical SMPS over most of its measurement size range. For typical ambient aerosols, the simulations show that 1 s measurements using the WSR-FIMS provide good counting statistics. (C) 2009 Elsevier Ltd. All rights reserved. C1 Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. RP Wang, J (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. EM jian@bnl.gov RI Wang, Jian/G-9344-2011 FU US Department of Energy's Atmospheric Science Program (Office of Science, OBER) [DE-AC02-98CH10886] FX This work was supported by the US Department of Energy's Atmospheric Science Program (Office of Science, OBER) under contract DE-AC02-98CH10886. We thank Ernie Lewis for his constructive comments and suggestions. NR 16 TC 1 Z9 1 U1 3 U2 12 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0021-8502 J9 J AEROSOL SCI JI J. Aerosol. Sci. PD OCT PY 2009 VL 40 IS 10 BP 890 EP 906 DI 10.1016/j.jaerosci.2009.06.005 PG 17 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 504PT UT WOS:000270630000006 ER PT J AU Krayzman, V Levin, I Woicik, JC Proffen, T Vanderah, TA Tucker, MG AF Krayzman, V. Levin, I. Woicik, J. C. Proffen, Th. Vanderah, T. A. Tucker, M. G. TI A combined fit of total scattering and extended X-ray absorption fine structure data for local-structure determination in crystalline materials SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID EXAFS; SPECTROSCOPY; DIFFRACTION AB Reverse Monte Carlo (RMC) refinements of local structure using a simultaneous fit of X-ray/neutron total scattering and extended X-ray absorption fine structure (EXAFS) data were developed to incorporate an explicit treatment of both single-and multiple-scattering contributions to EXAFS. The refinement algorithm, implemented as an extension to the public domain computer software RMC Profile, enables accurate modeling of EXAFS over distances encompassing several coordination shells around the absorbing species. The approach was first tested on Ni, which exhibits extensive multiple scattering in EXAFS, and then applied to perovskite-like SrAl(1/2)Nb(1/2)O(3). This compound crystallizes with a cubic double-perovskite structure but presents a challenge for local-structure determination using a total pair-distribution function (PDF) alone because of overlapping peaks of the constituent partial PDFs ( e. g. Al-O and Nb-O or Sr-O and O-O). The results obtained here suggest that the combined use of the total scattering and EXAFS data provides sufficient constraints for RMC refinements to recover fine details of local structure in complex perovskites. Among other results, it was found that the probability density distribution for Sr in SrAl(1/2)Nb(1/2)O(3) adopts Td point-group symmetry for the Sr sites, determined by the ordered arrangement of Al and Nb, as opposed to a spherical distribution commonly assumed in traditional Rietveld refinements. C1 [Krayzman, V.; Levin, I.; Woicik, J. C.; Vanderah, T. A.] NIST, Div Ceram, Gaithersburg, MD 20899 USA. [Krayzman, V.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Proffen, Th.] Los Alamos Natl Lab, Lujan Neutron Ctr, Los Alamos, NM USA. [Tucker, M. G.] Rutherford Appleton Lab, ISIS, Didcot OX11 0QX, Oxon, England. RP Levin, I (reprint author), NIST, Div Ceram, Gaithersburg, MD 20899 USA. EM igor.levin@nist.gov RI Levin, Igor/F-8588-2010; Lujan Center, LANL/G-4896-2012; Proffen, Thomas/B-3585-2009; Tucker, Matt/C-9867-2016 OI Proffen, Thomas/0000-0002-1408-6031; Tucker, Matt/0000-0002-2891-7086 FU Department of Energy Office of Basic Energy Sciences [W-7405-ENG-36] FX This work has benefited from the use of the Lujan Center at Los Alamos Neutron Science Center, funded by the Department of Energy Office of Basic Energy Sciences, and Los Alamos National Laboratory, funded by the Department of Energy under contract W-7405-ENG-36. NR 23 TC 25 Z9 25 U1 1 U2 29 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD OCT PY 2009 VL 42 BP 867 EP 877 DI 10.1107/S0021889809023541 PG 11 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 495HV UT WOS:000269882600013 ER PT J AU Kane, MC Londono, JD Beyer, FL Brennan, AB AF Kane, Marie C. Londono, J. David Beyer, Frederick L. Brennan, Anthony B. TI Characterization of the hierarchical structures of a dry nanopowder in a polymer matrix by X-ray scattering techniques SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID NANOCOMPOSITES; DISPERSION; TIO2 AB There are many material properties benefits that can be realized by adding nano-sized filler particles to a polymeric resin, such as improvements in strength, modulus and optical transparency. However, the relative amount of improvement is highly dependent on the degree of particle dispersion or homogeneity within the nanocomposite. In this study, a commercially available dry titania nanopowder with a mean primary particle diameter of approximately 30 nm was mixed into an epoxy resin/hardener system to produce nanocomposite samples. Processing techniques such as ultrasonication and particle surface modification were used to produce nanocomposites with varying degrees of particle mixture homogeneity. The extent of nanoparticle dispersion was characterized by a combination of small-angle X-ray scattering and ultra-small-angle X-ray scattering. The measurement length scale ranged between 1 nm and several micrometres. Both measurement techniques provided information on the size distribution of primary particles, aggregates or particle agglomerates in the polymer nanocomposites, depending on the length scale (q region) of interest. Using this combination of processing and characterization techniques, a decrease in average particle cluster size of two orders of magnitude was observed between samples of varying particle mixture homogeneity. C1 [Kane, Marie C.] Savannah River Natl Lab, Aiken, SC USA. [Kane, Marie C.; Brennan, Anthony B.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. [Londono, J. David] DuPont Expt Stn, Wilmington, DE USA. [Beyer, Frederick L.] USA, Res Lab, Aberdeen, MD USA. RP Kane, MC (reprint author), Savannah River Natl Lab, Aiken, SC USA. EM marie.kane@srnl.doe.gov RI Brennan, Anthony/C-8552-2009 OI Brennan, Anthony/0000-0002-0431-8425 FU Particle Engineering Research Center at the University of Florida; Air Force Research Laboratory FX The authors thank the Particle Engineering Research Center at the University of Florida and the Air Force Research Laboratory for financial support of this work. NR 20 TC 2 Z9 2 U1 0 U2 3 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD OCT PY 2009 VL 42 BP 925 EP 931 DI 10.1107/S0021889809029422 PG 7 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 495HV UT WOS:000269882600020 ER PT J AU Bardhan, J Park, S Makowski, L AF Bardhan, Jaydeep Park, Sanghyun Makowski, Lee TI SoftWAXS: a computational tool for modeling wide-angle X-ray solution scattering from biomolecules SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID EGG-WHITE LYSOZYME; BIOLOGICAL MACROMOLECULES; CONFORMATIONAL-CHANGES; MOLECULAR-DYNAMICS; PROTEIN STRUCTURES; WATER; PROGRAM; DIFFRACTION; ASSEMBLIES; SOLVENT AB This paper describes a computational approach to estimating wide-angle X-ray solution scattering (WAXS) from proteins, which has been implemented in a computer program called SoftWAXS. The accuracy and efficiency of SoftWAXS are analyzed for analytically solvable model problems as well as for proteins. Key features of the approach include a numerical procedure for performing the required spherical averaging and explicit representation of the solute-solvent boundary and the surface of the hydration layer. These features allow the Fourier transform of the excluded volume and hydration layer to be computed directly and with high accuracy. This approach will allow future investigation of different treatments of the electron density in the hydration shell. Numerical results illustrate the differences between this approach to modeling the excluded volume and a widely used model that treats the excluded-volume function as a sum of Gaussians representing the individual atomic excluded volumes. Comparison of the results obtained here with those from explicit-solvent molecular dynamics clarifies shortcomings inherent to the representation of solvent as a time-averaged electron-density profile. In addition, an assessment is made of how the calculated scattering patterns depend on input parameters such as the solute-atom radii, the width of the hydration shell and the hydration-layer contrast. These results suggest that obtaining predictive calculations of high-resolution WAXS patterns may require sophisticated treatments of solvent. C1 [Bardhan, Jaydeep; Makowski, Lee] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Bardhan, Jaydeep] Rush Univ, Med Ctr, Dept Mol Biophys & Physiol, Chicago, IL 60612 USA. [Park, Sanghyun] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Makowski, L (reprint author), Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. EM lmakowski@anl.gov FU National Institutes of Health [R01-GM085648]; Mathematical, Information, and Computational Sciences Division Subprogram of the Office of Advanced Scientific Computing Research, Office of Science, US Department of Energy [DE-AC02-06CH11357]; Argonne National Laboratory FX This work was supported by a EUREKA grant from the National Institutes of Health ( grant No. R01-GM085648). JB gratefully acknowledges partial support from a Wilkinson Fellowship in Scientific Computing funded by the Mathematical, Information, and Computational Sciences Division Subprogram of the Office of Advanced Scientific Computing Research, Office of Science, US Department of Energy, under contract DE-AC02-06CH11357. SP gratefully acknowledges support from a Director's Fellowship from Argonne National Laboratory. We would also like to acknowledge the insightful suggestions made by an anonymous referee. NR 67 TC 41 Z9 41 U1 2 U2 11 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD OCT PY 2009 VL 42 BP 932 EP 943 DI 10.1107/S0021889809032919 PG 12 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 495HV UT WOS:000269882600021 PM 21339902 ER PT J AU Asay, JR Ao, T Vogler, TJ Davis, JP Gray, GT AF Asay, J. R. Ao, T. Vogler, T. J. Davis, J-P. Gray, G. T., III TI Yield strength of tantalum for shockless compression to 18 GPa SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID HIGH-STRAIN-RATE; CENTERED CUBIC METALS; ISENTROPIC COMPRESSION; PLASTIC-DEFORMATION; Z-ACCELERATOR; INELASTIC DEFORMATION; CONSTITUTIVE BEHAVIOR; WAVE COMPRESSION; LOW-TEMPERATURE; LATERAL STRESS AB A magnetic loading technique was used to study the strength of pure, annealed, and cold-rolled polycrystalline tantalum under planar ramp loading at strain rates of similar to 10(6)/s. Both the initial yield strength and the flow strength after compression to peak loading stresses of 18 GPa were determined. For sample thicknesses ranging from 0.5-6.0 mm, it was found that the elastic limit of similar to 3.2 GPa, corresponding to a yield strength of 1.6 GPa, for annealed Ta was sharply defined and essentially independent of sample thickness. After elastic yielding, relaxation of the longitudinal stress occurred for sample thicknesses greater than similar to 0.5 mm, approaching an asymptotic value of similar to 1.6 GPa. Two different purities of annealed Ta showed no difference in initial yield strength. Cold-rolling annealed Ta to 26% plastic strain resulted in a more dispersed elastic precursor with an amplitude of about 1.6 GPa and with no stress relaxation after yielding. Analysis of unloading wave profiles from the peak loading states allowed determination of the flow stress, which increased to about 0.9 GPa for annealed Ta and 1.3 GPa for cold-rolled Ta at peak stresses of 17-18 GPa. (C) 2009 American Institute of Physics. [doi:10.1063/1.3226882] C1 [Asay, J. R.; Ao, T.; Vogler, T. J.; Davis, J-P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Gray, G. T., III] Los Alamos Natl Labs, Los Alamos, NM 87545 USA. RP Asay, JR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jrasay@sandia.gov FU U.S. Department of Energy [DE-AC52-06NA25396]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We would like to thank J. Gluth, R. J. Hickman, S. Grine-Jones, M. Willis, J. L. Lynch, A. W. Shay, S. Payne, and M. Roderick, for their technical support in designing, fabricating, and conducting the experiments and Clint Hall for his continuing support of this work. The authors also acknowledge Mike Lopez from Los Alamos National Laboratory for preparation of the Ta samples and S.-R. Chen for assistance with using the MTS model. Several discussions with Marcus Knudson regarding use of measured input profiles for Lagrangian wave analysis are also appreciated. G. T. Gray III acknowledges the support of Los Alamos National Laboratory which is operated by Los Alamos National Security, LLC, for the NNSA of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396. G. T. Gray III further acknowledges that his research was supported under the auspices of the U.S. Department of Energy and the Joint DoD/DOE Munitions Program. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Co., for the United States Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 76 TC 39 Z9 42 U1 3 U2 16 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2009 VL 106 IS 7 AR 073515 DI 10.1063/1.3226882 PG 20 WC Physics, Applied SC Physics GA 508FT UT WOS:000270915600037 ER PT J AU Chiritescu, C Mortensen, C Cahill, DG Johnson, D Zschack, P AF Chiritescu, Catalin Mortensen, Clay Cahill, David G. Johnson, David Zschack, Paul TI Lower limit to the lattice thermal conductivity of nanostructured Bi2Te3-based materials SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID THERMOELECTRIC PROPERTIES; BISMUTH TELLURIDE; ELECTRICAL-CONDUCTIVITY; SINGLE-CRYSTAL; ALLOYS; SUPERLATTICES; PHOTOEMISSION; TRANSPORT; VIBRATIONS; REACTANTS AB We investigate the lower limit to the lattice thermal conductivity of Bi2Te3 and related materials using thin films synthesized by the method of elemental reactants. The thermal conductivities of single layer films of (Bi0.5Sb0.5)(2)Te-3 and multilayer films of (Bi2Te3)(m)(TiTe2)(n) and [(BixSb1-x)(2)Te-3](m)(TiTe2)(n) are measured by time-domain thermoreflectance; the thermal conductivity data are compared to our prior work on nanocrystalline Bi2Te3 and a Debye-Callaway model of heat transport by acoustic phonons. The homogeneous nanocrystalline films have average grain sizes 30 < d < 100 nm as measured by the width of the (003) x-ray diffraction peak. Multilayer films incorporating turbostratic TiTe2 enable studies of the effective thermal conductivity of Bi2Te3 layers as thin as 2 nm. In the limit of small grain size or layer thickness, the thermal conductivity of Bi2Te3 approaches the predicted minimum thermal conductivity of 0.31 W/m K. The dependence of the thermal conductivity on grain size is in good agreement with our Debye-Callaway model. The use of alloy (Bi, Sb)(2)Te-3 layers further reduces the thermal conductivity of the nanoscale layers to as low as 0.20 W/m K. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3226884] C1 [Chiritescu, Catalin; Cahill, David G.] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Chiritescu, Catalin; Cahill, David G.] Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. [Mortensen, Clay; Johnson, David] Univ Oregon, Dept Chem, Eugene, OR 97403 USA. [Mortensen, Clay; Johnson, David] Univ Oregon, Inst Mat Sci, Eugene, OR 97403 USA. [Zschack, Paul] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Chiritescu, C (reprint author), Univ Illinois, Dept Mat Sci & Engn, 1304 W Green St, Urbana, IL 61801 USA. EM chirites@illinois.edu RI Cahill, David/B-3495-2014 FU Office of Naval Research [N00014-07-1-0190]; U.S. Department of Energy [DE-FG02-07ER46453, DE-FG02-07ER46471, DE-AC02-06CH11357] FX Work for this project was supported by Office of Naval Research Grant No. N00014-07-1-0190. Thermal conductivity measurements were carried out in the Frederick Seitz Materials Research Laboratory Central Facilities, University of Illinois, which is partially supported by the U.S. Department of Energy under Grant Nos. DE-FG02-07ER46453 and DE-FG02-07ER46471. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. We thank Yee Kan Koh for useful discussions regarding the implementation of the DC model. NR 42 TC 44 Z9 44 U1 9 U2 57 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2009 VL 106 IS 7 AR 073503 DI 10.1063/1.3226884 PG 5 WC Physics, Applied SC Physics GA 508FT UT WOS:000270915600025 ER PT J AU Mihajlovic, G Hoffmann, A von Molnar, S AF Mihajlovic, G. Hoffmann, A. von Molnar, S. TI Micro-Hall position sensing of magnetic nanowires SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MAGNETOMETRY AB The Hall voltage output of a micro-Hall magnetic sensor depends on the relative position of a magnetic nanowire with respect to its sensing area. Following this idea, we performed analytical calculations which show that, under certain conditions, these devices can track the position of a magnetic nanowire with subnanometer resolution. Our results suggest that micro-Hall sensors can be utilized to provide a direct electronic readout of the position of magnetic nanowires in their applications as biomolecular manipulators or dynamic components in micro-and nanoscale devices. (C) 2009 American Institute of Physics. [doi:10.1063/1.3245334] C1 [Mihajlovic, G.; Hoffmann, A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Hoffmann, A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [von Molnar, S.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. [von Molnar, S.] Florida State Univ, MARTECH, Tallahassee, FL 32306 USA. RP Mihajlovic, G (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mihajlovic@anl.gov RI Hoffmann, Axel/A-8152-2009 OI Hoffmann, Axel/0000-0002-1808-2767 FU U.S. Department of Energy, Office of Science [DE-AC02-06CH11357] FX Work at Argonne was supported by the U.S. Department of Energy, Office of Science, under Contract No. DE-AC02-06CH11357. NR 19 TC 2 Z9 2 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2009 VL 106 IS 7 AR 074518 DI 10.1063/1.3245334 PG 5 WC Physics, Applied SC Physics GA 508FT UT WOS:000270915600126 ER PT J AU Gaither, KA Tarasevich, BJ Goheen, SC AF Gaither, Kari A. Tarasevich, Barbara J. Goheen, Steven C. TI Modification of Polyurethane to Reduce Occlusion of Enteral Feeding Tubes SO JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART B-APPLIED BIOMATERIALS LA English DT Article DE casein; ellipsometry; clogging; pressure; polyvinyl alcohol ID PROTEIN ADSORPTION; MICROBIAL-CONTAMINATION; FUNGAL COLONIZATION; ORGANIC MONOLAYERS; ION-EXCHANGE; SURFACES; GASTROSTOMY; CHROMATOGRAPHY; GROWTH AB Feeding tubes are used to supply nutritional formula to immobilized patients. The most common cause for failure of enteral feeding tubes is their occlusion. The purpose of this study was to examine whether occlusion of enteral feeding tubes could be minimized using an additive. An open, intermittent enteral feeding system was simulated in the laboratory and data were collected over a period ranging from 2 to 6 days. Feeding formula was cycled through a feeding tube in either the presence or absence of simulated gastric acid in an effort to generate a reproducible occlusion. Pressures in the tube were measured frequently throughout these cycles. We observed pressure spikes with each cycle, but never a complete occlusion. Pressure spikes formed only when simulated gastric acid was mixed with the feeding solution. Large amounts of feeding formula adsorbed onto polyurethane (PU) surfaces in the presence of gastric acid. Also, this subtle change in surface chemistry significantly affected the number of pressure spikes observed. The maximum pressure required to maintain flow in the tube was reduced by about half from 2.0 psi to 0.8 psi when polyvinyl alcohol (PVA) was added. The addition of PVA to PU also reduced the contact angle from 83 degrees (untreated) to similar to 64 degrees in the presence of PVA. Furthermore, when formula was added to PU in the presence of PVA the thickness of the layer that remained on the surface was almost 10 times greater in controls than on PVA-treated surfaces. These results suggest that a treatment that increases the hydrophilicity of the feeding tube may help minimize clogging. (C) 2009 Wiley Periodicals, Inc.* J Biomed Mater Res Part B: Appl Biomater 91B: 135-142, 2009 C1 [Gaither, Kari A.; Tarasevich, Barbara J.; Goheen, Steven C.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Goheen, SC (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM steve.goheen@pnl.gov NR 27 TC 5 Z9 6 U1 0 U2 2 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1552-4973 J9 J BIOMED MATER RES B JI J. Biomed. Mater. Res. Part B PD OCT PY 2009 VL 91B IS 1 BP 135 EP 142 DI 10.1002/jbm.b.31382 PG 8 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 495MM UT WOS:000269897100016 PM 19399855 ER PT J AU Hoffman, DC AF Hoffman, Darleane C. TI The Periodic Table Key to Past "Elemental" Discoveries-A New Role in the Future? SO JOURNAL OF CHEMICAL EDUCATION LA English DT Editorial Material ID IUPAC TECHNICAL REPORT; TRANSACTINIDE ELEMENTS; CHEMISTRY; ATOM; TIME C1 [Hoffman, Darleane C.] Univ Calif Berkeley, Dept Chem, Grad Sch, Berkeley, CA 94720 USA. [Hoffman, Darleane C.] Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Hoffman, DC (reprint author), Univ Calif Berkeley, Dept Chem, Grad Sch, Berkeley, CA 94720 USA. EM dchoffman@lbl.gov NR 13 TC 3 Z9 3 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9584 J9 J CHEM EDUC JI J. Chem. Educ. PD OCT PY 2009 VL 86 IS 10 BP 1122 EP 1128 PG 7 WC Chemistry, Multidisciplinary; Education, Scientific Disciplines SC Chemistry; Education & Educational Research GA 503GC UT WOS:000270520500002 ER PT J AU Jackson, NB AF Jackson, Nancy B. TI Education Is the Future SO JOURNAL OF CHEMICAL EDUCATION LA English DT Editorial Material C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Jackson, NB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM nbjacks@sandia.gov NR 1 TC 1 Z9 1 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9584 J9 J CHEM EDUC JI J. Chem. Educ. PD OCT PY 2009 VL 86 IS 10 BP 1170 EP 1170 PG 1 WC Chemistry, Multidisciplinary; Education, Scientific Disciplines SC Chemistry; Education & Educational Research GA 503GC UT WOS:000270520500022 ER PT J AU Jiang, W Hodoscek, M Roux, B AF Jiang, Wei Hodoscek, Milan Roux, Benoit TI Computation of Absolute Hydration and Binding Free Energy with Free Energy Perturbation Distributed Replica-Exchange Molecular Dynamics SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID COMPUTER-SIMULATIONS; CHARMM AB Distributed Replica (REPDSTR) is a powerful parallelization technique enabling simulations of a group of replicas in a parallel/parallel fashion, where each replica is distributed to different nodes of a large cluster [Theor. Chem. Acc. 2003, 109,140]. Here, we use the framework provided by REPDSTR to combine a staged free energy perturbation protocol with replica-exchange molecular dynamics (FEP/REMD). The structure of REPDSTR, which allows multiple parallel input/output (I/O), facilitates the treatment of replica-exchange to couple the N window simulations corresponding to different values of the thermodynamic coupling parameters. As a result, each of the N synchronous window simulations benefit from the sampling carried out by the N-1 others. As illustrative examples of the FEP/REMD strategy, calculations of the absolute hydration and binding free energy of small molecules were performed using the biomolecular simulation program CHARMM adapted for the IBM Blue Gene/P platform. The computations show that a FEP/REMD strategy significantly improves the sampling and accelerates the convergence of absolute free energy computations. C1 [Jiang, Wei; Roux, Benoit] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Hodoscek, Milan] Natl Inst Chem, Ctr Mol Modeling, SI-1000 Ljubljana, Slovenia. [Roux, Benoit] Univ Chicago, Gordon Ctr Integrat Sci, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. RP Roux, B (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave,Bldg 221, Argonne, IL 60439 USA. EM roux@uchicago.edu FU National Science Foundation [MCB-0920261]; Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357] FX We would like to acknowledge Dr. Ray Loy for his help with CHARMM on the Blue Gene/P Intrepid of Argonne National Laboratory, Dr. Paul Maragakis for the collaboration building replica-exchange in the REPDSTR module, and Dr. Yuqing Deng, Dr. Sanghyun Park, and Dr. Albert Lau for valuable discussions about free energy calculations and replica-exchange scheme. This research is funded by grant MCB-0920261 from the National Science Foundation. This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357. NR 20 TC 68 Z9 68 U1 0 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD OCT PY 2009 VL 5 IS 10 BP 2583 EP 2588 DI 10.1021/ct900223z PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 504DX UT WOS:000270595800001 PM 21857812 ER PT J AU Maragliano, L Vanden-Eijnden, E Roux, B AF Maragliano, Luca Vanden-Eijnden, Eric Roux, Benoit TI Free Energy and Kinetics of Conformational Transitions from Voronoi Tessellated Milestoning with Restraining Potentials SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; STRING METHOD AB Milestoning is a method aimed at reconstructing the statistical properties of the long-time dynamics of a system by exploiting the crossing statistics of a set of hypersurfaces, called the "milestones", placed along the reaction coordinate [Faradjian and Elber, J. Chem. Phys. 2004, 120, 10880]. Recently, Vanden-Eijnden and Venturoli [J. Chem. Phys. 2009, 130, 194101] showed that when a complete Voronoi tessellation of the configurational space is available, milestoning can be reformulated to utilize the statistics from a series of independent simulations, each confined within a single cell via strict reflections at the boundaries. As a byproduct, this "Voronoi tessellated milestoning" method also permits to compute the free energy of the tessellation. Here, the method is extended to support the usage of differentiable restraining potentials to confine the trajectories within each cell. C1 [Vanden-Eijnden, Eric] NYU, Courant Inst Math Sci, New York, NY 10012 USA. [Maragliano, Luca; Roux, Benoit] Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. [Roux, Benoit] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Vanden-Eijnden, E (reprint author), NYU, Courant Inst Math Sci, 251 Mercer St, New York, NY 10012 USA. EM eve2@cims.nyu.edu; roux@uchicago.edu RI Maragliano, Luca/A-8294-2010 OI Maragliano, Luca/0000-0002-5705-6967 FU National Science Foundation [DMS-0718172, DMS-0708140, MCB-0920261]; Office of Naval Research [N00014-04-1-6046] FX We thank Ron Elber, Maddalena Venturoli, and Albert Pan for many useful discussions. The work of E.V.-E. was partially supported by the National Science Foundation grants DMS-0718172 and DMS-0708140 and the Office of Naval Research grant N00014-04-1-6046. The work of B.R. was supported by National Science Foundation through Grant MCB-0920261. NR 30 TC 30 Z9 30 U1 0 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD OCT PY 2009 VL 5 IS 10 BP 2589 EP 2594 DI 10.1021/ct900279z PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 504DX UT WOS:000270595800002 PM 20354583 ER PT J AU Schulz, R Lindner, B Petridis, L Smith, JC AF Schulz, Roland Lindner, Benjamin Petridis, Loukas Smith, Jeremy C. TI Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID PARTICLE-MESH EWALD; LINEAR CONSTRAINT SOLVER; REACTION-FIELD; COMPUTER-SIMULATIONS; ELECTROSTATIC INTERACTIONS; LIQUID WATER; CONTINUUM ELECTROSTATICS; ARTIFICIAL PERIODICITY; BOUNDARY-CONDITIONS; MOSAIC-VIRUS AB A strategy is described for a fast all-atom molecular dynamics simulation of multimillion-atom biological systems on massively parallel supercomputers. The strategy is developed using benchmark systems of particular interest to bioenergy research, comprising models of cellulose and lignocellulosic biomass in an aqueous solution. The approach involves using the reaction field (RF) method for the computation of long-range electrostatic interactions, which permits efficient scaling on many thousands of cores. Although the range of applicability of the RF method for biomolecular systems remains to be demonstrated, for the benchmark systems the use of the RF produces molecular dipole moments, Kirkwood G factors, other structural properties, and mean-square fluctuations in excellent agreement with those obtained with the commonly used Particle Mesh Ewald method. With RF, three million- and five million-atom biological systems scale well up to similar to 30k cores, producing similar to 30 ns/day, Atomistic simulations of very large systems for time scales approaching the microsecond would, therefore, appear now to be within reach. C1 [Schulz, Roland; Lindner, Benjamin; Petridis, Loukas; Smith, Jeremy C.] Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN 37831 USA. [Schulz, Roland; Lindner, Benjamin; Smith, Jeremy C.] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. [Schulz, Roland; Lindner, Benjamin; Petridis, Loukas; Smith, Jeremy C.] Oak Ridge Natl Lab, Bioenergy Sci Ctr, Oak Ridge, TN 37831 USA. RP Smith, JC (reprint author), Oak Ridge Natl Lab, Ctr Biophys Mol, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM smithjc@ornl.gov RI Petridis, Loukas/B-3457-2009; Schulz, Roland/A-1868-2010; smith, jeremy/B-7287-2012 OI Petridis, Loukas/0000-0001-8569-060X; Schulz, Roland/0000-0003-1603-2413; smith, jeremy/0000-0002-2978-3227 FU GTL Program, Office of Biological and Environmental Research, U.S. Department of Energy; BioEnergy Science Center; FWP ERKP704; Office of Biological and Environmental Research; DOE INCITE; Office of Science FX Graphics were prepared by Thomas Splettstoesser. R.S. thanks the GROMACS developers, especially B. Hess for help with the parallel efficiency and D. van der Spoel for fruitful discussions on RF. We thank Par Bjelkmar for the CHARMM conversion script. We also extend our thanks to the staff of the ORNL National Center for Computational Sciences for general help and for providing CHARM++ and NAMD binaries. This research is funded by the Genomics: GTL Program, Office of Biological and Environmental Research, U.S. Department of Energy, under the BioEnergy Science Center and FWP ERKP704. The BioEnergy Science Center is a U.S. Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. This research used the resources of the National Center for Computational Sciences at Oak Ridge National Laboratory, supported by the DOE INCITE and Early Access award from the Office of Science. NR 69 TC 53 Z9 53 U1 2 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD OCT PY 2009 VL 5 IS 10 BP 2798 EP 2808 DI 10.1021/ct900292r PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 504DX UT WOS:000270595800021 PM 26631792 ER PT J AU Andzelm, J Rinderspacher, BC Rawlett, A Dougherty, J Baer, R Govind, N AF Andzelm, Jan Rinderspacher, Berend C. Rawlett, Adam Dougherty, Joseph Baer, Roi Govind, Niranjan TI Performance of DFT Methods in the Calculation of Optical Spectra of TCF-Chromophores SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID DENSITY-FUNCTIONAL THEORY; GENERALIZED-GRADIENT-APPROXIMATION; CONTINUUM SOLVATION MODELS; TRANSFER EXCITED-STATES; LARGE MOLECULES; CONFIGURATION-INTERACTION; ELECTROOPTIC ACTIVITY; EXCITATION-ENERGIES; ABSORPTION-SPECTRA; GUEST-HOST AB We present electronic structure calculations of the ultraviolet/visible (UV-vis) spectra of highly active push-pull chromophores containing the tricyanofuran (TCF) acceptor group. In particular, we have applied the recently developed long-range corrected Baer-Neuhauser-Livshits (BNL) exchange-correlation functional. The performance of this functional compares favorably with other density functional theory (DFT) approaches, including the CAM-B3LYP functional. The accuracy of UV-vis results for these molecules is best at low values of attenuation parameters (gamma) for both BNL and CAM-B3LYP functionals. The optimal value of gamma is different for the charge-transfer (CT) and pi-pi* excitations. The BNL and PBE0 exchange correlation functionals capture the CT states particularly well, while the pi-pi* excitations are less accurate and system dependent. Chromophore conformations, which considerably affect the molecular hyperpolarizability, do not significantly influence the UV-vis spectra on average. As expected, the color of chromophores is a sensitive function of modifications to its conjugated framework and is not significantly affected by increasing aliphatic chain length linking a chromophore to a polymer. For selected push-pull aryl-chromophores, we find a significant dependence of absorption spectra on the strength of diphenylaminophenyl donors. C1 [Andzelm, Jan; Rinderspacher, Berend C.; Rawlett, Adam; Dougherty, Joseph] USA, Res Lab, Aberdeen Proving Ground, MD 21005 USA. [Baer, Roi] Hebrew Univ Jerusalem, Inst Chem, IL-91904 Jerusalem, Israel. [Baer, Roi] Hebrew Univ Jerusalem, Fritz Haber Ctr Mol Dynam, IL-91904 Jerusalem, Israel. [Govind, Niranjan] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Andzelm, J (reprint author), USA, Res Lab, Aberdeen Proving Ground, MD 21005 USA. EM jandzelm@arl.army.mil RI Govind, Niranjan/D-1368-2011 NR 62 TC 39 Z9 39 U1 0 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD OCT PY 2009 VL 5 IS 10 BP 2835 EP 2846 DI 10.1021/ct900231r PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 504DX UT WOS:000270595800024 PM 26631795 ER PT J AU Chirico, RD Steele, WV AF Chirico, Robert D. Steele, William V. TI Thermodynamic properties of tert-butylbenzene and 1,4-di-tert-butylbenzene (vol 41, pg 392, 2009) SO JOURNAL OF CHEMICAL THERMODYNAMICS LA English DT Correction C1 [Chirico, Robert D.] NIST, Phys & Chem Properties Div, Boulder, CO 80305 USA. [Steele, William V.] Univ Tennessee, Dept Chem Engn, Phys Properties Res Facil, Knoxville, TN 37996 USA. [Steele, William V.] Oak Ridge Natl Lab, Nucl Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Chirico, RD (reprint author), NIST, Phys & Chem Properties Div, Boulder, CO 80305 USA. EM chirico@boulder.nist.gov; wsteele13@comcast.net NR 1 TC 0 Z9 0 U1 2 U2 3 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0021-9614 J9 J CHEM THERMODYN JI J. Chem. Thermodyn. PD OCT PY 2009 VL 41 IS 10 BP 1186 EP 1186 DI 10.1016/j.jct.2009.03.013 PG 1 WC Thermodynamics; Chemistry, Physical SC Thermodynamics; Chemistry GA 472SJ UT WOS:000268152100015 ER PT J AU Yang, LC Kim, P Meyer, HM Agnihotri, S AF Yang, Liangcheng Kim, Pyoungchung Meyer, Harry M. Agnihotri, Sandeep TI Aging of nanocarbons in ambient conditions: Probable metastability of carbon nanotubes SO JOURNAL OF COLLOID AND INTERFACE SCIENCE LA English DT Article DE Environment; Impacts; Aging; Nanocarbons; Chemistry; Surface area; Self-repairing; Carbon nanotubes ID PULMONARY TOXICITY; HYDROGEN STORAGE; ACTIVATED CARBON; ADSORPTION; CYTOTOXICITY; SURFACE; WATER; PURIFICATION; VAPOR; FUNCTIONALIZATION AB We studied the physicochemical properties of several commercially available single- and multi-walled carbon nanotubes (SWNTs and MWNTs) and fullerenes stored in normal ambient conditions for 24 months. We found that SWNTs exhibit a trend of decreasing surface area and pore volume up to 7-15 months but then stabilized, no longer being impacted by sample age or outgassing temperatures. Using X-ray Photoelectron Spectroscopy. we also observed a trend of decreasing surface oxygen in all samples from the beginning with much lower % oxygen observed after 12-15 months of aging under ambient conditions. The surface oxygen then stabilized for the duration of this study. There was also evidence that the total structural-defect concentration, estimated from Raman spectroscopy, was somehow lowered during the aging process. The decrease in surface oxygen is an unexpected phenomenon because most other carbons, such as activated carbons or carbon molecular sieves, either oxidize or remain unaffected by age. We believe that nanocarbons are meta-stable materials (in pseudo-thermodynamic equilibrium), and that their aging in ambient conditions makes them more thermodynamically stable with fixed properties. This new information about the properties of nanocarbons should be further explored as it can help resolve some of the conflicting reports such as those about the environmental impacts of nanomaterials. (C) 2009 Elsevier Inc. All rights reserved. C1 [Yang, Liangcheng; Kim, Pyoungchung; Agnihotri, Sandeep] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. [Meyer, Harry M.] Oak Ridge Natl Lab, Microscopy Grp, Oak Ridge, TN 37831 USA. RP Agnihotri, S (reprint author), Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. EM lyang11@utk.edu; pkim1@utk.edu; meyerhmiii@ornl.gov; sagnihot@utk.edu FU National Science Foundation [CBET-0836365]; US Department of Energy FX The work was partially supported by the National Science Foundation (CBET-0836365). A Portion of this research was conducted at the SHaRE UserFacility, which is sponsored by the Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy. NR 47 TC 5 Z9 5 U1 0 U2 11 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9797 J9 J COLLOID INTERF SCI JI J. Colloid Interface Sci. PD OCT 1 PY 2009 VL 338 IS 1 BP 128 EP 134 DI 10.1016/j.jcis.2009.06.017 PG 7 WC Chemistry, Physical SC Chemistry GA 489DX UT WOS:000269401200017 PM 19635621 ER PT J AU Steinwart, I AF Steinwart, I. TI Oracle inequalities for support vector machines that are based on random entropy numbers SO JOURNAL OF COMPLEXITY LA English DT Article DE Statistical learning theory; Kernel-based methods; Eigenvalues; Entropy numbers ID PERFORMANCE AB In this paper, we present a new technique for bounding local Rademacher averages of function classes induced by a loss function and a reproducing kernel Hilbert space (RKHS). At the heart of this technique lies the observation that certain expectations of random entropy numbers can be bounded by the eigenvalues of the integral operator associated with the RKHS. We then work out the details of the new technique by establishing two new oracle inequalities for Support vector machines, which complement and generalize previous results. Published by Elsevier Inc. C1 Los Alamos Natl Lab, Informat Sci Grp CCS 3, Los Alamos, NM 87545 USA. RP Steinwart, I (reprint author), Los Alamos Natl Lab, Informat Sci Grp CCS 3, Mail Stop B256, Los Alamos, NM 87545 USA. EM ingo@lanl.gov OI Steinwart, Ingo/0000-0002-4436-7109 NR 21 TC 4 Z9 4 U1 0 U2 1 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0885-064X EI 1090-2708 J9 J COMPLEXITY JI J. Complex. PD OCT PY 2009 VL 25 IS 5 BP 437 EP 454 DI 10.1016/j.jco.2009.06.002 PG 18 WC Computer Science, Theory & Methods; Mathematics, Applied SC Computer Science; Mathematics GA 500PK UT WOS:000270315400004 ER PT J AU Sargsyan, K Debusschere, B Najm, H Marzouk, Y AF Sargsyan, Khachik Debusschere, Bert Najm, Habib Marzouk, Youssef TI Bayesian Inference of Spectral Expansions for Predictability Assessment in Stochastic Reaction Networks SO JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE LA English DT Article DE Uncertainty Quantification; Bayesian Inference; Polynomial Chaos; Stochastic Reaction Networks; Domain Decomposition; Predictability ID GENERALIZED POLYNOMIAL CHAOS; COUPLED CHEMICAL-REACTIONS; UNCERTAINTY PROPAGATION; DIFFERENTIAL-EQUATIONS; SENSITIVITY-ANALYSIS; PROJECTION METHOD; FINITE-ELEMENTS; STEADY-STATE; FLUID-FLOW; SYSTEMS AB Stochastic reaction networks modeled as jump Markov processes serve as the main mathematical representation of biochemical phenomena in cells, particularly when the relevant molecule count is low, causing deterministic macroscale chemical reaction models to fail. Further, as there is mainly empirical knowledge about the rate parameters, parametric uncertainty analysis becomes very important. The conventional predictability tools for deterministic systems do not readily generalize to the stochastic setting. We use spectral polynomial chaos expansions to represent stochastic processes. Bayesian inference techniques with Markov chain Monte Carlo are used to find the best spectral representation of the system state, taking into account not only intrinsic stochastic noise but also parametric uncertainties. A likelihood-based adaptive domain decomposition is introduced and applied, in particular, for the cases when the parameter range includes deterministic bifurcations. We show that the adaptive multidomain polynomial chaos representation captures the correct system behavior for a benchmark bistable Schlogl model for a wide range of parameter variations. C1 [Sargsyan, Khachik; Debusschere, Bert; Najm, Habib; Marzouk, Youssef] Sandia Natl Labs, Livermore, CA 94550 USA. RP Sargsyan, K (reprint author), Sandia Natl Labs, 7011 East Ave,MS 9051, Livermore, CA 94550 USA. FU U.S. Department of Energy Office of Science through the Applied Mathematics, Office of Advanced Scientific Computing Research (ASCR) [07-012783]; U.S. Department of Energy [DE-AC04-94-AL85000] FX This work was supported by the U.S. Department of Energy Office of Science through the Applied Mathematics program in the Office of Advanced Scientific Computing Research (ASCR) under contract 07-012783 with Sandia National Laboratories. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy under contract No. DE-AC04-94-AL85000. NR 59 TC 11 Z9 11 U1 0 U2 7 PU AMER SCIENTIFIC PUBLISHERS PI VALENCIA PA 26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA SN 1546-1955 J9 J COMPUT THEOR NANOS JI J. Comput. Theor. Nanosci. PD OCT PY 2009 VL 6 IS 10 BP 2283 EP 2297 DI 10.1166/jctn.2009.1285 PG 15 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 527TB UT WOS:000272388300023 ER PT J AU Wang, W Shu, CW Yee, HC Sjogreen, B AF Wang, Wei Shu, Chi-Wang Yee, H. C. Sjoegreen, Bjoern TI High-order well-balanced schemes and applications to non-equilibrium flow SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Well-balanced schemes; Non-equilibrium flow; Chemical reactions; WENO schemes; TVD schemes; Nozzle flow ID SHALLOW-WATER EQUATIONS; HYPERBOLIC CONSERVATION-LAWS; NONLINEAR DIFFERENTIAL-EQUATIONS; STATE NUMERICAL-SOLUTIONS; SOURCE TERMS; WENO SCHEMES; TVD SCHEMES; EFFICIENT IMPLEMENTATION; RESIDUAL DISTRIBUTION; WAVE-PROPAGATION AB The appearance of the source terms in modeling non-equilibrium flow problems containing finite-rate chemistry or combustion poses additional numerical difficulties beyond that for solving non-reacting flows. A well-balanced scheme, which can preserve certain non-trivial steady state solutions exactly, may help minimize some of these difficulties. In this paper, a simple one-dimensional non-equilibrium model with one temperature is considered. We first describe a general strategy to design high-order well-balanced finite-difference schemes and then study the well-balanced properties of the high-order finite-difference weighted essentially non-oscillatory (WENO) scheme, modified balanced WENO schemes and various total variation diminishing (TVD) schemes. The advantages of using a well-balanced scheme in preserving steady states and in resolving small perturbations of such states will be shown. Numerical examples containing both smooth and discontinuous solutions are included to verify the improved accuracy, in addition to the well-balanced behavior. (C) 2009 Elsevier Inc. All rights reserved C1 [Shu, Chi-Wang] Brown Univ, Div Appl Math, Providence, RI 02912 USA. [Wang, Wei] Stanford Univ, Ctr Turbulence Res, Stanford, CA 94305 USA. [Yee, H. C.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Sjoegreen, Bjoern] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Shu, CW (reprint author), Brown Univ, Div Appl Math, Providence, RI 02912 USA. EM shu@dam.brown.edu RI Shu, Chi-Wang/A-3216-2013 OI Shu, Chi-Wang/0000-0001-7720-9564 FU DOE/SciDAC SAP [DE-AI02-06ER25796]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344 LLNL-JRNL-409903] FX The authors acknowledge the support of the DOE/SciDAC SAP grant DE-AI02-06ER25796. The work by Bjorn Sjogreen is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344 LLNL-JRNL-409903. NR 34 TC 10 Z9 10 U1 0 U2 3 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD OCT 1 PY 2009 VL 228 IS 18 BP 6682 EP 6702 DI 10.1016/j.jcp.2009.05.028 PG 21 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 488UG UT WOS:000269375000004 ER PT J AU Samtaney, R AF Samtaney, Ravi TI A method to simulate linear stability of impulsively accelerated density interfaces in ideal-MHD and gas dynamics SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Numerical linear stability; Upwind method; Richtmyer-Meshkov ID RICHTMYER-MESHKOV INSTABILITY; GODUNOV METHOD; UPWIND SCHEME; MAGNETOHYDRODYNAMICS; UNSPLIT; FIELD AB We present a numerical method to solve the linear stability of impulsively accelerated density interfaces in two dimensions such as those arising in the Richtmyer-Meshkov instability. The method uses an Eulerian approach, and is based on an upwind method to compute the temporally evolving base state and a flux vector splitting method for the perturbations. The method is applicable to either gas dynamics or magnetohydrodynamics. Numerical examples are presented for cases in which a hydrodynamic shock interacts with a single or double density interface, and a doubly shocked single density interface. Convergence tests show that the method is spatially second-order accurate for smooth flows, and between first and second-order accurate for flows with shocks. (C) 2009 Elsevier Inc. All rights reserved. C1 Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Samtaney, R (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM samtaney@pppl.gov FU USDOE [DE-AC02-09CH11466] FX This work was supported under the DOE SciDAC program (USDOE Contract No. DE-AC02-09CH11466) performed at Princeton Plasma Physics Laboratory, Princeton University. NR 16 TC 5 Z9 5 U1 0 U2 5 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD OCT 1 PY 2009 VL 228 IS 18 BP 6773 EP 6783 DI 10.1016/j.jcp.2009.05.042 PG 11 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 488UG UT WOS:000269375000008 ER PT J AU Reynolds, DR Hayes, JC Paschos, P Norman, ML AF Reynolds, Daniel R. Hayes, John C. Paschos, Pascal Norman, Michael L. TI Self-consistent solution of cosmological radiation-hydrodynamics and chemical ionization SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Radiation; Hydrodynamics; Ionization; Cosmology; Numerical methods; Implicit methods ID ADAPTIVE MESH REFINEMENT; FLUX-LIMITED DIFFUSION; PIECEWISE PARABOLIC METHOD; INTERGALACTIC MEDIUM; REIONIZATION; ALGORITHMS; TRANSPORT; FLOWS; STATE; GAS AB We consider a PDE system comprising compressible hydrodynamics, flux-limited diffusion radiation transport and chemical ionization kinetics in a cosmologically-expanding universe. Under an operator-split framework, the cosmological hydrodynamics equations are solved through the piecewise parabolic method, as implemented in the Enzo community hydrodynamics code. The remainder of the model, including radiation transport, chemical ionization kinetics, and gas energy feedback, form a stiff coupled PDE system, which we solve using a fully-implicit inexact Newton approach, and which forms the crux of this paper. The inner linear Newton systems are solved using a Schur complement formulation, and employ a multigrid-preconditioned conjugate gradient solver for the inner Schur systems. We describe this approach and provide results on a suite of test problems, demonstrating its accuracy, robustness, and scalability to very large problems. (C) 2009 Elsevier Inc. All rights reserved. C1 [Reynolds, Daniel R.] So Methodist Univ, Dallas, TX 75275 USA. [Hayes, John C.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Paschos, Pascal; Norman, Michael L.] Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. [Norman, Michael L.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. RP Reynolds, DR (reprint author), So Methodist Univ, Dallas, TX 75275 USA. EM reynolds@smu.edu; jchayes@llnl.gov; ppaschos@minbari.ucsd.edu; mlnorman@ucsd.edu OI Reynolds, Daniel/0000-0002-0911-7841 FU NSF [AST-0708960, AST-0808184]; NASA ATFP [NNX08AH26G]; UCSD-LLNL; US Department of Energy [W-7405-ENG-48] FX The authors wish to acknowledge the many insightful discussions with Frank Graziani, Louis Howell, Carol Woodward, and Doug Swesty during the course of this work; as well as Rob Lowrie for providing semi-analytical solutions to (Section 4.4). The verification tests were performed on the Itanium 2 linux cluster Thunder at the Lawrence Livermore National Laboratory, and on the IBM Power 4 supercomputer DataStar at the San Diego Supercomputing Center. The weak scaling tests were performed on the Cray XT4 system Kraken at the National Institute for Computational Sciences. This work was supported in part by NSF grants AST-0708960 and AST-0808184, NASA ATFP grant NNX08AH26G, and by UCSD-LLNL collaborative grant "LUScil): Scientific Data Management" to MLN, and performed in part under the auspices of the US Department of Energy by the University of California, Lawrence Livermore National Laboratory under Contract W-7405-ENG-48. NR 45 TC 16 Z9 16 U1 0 U2 4 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD OCT 1 PY 2009 VL 228 IS 18 BP 6833 EP 6854 DI 10.1016/j.jcp.2009.06.006 PG 22 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 488UG UT WOS:000269375000012 ER PT J AU Yanes, Y Martin, J Artiles, M Moro, L Alonso, MR Ibanez, M AF Yanes, Yurena Martin, Javier Artiles, Miguel Moro, Leopoldo Alonso, Maria R. Ibanez, Miguel TI REDISCOVERY AND REDESCRIPTION OF AN ALMOST UNKNOWN HEMICYCLA SPECIES (GASTROPODA, PULMONATA, HELICIDAE): H. EURYTHYRA O. BOETTGER 1908 FROM TENERIFE, CANARY ISLANDS SO JOURNAL OF CONCHOLOGY LA English DT Article DE Gastropoda; Hemicycla eurythyra; Tenerife; Canary Islands ID HELICOIDEA; ENIDAE AB Hemicycla eurythyra O. Boettger 1908, endemic to Tenerife, zoos rediscovered near its type locality. It is redescribed and compared with two conchologically similar taxa: H. pouchet (A. Ferussac 1821) and H. pouchadan Ibanez & Alonso 2007. H. eurythyra is grouped in the subgenus Hemicycla s. str by the presence of a diverticulum in the bursa copulatrix complex. C1 [Yanes, Yurena] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Martin, Javier] El Coromoto, Tenerife, Canary Islands, Spain. [Moro, Leopoldo] Ctr Planificac Ambiental CEPLAM, Tenerife, Canary Islands, Spain. [Alonso, Maria R.; Ibanez, Miguel] Univ La Laguna, Dept Anim Biol, E-38206 Tenerife, Spain. RP Yanes, Y (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. EM mibanez@ull.es RI Yanes, Yurena/F-3218-2010; Ibanez, Miguel/A-2126-2008 NR 9 TC 4 Z9 4 U1 0 U2 2 PU CONCHOLOGICAL SOC GREAT BRITAIN & IRELAND PI DREWSTEIGNTON PA MILLS HOUSE, CLIFFORD BRIDGE, DREWSTEIGNTON EX6 6QE, EXETER, ENGLAND SN 0022-0019 J9 J CONCHOL JI J. Conchol. PD OCT PY 2009 VL 40 BP 31 EP 35 PN 1 PG 5 WC Marine & Freshwater Biology; Zoology SC Marine & Freshwater Biology; Zoology GA 518YD UT WOS:000271731100005 ER PT J AU Matinyan, SH AF Matinyan, S. H. TI Two post-Alikhanian generations of physicists SO JOURNAL OF CONTEMPORARY PHYSICS-ARMENIAN ACADEMY OF SCIENCES LA English DT Article DE Artem Alikhanian; nuclear physics; cosmic rays AB Artem Alikhanian, famous Soviet physicist, was one of founders of experimental nuclear and cosmic-ray physics in USSR and in Armenia. A result of his activity is subsequent two generations of professional physicists presenting the real wealth of Armenian science. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Matinyan, SH (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ALLERTON PRESS INC PI NEW YORK PA 18 WEST 27TH ST, NEW YORK, NY 10001 USA SN 1068-3372 J9 J CONTEMP PHYS-ARME+ JI J. Contemp. Phys.-Armen. Acad. Sci. PD OCT PY 2009 VL 44 IS 5 BP 217 EP 218 DI 10.3103/S1068337209050028 PG 2 WC Physics, Multidisciplinary SC Physics GA 494ZX UT WOS:000269859900002 ER PT J AU McDonald, P Seljak, U AF McDonald, Patrick Seljak, Uros TI How to evade the sample variance limit on measurements of redshift-space distortions SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE power spectrum; dark matter; surveys galaxies; dark energy theory ID HALO BIAS; GALAXY; STOCHASTICITY; UNIVERSE; DENSITY; MATTER; SCALE AB We show how to use multiple tracers of large-scale density with different biases to measure the redshift-space distortion parameter beta equivalent to b(-1) f equivalent to b(-1) d ln D/d ln a ( where D is the growth factor and a the expansion factor), to, as the signal-to-noise (S/N) of a survey increases, much better precision than one could achieve with a single tracer ( to arbitrary precision in the low noise limit). In combination with the power spectrum of the tracers this would allow a more precise measurement of the bias-free velocity divergence power spectrum, f(2)P(m), with the ultimate, zero noise limit, being that f(2)Pm can be measured as well as would be possible if velocity divergence was observed directly, with maximum rms improvement factor similar to [5.2 (beta(2) + 2 beta + 2)/beta(2)](1/2) (e.g., similar or equal to 10 times better than a single tracer with beta = 0.4). This would allow a determination of f D as a function of redshift with an error as low as similar to 0.1% (again, in the idealized case of the zero noise limit). The ratio b(2)/b(1) can be determined with an even greater precision than beta, potentially producing, when measured as a function of scale, an exquisitely sensitive probe of the onset of non-linear bias. We also extend in more detail previous work on the use of the same technique to measure non-Gaussianity. Currently planned redshift surveys are typically designed with S/N similar to 1 on scales of interest, which severely limits the usefulness of our method. Our results suggest that there are potentially large gains to be achieved from technological or theoretical developments that allow higher S/N, or, in the long term, surveys that simply observe a higher number density of galaxies. C1 [McDonald, Patrick] Univ Toronto, Canadian Inst Theoret Astrophys, Toronto, ON M5S 3H8, Canada. [Seljak, Uros] Univ Calif Berkeley, Dept Phys & Astron, Berkeley, CA 94720 USA. [Seljak, Uros] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Seljak, Uros] Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. [Seljak, Uros] Ewha Womans Univ, Seoul 120750, South Korea. RP McDonald, P (reprint author), Univ Toronto, Canadian Inst Theoret Astrophys, Toronto, ON M5S 3H8, Canada. EM pmcdonal@cita.utoronto.ca; seljak@physik.unizh.ch OI McDonald, Patrick/0000-0001-8346-8394 NR 40 TC 70 Z9 70 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD OCT PY 2009 IS 10 AR 007 DI 10.1088/1475-7516/2009/10/007 PG 29 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 526EZ UT WOS:000272271800007 ER PT J AU Slosar, A Ho, S White, M Louis, T AF Slosar, Anze Ho, Shirley White, Martin Louis, Thibaut TI The acoustic peak in the Lyman alpha forest SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE cosmological simulations; Lyman alpha forest; baryon acoustic oscillations ID LUMINOUS RED GALAXIES; IONIZING-RADIATION FLUCTUATIONS; LARGE-SCALE STRUCTURE; DIGITAL SKY SURVEY; INTERGALACTIC MEDIUM; POWER-SPECTRUM; REDSHIFT SURVEY; MATTER; ANISOTROPIES; STATISTICS AB We present the first simulation of the signature of baryonic acoustic oscillations (BAO) in Lyman-alpha forest data containing 180,000 mock quasar sight-lines. We use eight large dark-matter only simulations onto which we paint the Lyman-alpha field using the fluctuating Gunn-Peterson approximation. We argue that this approach should be sufficient for the mean signature on the scales of interest. Our results indicate that Lyman-alpha flux provides a good tracer of the underlying dark matter field on large scales and that redshift space distortions are well described by a simple linear theory prescription. We compare Fourier and configuration space approaches to describing the signal and argue that configuration space statistics provide useful data compression. We also investigate the effect of a fluctuating photo-ionizing background using a simplified model and find that such fluctuations do add smooth power on large scales. The acoustic peak position is, however, unaffected for small amplitude fluctuations (< 10%). Larger amplitude fluctuations make the recovery of the BAO signal more difficult and may degrade the achievable significance of the measurement. C1 [Slosar, Anze] Univ Calif Berkeley, Dept Phys, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA. [Ho, Shirley] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [White, Martin] Univ Calif Berkeley, Dept Phys & Astron, Berkeley, CA 94720 USA. [Louis, Thibaut] Ecole Normale Super, Dept Phys, F-75005 Paris, France. RP Slosar, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley Ctr Cosmol Phys, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM anze@berkeley.edu; cwho@lbl.gov; mwhite@berkeley.edu; Louis@clipper.ens.fr RI White, Martin/I-3880-2015; OI White, Martin/0000-0001-9912-5070; Slosar, Anze/0000-0002-8713-3695 FU Berkeley Center for Cosmological Physics; NSF; DoE FX Authors acknowledge useful discussions with members of the BOSS Lyman-alpha working group and Uros Seljak. AS is supported by the Berkeley Center for Cosmological Physics. MW is supported by the NSF and DoE. The simulations presented in this paper were carried out using computing resources of the National Energy Research Scientific Computing Center and the Laboratory Research Computing project at Lawrence Berkeley National Laboratory. NR 35 TC 30 Z9 30 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD OCT PY 2009 IS 10 AR 019 DI 10.1088/1475-7516/2009/10/019 PG 18 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 526EZ UT WOS:000272271800019 ER PT J AU Choi, KS Liu, WN Sun, X Khaleel, MA Fekete, JR AF Choi, K. S. Liu, W. N. Sun, X. Khaleel, M. A. Fekete, J. R. TI Influence of Manufacturing Processes and Microstructures on the Performance and Manufacturability of Advanced High Strength Steels SO JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article DE AHSS; microstructure; material property; formability; shear fracture ID DUAL-PHASE STEELS; TRANSFORMATION-INDUCED PLASTICITY; FINITE-ELEMENT-ANALYSIS; MARTENSITIC-TRANSFORMATION; MULTIPHASE STEELS; BEHAVIOR; DEFORMATION; MODEL; DUCTILITY; FERRITE AB Advanced high strength steels (AHSS) are performance-based steel grades and their global material properties can be achieved with various steel chemistries and manufacturing processes, leading to various microstructures. In this paper, we investigate the influence of the manufacturing process and the resulting microstructure difference on the overall mechanical properties, as well as the local formability behaviors of AHSS. For this purpose, we first examined the basic material properties and the transformation kinetics of three different commercial transformation induced plasticity, (TRIP) 800 steels under different testing temperatures. The experimental results show that the mechanical and microstructural properties of the TRIP 800 steels significantly), depend on the thermomechanical processing parameters employed in making these steels. Next, we examined the local formability of two commercial dual phase (DP) 980 steels which exhibit noticeably, different formability, during the stamping process. Microstructure-based finite element analysis are carried out to simulate the localized deformation process with the two DP 980 microstructures, and the results suggest that the possible reason for the difference in formability lies in the morphology of the hard martensite phase in the DP microstructure. The results of this study suggest that a set of updated material acceptance and screening criteria is needed to better quantify and ensure the manufacturability of AHSS. [DOI: 10.1115/1.3183778] C1 [Choi, K. S.; Liu, W. N.; Sun, X.; Khaleel, M. A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Fekete, J. R.] Gen Motors Corp, Warren, MI 48090 USA. RP Sun, X (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM xin.sun@pnl.gov RI Fekete, James/H-6575-2016; OI Fekete, James/0000-0001-5525-5578; khaleel, mohammad/0000-0001-7048-0749 FU Battelle Memorial Institute for the U.S. Department of Energy [DE-AC06-76RL01830]; Department of Energy Office of FreedomCar and Vehicle Technologies FX The Pacific Northwest National Laboratory is operated by the Battelle Memorial Institute for the U.S. Department of Energy under Contract No. DE-AC06-76RL01830. This work was funded by the Department of Energy Office of FreedomCar and Vehicle Technologies under the Automotive Lightweighting Materials Program managed by Dr. Joseph Carpenter. The suppliers and point of contacts who participated in this study are gratefully acknowledged for providing materials and support. NR 20 TC 6 Z9 7 U1 1 U2 6 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-4289 J9 J ENG MATER-T ASME JI J. Eng. Mater. Technol.-Trans. ASME PD OCT PY 2009 VL 131 IS 4 AR 041205 DI 10.1115/1.3183778 PG 9 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 506ZR UT WOS:000270819100009 ER PT J AU Horstemeyer, M Bammann, DJ Khaleel, M AF Horstemeyer, Mark Bammann, Douglas J. Khaleel, Mohamed TI Predictive Science and Technology in Mechanics and Materials SO JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Editorial Material C1 [Horstemeyer, Mark; Bammann, Douglas J.] Mississippi State Univ, Mississippi State, MS 39762 USA. [Khaleel, Mohamed] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Horstemeyer, M (reprint author), Mississippi State Univ, Mississippi State, MS 39762 USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-4289 J9 J ENG MATER-T ASME JI J. Eng. Mater. Technol.-Trans. ASME PD OCT PY 2009 VL 131 IS 4 AR 040301 PG 1 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 506ZR UT WOS:000270819100001 ER PT J AU Kim, SG Horstemeyer, MF Baskes, MI Rais-Rohani, M Kim, S Jelinek, B Houze, J Moitra, A Liyanage, L AF Kim, Seong-Gon Horstemeyer, M. F. Baskes, M. I. Rais-Rohani, Masoud Kim, Sungho Jelinek, B. Houze, J. Moitra, Amitava Liyanage, Laalitha TI Semi-Empirical Potential Methods for Atomistic Simulations of Metals and Their Construction Procedures SO JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article ID EMBEDDED-ATOM-METHOD; MOLECULAR-DYNAMICS; HCP METALS; INTERATOMIC POTENTIALS; SURFACE-ENERGY; THERMODYNAMIC PROPERTIES; TRANSITION-METALS; SILICON; SYSTEM; MAGNESIUM AB General theory of semi-empirical potential methods including embedded-atom method and modified-embedded-atom method (MEAM) is reviewed. The procedures to construct these potentials are also reviewed. A multi-objective optimization (MOO) procedure has been developed to construct MEAM potentials with minimal manual fitting. This procedure has been applied successfully to develop a new MEAM potential for magnesium. The MOO procedure is designed to optimally reproduce multiple target values that consist of important material properties obtained from experiments and first-principle calculations based. on density-functional theory. The optimized target quantities include elastic constants, cohesive energies, surface energies, vacancy-formation energies, and the forces on atoms in a variety of structures. The accuracy of the present potential is assessed computing several material properties of Mg including their thermal properties. We found that the new MEAM potential shows a significant improvement over previously published potentials, especially for the atomic forces and melting temperature calculations. [DOI: 10.1115/1.3183784] C1 [Kim, Seong-Gon] Mississippi State Univ, Dept Phys & Astron, Ctr Adv Vehicular Syst, Mississippi State, MS 39762 USA. [Kim, Seong-Gon] Mississippi State Univ, Ctr Computat Sci, Mississippi State, MS 39762 USA. [Horstemeyer, M. F.] Mississippi State Univ, Dept Mech Engn, Mississippi State, MS 39762 USA. [Baskes, M. I.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Rais-Rohani, Masoud] Mississippi State Univ, Dept Aerosp Engn, Mississippi State, MS 39762 USA. RP Kim, SG (reprint author), Mississippi State Univ, Dept Phys & Astron, Ctr Adv Vehicular Syst, Mississippi State, MS 39762 USA. EM kimsg@hpc.msstate.edu RI Jelinek, Bohumir/C-4376-2008; OI Jelinek, Bohumir/0000-0002-2622-4235; Horstemeyer, Mark/0000-0003-4230-0063 FU U.S. Department of Energy [DE-AC05-00OR22725, 4000054701]; Center for Advanced Vehicular Systems (CAVS) at Mississippi State University FX This work has been supported in part by the U.S. Department of Energy under Grant No. DE-AC05-00OR22725, subcontract No. 4000054701, and the Center for Advanced Vehicular Systems (CAVS) at Mississippi State University. Computer time allocation has been provided by the High Performance Computing Collaboratory (HpC2) at Mississippi State University. NR 83 TC 6 Z9 6 U1 2 U2 20 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-4289 J9 J ENG MATER-T ASME JI J. Eng. Mater. Technol.-Trans. ASME PD OCT PY 2009 VL 131 IS 4 AR 041210 DI 10.1115/1.3183784 PG 9 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 506ZR UT WOS:000270819100014 ER PT J AU Li, DS Garmestani, H Ahzi, S Khaleel, M Ruch, D AF Li, D. S. Garmestani, H. Ahzi, S. Khaleel, M. Ruch, D. TI Microstructure Design to Improve Wear Resistance in Bioimplant UHMWPE Materials SO JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article DE materials design; bioimplant; UHMWPE; wear resistance ID MOLECULAR-WEIGHT POLYETHYLENE; CRYSTALLOGRAPHIC TEXTURE EVOLUTION; HIGH-DENSITY POLYETHYLENE; REVISION TOTAL HIP; SEMICRYSTALLINE POLYMERS; PLASTIC-DEFORMATION; ELASTIC PROPERTIES; UNITED-STATES; BEHAVIOR; ARTHROPLASTY AB A microstructure design framework for multiscale modeling of wear resistance in bioimplant materials is presented here. The increase in service lifetime of arthroplasty depends on whether we can predict wear resistance and microstructure evolution of a bioimplant material made from ultra high molecular weight polyethylene during processing. Experimental results show that the anisotropy introduced during deformation increases wear resistance in desired directions. After uniaxial compression, wear resistance along the direction, perpendicular to compression direction, increased 3.3 times. Micromechanical models are used to predict microstructure evolution and the improvement in wear resistance during processing. Predicted results agree well with the experimental data. These models may guide the materials designer to optimize processing to achieve better wear behavior along desired directions. [DOI: 10.1115/1.3183786] C1 [Li, D. S.; Garmestani, H.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Ahzi, S.] Univ Strasbourg, IMFS, F-67000 Strasbourg, France. [Khaleel, M.] Pacific NW Natl Lab, Dept Math & Computat Sci, Richland, WA 99352 USA. [Ruch, D.] AMS, Publ Res Ctr Henri Tudor, Luxembourg, Luxembourg. RP Li, DS (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, 771 Ferst Dr, Atlanta, GA 30332 USA. EM dli@gatech.edu; hamid.garmestani@mse.gatech.edu; ahzi@imfs.u-strasbg.fr; moe.khaleel@pnl.gov; david.ruch@tudor.lu OI khaleel, mohammad/0000-0001-7048-0749 NR 30 TC 2 Z9 2 U1 1 U2 8 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-4289 J9 J ENG MATER-T ASME JI J. Eng. Mater. Technol.-Trans. ASME PD OCT PY 2009 VL 131 IS 4 AR 041211 DI 10.1115/1.3183786 PG 7 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 506ZR UT WOS:000270819100015 ER PT J AU Ho, CK Arnold, BW Altman, SJ AF Ho, Clifford K. Arnold, Bill W. Altman, Susan J. TI Dual-Permeability Modeling of Capillary Diversion and Drift Shadow Effects in Unsaturated Fractured Rock SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article DE capillarity; flow through porous media; fracture; permeability; rocks; water ID CONTINUUM MODEL AB The drift-shadow effect describes capillary diversion of water flow around a drift or cavity in porous or fractured rock, resulting in lower water flux directly beneath the cavity. This paper presents computational simulations of drift-shadow experiments using dual-permeability models, similar to the models used for performance assessment analyses of flow and seepage in unsaturated fractured tuff at Yucca Mountain. Comparisons were made between the simulations and experimental data from small-scale drift-shadow tests. Results showed that the dual-permeability models captured the salient trends and behavior observed in the experiments, but constitutive relations (e.g., fracture capillary-pressure curves) can significantly affect the simulated results. Lower water flux beneath the drift was observed in both the simulations and tests, and fingerlike flow patterns were seen to exist with lower simulated capillary pressures. The dual-permeability models used in this analysis were capable of simulating these processes. However, features such as irregularities along the top of the drift (e.g., from roof collapse) and heterogeneities in the fracture network may reduce the impact of capillary diversion and drift shadow. An evaluation of different meshes showed that at the grid refinement used, a comparison between orthogonal and unstructured meshes did not result in large differences. C1 [Ho, Clifford K.; Arnold, Bill W.; Altman, Susan J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ho, CK (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ckho@sandia.gov NR 11 TC 0 Z9 0 U1 0 U2 1 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD OCT PY 2009 VL 131 IS 10 AR 101012 DI 10.1115/1.3180700 PG 6 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 480PY UT WOS:000268749900013 ER PT J AU Aaron, FD Abramowicz, H Abt, I Adamczyk, L Adamus, M Martin, MA Alexa, C Alimujiang, K Andreev, V Antonelli, S Antonioli, P Antonov, A Antunovic, B Arneodo, M Asmone, A Aushev, V Bachynska, O Backovic, S Baghdasaryan, A Bamberger, A Barakbaev, AN Barbagli, G Bari, G Barreiro, F Barrelet, E Bartel, W Bartsch, D Basile, M Begzsuren, K Behnke, O Behr, J Behrens, U Bellagamba, L Belousov, A Bertolin, A Bhadra, S Bindi, M Bizot, JC Blohm, C Bold, T Boos, EG Borodin, M Borras, K Boscherini, D Bot, D Boudry, V Boutle, SK Bozovic-Jelisavcic, I Bracinik, J Brandt, G Brinkmann, M Brisson, V Brock, I Brownson, E Brugnera, R Brummer, N Bruncko, D Bruni, A Bruni, G Brzozowska, B Bunyatyan, A Buschhorn, G Bussey, PJ Butterworth, JM Bylsma, B Bystritskaya, L Caldwell, A Campbell, AJ Avila, KBC Capua, M Carlin, R Cassol-Brunner, F Catterall, CD Cerny, K Cerny, V Chekanov, S Chekelian, V Cholewa, A Chwastowski, J Ciborowski, J Ciesielski, R Cifarelli, L Cindolo, F Contin, A Contreras, JG Cooper-Sarkar, AM Coppola, N Corradi, M Corriveau, F Costa, M Coughlan, JA Cozzika, G Cvach, J D'Agostini, G Dainton, JB Dal Corso, F Daum, K Deak, M de Boer, Y de Favereau, J Delcourt, B Del Degan, M del Peso, J Delvax, J Dementiev, RK De Pasquale, S Derrick, M Devenish, RCE De Wolf, EA Diaconu, C Dobur, D Dodonov, V Dolgoshein, BA Dossanov, A Doyle, AT Drugakov, V Dubak, A Durkin, LS Dusini, S Eckerlin, G Efremenko, V Egli, S Eisenberg, Y Eliseev, A Elsen, E Ermolov, PF Eskreys, A Falkiewicz, A Fang, S Favart, L Fazio, S Fedotov, A Felst, R Feltesse, J Ferencei, J Ferrando, J Ferrero, MI Figiel, J Fischer, DJ Fleischer, M Fomenko, A Forrest, M Foster, B Fourletov, S Gabathuler, E Galas, A Gallo, E Garfagnini, A Gayler, J Geiser, A Ghazaryan, S Gialas, I Gladilin, LK Gladkov, D Glasman, C Glazov, A Glushkov, I Goerlich, L Gogitidze, N Golubkov, YA Gottlicher, P Gouzevitch, M Grab, C Grabowska-Bold, I Grebenyuk, J Greenshaw, T Gregor, I Grell, BR Grigorescu, G Grindhammer, G Grzelak, G Gwenlan, C Haas, T Habib, S Haidt, D Hain, W Hamatsu, R Hart, JC Hartmann, H Hartner, G Helebrant, C Henderson, RCW Hennekemper, E Henschel, H Herbst, M Herrera, G Hildebrandt, M Hilger, E Hiller, KH Hochman, D Hoffmann, D Holm, U Hori, R Horisberger, R Horton, K Hreus, T Huttmann, A Iacobucci, G Ibrahim, ZA Iga, Y Ingbir, R Ishitsuka, M Jacquet, M Jakob, HP Janssen, ME Janssen, X Januschek, F Jimenez, M Jones, TW Jonsson, L Jung, AW Jung, H Jungst, M Kadenko, I Kahle, B Kamaluddin, B Kananov, S Kanno, T Kapichine, M Karshon, U Karstens, F Katkov, II Katzy, J Kaur, M Kaur, P Kenyon, IR Keramidas, A Khein, LA Kiesling, C Kim, JY Kisielewska, D Kitamura, S Klanner, R Klein, M Klein, U Kleinwort, C Kluge, T Knutsson, A Koffeman, E Kogler, R Kollar, D Kooijman, P Korzhavina, IA Kostka, P Kotanski, A Kotz, U Kowalski, H Kraemer, M Krastev, K Kretzschmar, J Kropivnitskaya, A Kruger, K Kulinski, P Kuprash, O Kutak, K Kuze, M Kuzmin, VA Landon, MPJ Lange, W Lastovicka-Medin, G Laycock, P Lebedev, A Lee, A Leibenguth, G Lendermann, V Levchenko, BB Levonian, S Levy, A Li, G Libov, V Limentani, S Ling, TY Lipka, K Liptaj, A Lisovyi, M List, B List, J Lobodzinska, E Lohmann, W Lohr, B Lohrmann, E Loizides, JH Loktionova, N Long, KR Longhin, A Lontkovskyi, D Lopez-Fernandez, R Lubimov, V Lukasik, J Lukina, OY Luzniak, P Lytkin, L Maeda, J Magill, S Makankine, A Makarenko, I Malinovski, E Malka, J Mankel, R Marage, P Margotti, A Marini, G Marti, L Martin, JF Martyn, HU Mastroberardino, A Matsumoto, T Mattingly, MCK Maxfield, SJ Mehta, A Melzer-Pellmann, IA Meyer, AB Meyer, H Meyer, H Meyer, J Michels, V Miglioranzi, S Mikocki, S Milcewicz-Mika, I Idris, FM Monaco, V Montanari, A Moreau, F Morozov, A Morris, JD Morris, JV Mozer, MU Mudrinic, M Muller, K Murin, P Musgrave, B Nagano, K Namsoo, T Nania, R Naumann, T Newman, PR Nicholass, D Niebuhr, C Nigro, A Nikiforov, A Ning, Y Noor, U Notz, D Nowak, G Nowak, K Nowak, RJ Nozicka, M Nuncio-Quiroz, AE Oh, BY Okazaki, N Oliver, K Olivier, B Olkiewicz, K Olsson, JE Osman, S Ota, O Ozerov, D Palichik, V Panagoulias, I Pandurovic, M Papadopoulou, T Papageorgiu, K Parenti, A Pascaud, C Patel, GD Paul, E Pawlak, JM Pawlik, B Pejchal, O Pelfer, PG Pellegrino, A Perez, E Perlanski, W Perrey, H Petrukhin, A Picuric, I Piec, S Piotrzkowski, K Pitzl, D Placakythe, R Plucinski, P Pokorny, B Pokrovskiy, NS Polifka, R Polini, A Povh, B Preda, T Proskuryakov, AS Przybycien, M Radescu, V Rahmat, AJ Raicevic, N Raspiareza, A Raval, A Ravdandorj, T Reeder, DD Reimer, P Reisert, B Ren, Z Repond, J Ri, YD Rizvi, E Robertson, A Robmann, P Roland, B Roloff, P Ron, E Roosen, R Rostovtsev, A Rotaru, M Rubinsky, I Tabasco, JER Rurikova, Z Rusakov, S Ruspa, M Sacchi, R Salek, D Samson, U Sankey, DPC Sartorelli, G Sauter, M Sauvan, E Savin, AA Saxon, DH Schioppa, M Schlenstedt, S Schleper, P Schmidke, WB Schmitt, S Schneekloth, U Schoeffel, L Schonberg, V Schoning, A Schorner-Sadenius, T Schultz-Coulon, HC Schwartz, J Sciulli, F Sefkow, F Shaw-West, RN Shcheglova, LM Shehzadi, R Shimizu, S Shtarkov, LN Shushkevich, S Singh, I Skillicorn, IO Sloan, T Slominski, W Smiljanic, I Smith, WH Sola, V Solano, A Soloviev, Y Son, D Sopicki, P Sorokin, I Sosnovtsev, V South, D Spaskov, V Specka, A Spiridonov, A Stadie, H Stanco, L Staykova, Z Steder, M Stella, B Stern, A Stewart, TP Stifutkin, A Stoicea, G Stopa, P Straumann, U Suchkov, S Sunar, D Susinno, G Suszycki, L Sykora, T Sztuk, J Szuba, D Szuba, J Tapper, AD Tassi, E Tchoulakov, V Terron, J Theedt, T Thompson, G Thompson, PD Tiecke, H Tokushuku, K Toll, T Tomasz, F Tomaszewska, J Tran, TH Traynor, D Trinh, TN Truol, P Tsakov, I Tseepeldorj, B Tsurugai, T Turcato, M Turnau, J Tymieniecka, T Urban, K Uribe-Estrada, C Valkarovha, A Vallee, C Van Mechelen, P Trevino, AV Vazdik, Y Vazquez, M Verbytskyi, A Vinokurova, S Vlasov, NN Volchinski, V Volynets, O von den Driesch, M Walczak, R Abdullah, WATW Wegener, D Whitmore, JJ Whyte, J Wiggers, L Wing, M Wissing, C Wlasenko, M Wolf, G Wolfe, H Wrona, K Wunsch, E Yagues-Molina, AG Yamada, S Yamazaki, Y Yoshida, R Youngman, C Zacek, J Zalesak, J Zarnecki, AF Zawiejski, L Zeuner, W Zhang, Z Zhautykov, BO Zhokin, A Zhou, C Zichichi, A Zimmermann, T Zohrabyan, H Zolko, M Zomer, F Zotkin, DS Zus, R AF Aaron, F. D. Abramowicz, H. Abt, I. Adamczyk, L. Adamus, M. Martin, M. Aldaya Alexa, C. Alimujiang, K. Andreev, V. Antonelli, S. Antonioli, P. Antonov, A. Antunovic, B. Arneodo, M. Asmone, A. Aushev, V. Bachynska, O. Backovic, S. Baghdasaryan, A. Bamberger, A. Barakbaev, A. N. Barbagli, G. Bari, G. Barreiro, F. Barrelet, E. Bartel, W. Bartsch, D. Basile, M. Begzsuren, K. Behnke, O. Behr, J. Behrens, U. Bellagamba, L. Belousov, A. Bertolin, A. Bhadra, S. Bindi, M. Bizot, J. C. Blohm, C. Bold, T. Boos, E. G. Borodin, M. Borras, K. Boscherini, D. Bot, D. Boudry, V. Boutle, S. K. Bozovic-Jelisavcic, I. Bracinik, J. Brandt, G. Brinkmann, M. Brisson, V. Brock, I. Brownson, E. Brugnera, R. Bruemmer, N. Bruncko, D. Bruni, A. Bruni, G. Brzozowska, B. Bunyatyan, A. Buschhorn, G. Bussey, P. J. Butterworth, J. M. Bylsma, B. Bystritskaya, L. Caldwell, A. Campbell, A. J. Cantun Avila, K. B. Capua, M. Carlin, R. Cassol-Brunner, F. Catterall, C. D. Cerny, K. Cerny, V. Chekanov, S. Chekelian, V. Cholewa, A. Chwastowski, J. Ciborowski, J. Ciesielski, R. Cifarelli, L. Cindolo, F. Contin, A. Contreras, J. G. Cooper-Sarkar, A. M. Coppola, N. Corradi, M. Corriveau, F. Costa, M. Coughlan, J. A. Cozzika, G. Cvach, J. D'Agostini, G. Dainton, J. B. Dal Corso, F. Daum, K. Deak, M. de Boer, Y. de Favereau, J. Delcourt, B. Del Degan, M. del Peso, J. Delvax, J. Dementiev, R. K. De Pasquale, S. Derrick, M. Devenish, R. C. E. De Wolf, E. A. Diaconu, C. Dobur, D. Dodonov, V. Dolgoshein, B. A. Dossanov, A. Doyle, A. T. Drugakov, V. Dubak, A. Durkin, L. S. Dusini, S. Eckerlin, G. Efremenko, V. Egli, S. Eisenberg, Y. Eliseev, A. Elsen, E. Ermolov, P. F. Eskreys, A. Falkiewicz, A. Fang, S. Favart, L. Fazio, S. Fedotov, A. Felst, R. Feltesse, J. Ferencei, J. Ferrando, J. Ferrero, M. I. Figiel, J. Fischer, D. -J. Fleischer, M. Fomenko, A. Forrest, M. Foster, B. Fourletov, S. Gabathuler, E. Galas, A. Gallo, E. Garfagnini, A. Gayler, J. Geiser, A. Ghazaryan, S. Gialas, I. Gladilin, L. K. Gladkov, D. Glasman, C. Glazov, A. Glushkov, I. Goerlich, L. Gogitidze, N. Golubkov, Yu. A. Goettlicher, P. Gouzevitch, M. Grab, C. Grabowska-Bold, I. Grebenyuk, J. Greenshaw, T. Gregor, I. Grell, B. R. Grigorescu, G. Grindhammer, G. Grzelak, G. Gwenlan, C. Haas, T. Habib, S. Haidt, D. Hain, W. Hamatsu, R. Hart, J. C. Hartmann, H. Hartner, G. Helebrant, C. Henderson, R. C. W. Hennekemper, E. Henschel, H. Herbst, M. Herrera, G. Hildebrandt, M. Hilger, E. Hiller, K. H. Hochman, D. Hoffmann, D. Holm, U. Hori, R. Horisberger, R. Horton, K. Hreus, T. Huettmann, A. Iacobucci, G. Ibrahim, Z. A. Iga, Y. Ingbir, R. Ishitsuka, M. Jacquet, M. Jakob, H. -P. Janssen, M. E. Janssen, X. Januschek, F. Jimenez, M. Jones, T. W. Jonsson, L. Jung, A. W. Jung, H. Juengst, M. Kadenko, I. Kahle, B. Kamaluddin, B. Kananov, S. Kanno, T. Kapichine, M. Karshon, U. Karstens, F. Katkov, I. I. Katzy, J. Kaur, M. Kaur, P. Kenyon, I. R. Keramidas, A. Khein, L. A. Kiesling, C. Kim, J. Y. Kisielewska, D. Kitamura, S. Klanner, R. Klein, M. Klein, U. Kleinwort, C. Kluge, T. Knutsson, A. Koffeman, E. Kogler, R. Kollar, D. Kooijman, P. Korzhavina, I. A. Kostka, P. Kotanski, A. Koetz, U. Kowalski, H. Kraemer, M. Krastev, K. Kretzschmar, J. Kropivnitskaya, A. Krueger, K. Kulinski, P. Kuprash, O. Kutak, K. Kuze, M. Kuzmin, V. A. Landon, M. P. J. Lange, W. Lastovicka-Medin, G. Laycock, P. Lebedev, A. Lee, A. Leibenguth, G. Lendermann, V. Levchenko, B. B. Levonian, S. Levy, A. Li, G. Libov, V. Limentani, S. Ling, T. Y. Lipka, K. Liptaj, A. Lisovyi, M. List, B. List, J. Lobodzinska, E. Lohmann, W. Loehr, B. Lohrmann, E. Loizides, J. H. Loktionova, N. Long, K. R. Longhin, A. Lontkovskyi, D. Lopez-Fernandez, R. Lubimov, V. Lukasik, J. Lukina, O. Yu. Luzniak, P. Lytkin, L. Maeda, J. Magill, S. Makankine, A. Makarenko, I. Malinovski, E. Malka, J. Mankel, R. Marage, P. Margotti, A. Marini, G. Marti, Ll. Martin, J. F. Martyn, H. -U. Mastroberardino, A. Matsumoto, T. Mattingly, M. C. K. Maxfield, S. J. Mehta, A. Melzer-Pellmann, I. -A. 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Rahmat, A. J. Raicevic, N. Raspiareza, A. Raval, A. Ravdandorj, T. Reeder, D. D. Reimer, P. Reisert, B. Ren, Z. Repond, J. Ri, Y. D. Rizvi, E. Robertson, A. Robmann, P. Roland, B. Roloff, P. Ron, E. Roosen, R. Rostovtsev, A. Rotaru, M. Rubinsky, I. Ruiz Tabasco, J. E. Rurikova, Z. Rusakov, S. Ruspa, M. Sacchi, R. Salek, D. Samson, U. Sankey, D. P. C. Sartorelli, G. Sauter, M. Sauvan, E. Savin, A. A. Saxon, D. H. Schioppa, M. Schlenstedt, S. Schleper, P. Schmidke, W. B. Schmitt, S. Schneekloth, U. Schoeffel, L. Schoenberg, V. Schoening, A. Schoerner-Sadenius, T. Schultz-Coulon, H. -C. Schwartz, J. Sciulli, F. Sefkow, F. Shaw-West, R. N. Shcheglova, L. M. Shehzadi, R. Shimizu, S. Shtarkov, L. N. Shushkevich, S. Singh, I. Skillicorn, I. O. Sloan, T. Slominski, W. Smiljanic, I. Smith, W. H. Sola, V. Solano, A. Soloviev, Y. Son, D. Sopicki, P. Sorokin, Iu. Sosnovtsev, V. South, D. Spaskov, V. Specka, A. Spiridonov, A. Stadie, H. Stanco, L. Staykova, Z. Steder, M. Stella, B. Stern, A. Stewart, T. P. Stifutkin, A. Stoicea, G. Stopa, P. Straumann, U. Suchkov, S. Sunar, D. Susinno, G. Suszycki, L. Sykora, T. Sztuk, J. Szuba, D. Szuba, J. Tapper, A. D. Tassi, E. Tchoulakov, V. Terron, J. Theedt, T. Thompson, G. Thompson, P. D. Tiecke, H. Tokushuku, K. Toll, T. Tomasz, F. Tomaszewska, J. Tran, T. H. Traynor, D. Trinh, T. N. Truoel, P. Tsakov, I. Tseepeldorj, B. Tsurugai, T. Turcato, M. Turnau, J. Tymieniecka, T. Urban, K. Uribe-Estrada, C. Valkarovha, A. Vallee, C. Van Mechelen, P. Trevino, A. Vargas Vazdik, Y. Vazquez, M. Verbytskyi, A. Vinokurova, S. Vlasov, N. N. Volchinski, V. Volynets, O. von den Driesch, M. Walczak, R. Abdullah, W. A. T. Wan Wegener, D. Whitmore, J. J. Whyte, J. Wiggers, L. Wing, M. Wissing, Ch. Wlasenko, M. Wolf, G. Wolfe, H. Wrona, K. Wuensch, E. Yaguees-Molina, A. G. Yamada, S. Yamazaki, Y. Yoshida, R. Youngman, C. Zacek, J. Zalesak, J. Zarnecki, A. F. Zawiejski, L. Zeuner, W. Zhang, Z. Zhautykov, B. O. Zhokin, A. Zhou, C. Zichichi, A. Zimmermann, T. Zohrabyan, H. Zolko, M. Zomer, F. Zotkin, D. S. Zus, R. CA H1 Collaborations ZEUS Collaborations TI Multi-leptons with high transverse momentum at HERA SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Lepton-Nucleon Scattering ID EP COLLISIONS; CALORIMETER AB Events with at least two high transverse momentum leptons (electrons or muons) are studied using the H1 and ZEUS detectors at HERA with an integrated luminosity of 0.94 fb(-1). The observed numbers of events are in general agreement with the Standard Model predictions. Seven di- and tri-lepton events are observed in e(+)p collision data with a scalar sum of the lepton transverse momenta above 100 GeV while 1.94 +/- 0.17 events are expected. Such events are not observed in e(-)p collisions for which 1.19 +/- 0.12 are predicted. Total visible and differential di-electron and di-muon photoproduction cross sections are extracted in a restricted phase space dominated by photon-photon collisions. C1 [Aaron, F. 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EM mturcato@mail.desy.de RI Proskuryakov, Alexander/J-6166-2012; Dementiev, Roman/K-7201-2012; Janssen, Xavier/E-1915-2013; Reimer, Petr/G-5903-2014; Cvach, Jaroslav/G-6269-2014; Zalesak, Jaroslav/G-5691-2014; Korzhavina, Irina/D-6848-2012; Wiggers, Leo/B-5218-2015; Tassi, Enrico/K-3958-2015; Levonian, Sergey/M-8693-2015; Soloviev, Yury/M-8788-2015; Andreev, Vladimir/M-8665-2015; IBRAHIM, ZAINOL ABIDIN/C-1121-2010; Fazio, Salvatore /G-5156-2010; Zus, Roxana/C-5170-2011; WAN ABDULLAH, WAN AHMAD TAJUDDIN/B-5439-2010; Alexa, Calin/F-6345-2010; Doyle, Anthony/C-5889-2009; Ferrando, James/A-9192-2012; Rotaru, Marina/A-3097-2011; Gladilin, Leonid/B-5226-2011; Levchenko, B./D-9752-2012; Stoicea, Gabriel/B-6717-2011; Aaron, Francis Dionisie/C-2320-2011; Capua, Marcella/A-8549-2015; Fomenko, Alexander/I-7900-2014; Lebedev, Andrey/M-9710-2015; Malinovski, Evgenii/N-1034-2015; Gogitidze, Nelli/N-1224-2015; Eliseev, Alexandr/N-2090-2015; Belousov, Anatoli/N-2102-2015; Vazdik, Iakov/N-2624-2015; Ozerov, Dmitry/E-9139-2016; Suchkov, Sergey/M-6671-2015; De Pasquale, Salvatore/B-9165-2008; dusini, stefano/J-3686-2012; Kapishin, Mikhail/H-5834-2013 OI Zalesak, Jaroslav/0000-0002-4519-4705; Wiggers, Leo/0000-0003-1060-0520; Soloviev, Yury/0000-0003-1136-2827; Doyle, Anthony/0000-0001-6322-6195; Ferrando, James/0000-0002-1007-7816; Rotaru, Marina/0000-0003-3303-5683; Gladilin, Leonid/0000-0001-9422-8636; Stoicea, Gabriel/0000-0002-7511-4614; Aaron, Francis Dionisie/0000-0002-7342-829X; Capua, Marcella/0000-0002-2443-6525; Arneodo, Michele/0000-0002-7790-7132; Chwastowski, Janusz/0000-0002-6190-8376; Longhin, Andrea/0000-0001-9103-9936; Raval, Amita/0000-0003-0164-4337; De Pasquale, Salvatore/0000-0001-9236-0748; dusini, stefano/0000-0002-1128-0664; Kapishin, Mikhail/0000-0001-8473-4631 NR 12 TC 5 Z9 5 U1 0 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD OCT PY 2009 IS 10 AR 013 DI 10.1088/1126-6708/2009/10/013 PG 18 WC Physics, Particles & Fields SC Physics GA 516LD UT WOS:000271542800013 ER PT J AU Aoki, S Ishikawa, KI Ishizuka, N Izubuchi, T Kadoh, D Kanaya, K Kuramashi, Y Murano, K Namekawa, Y Okawa, M Taniguchi, Y Ukawa, A Ukita, N Yoshie, T AF Aoki, S. Ishikawa, K. -I. Ishizuka, N. Izubuchi, T. Kadoh, D. Kanaya, K. Kuramashi, Y. Murano, K. Namekawa, Y. Okawa, M. Taniguchi, Y. Ukawa, A. Ukita, N. Yoshie, T. TI Precise determination of the strong coupling constant in N-f=2+1 lattice QCD with the Schrodinger functional scheme SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Lattice Gauge Field Theories; Renormalization Group ID MINIMAL-SUBTRACTION SCHEME; HEAVY QUARKS; ONE-LOOP; COMPUTATION; THRESHOLDS; LAMBDA AB We present an evaluation of the running coupling constant for N-f = 2 + 1 QCD. The Schrodinger functional scheme is used as the intermediate scheme to carry out non-perturbative running from the low energy region, where physical scale is introduced, to deep in the high energy perturbative region, where conversion to the (MS) over bar scheme is safely performed. Possible systematic errors due to the use of perturbation theory occur only in the conversion from three-flavor to four-flavor running coupling constant near the charm mass threshold, where higher order terms beyond 5th order in the beta function may not be negligible. For numerical simulations we adopted Iwasaki gauge action and non-perturbatively improved Wilson fermion action with the clover term. Seven renormalization scales are used to cover from low to high energy region and three lattice spacings to take the continuum limit at each scale. A physical scale is introduced from the previous N-f = 2 + 1 simulation of the CP-PACS/JL-QCD collaboration [1], which covered the up-down quark mass range heavier than m(pi) similar to 500 MeV. Our final result is a alpha((MS) over bar)(M-Z) = 0.12047(81)(48)((+0)(-173)) and Lambda((Nf=5))((MS) over bar) = 239(10)(6)((+0)(-22)) MeV. C1 [Aoki, S.; Ishizuka, N.; Kanaya, K.; Kuramashi, Y.; Murano, K.; Taniguchi, Y.; Yoshie, T.] Univ Tsukuba, Grad Sch Pure & Appl Sci, Tsukuba, Ibaraki 3058571, Japan. [Aoki, S.; Izubuchi, T.] Brookhaven Natl Lab, RIKEN, BNL Res Ctr, Upton, NY 11973 USA. [Ishikawa, K. -I.; Okawa, M.] Hiroshima Univ, Grad Sch Sci, Hiroshima 7398526, Japan. [Ishizuka, N.; Kuramashi, Y.; Namekawa, Y.; Taniguchi, Y.; Ukawa, A.; Ukita, N.; Yoshie, T.] Univ Tsukuba, Ctr Computat Phys, Tsukuba, Ibaraki 3058577, Japan. [Kadoh, D.] RIKEN, Inst Phys & Chem Res, Theoret Phys Lab, Wako, Saitama 3510198, Japan. RP Aoki, S (reprint author), Univ Tsukuba, Grad Sch Pure & Appl Sci, Tsukuba, Ibaraki 3058571, Japan. EM saoki@het.ph.tsukuba.ac.jp; ishikawa@theo.phys.sci.hiroshima-u.ac.jp; ishizuka@ccs.tsukuba.ac.jp; izubuchi@quark.phy.bnl.gov; kadoh@ccs.tsukuba.ac.jp; kanaya@ccs.tsukuba.ac.jp; kuramasi@het.ph.tsukuba.ac.jp; murano@het.ph.tsukuba.ac.jp; namekawa@het.ph.tsukuba.ac.jp; okawa@sci.hiroshima-u.ac.jp; tanigchi@het.ph.tsukuba.ac.jp; ukawa.akira.gf@un.tsukuba.ac.jp; ukita@ccs.tsukuba.ac.jp; yoshie@ccs.tsukuba.ac.jp RI Ukawa, Akira/A-6549-2011; Kuramashi, Yoshinobu /C-8637-2016 FU Ministry of Education, Culture, Sports, Science and Technology-Japan [18740130, 18104005, 20340047, 20105001, 20105003, 21340049] FX This work is supported in part by Grants-in-Aid of the Ministry of Education, Culture, Sports, Science and Technology-Japan (Nos. 18740130, 18104005, 20340047, 20105001,20105003, 21340049). NR 40 TC 23 Z9 23 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD OCT PY 2009 IS 10 AR 053 DI 10.1088/1126-6708/2009/10/053 PG 22 WC Physics, Particles & Fields SC Physics GA 516LD UT WOS:000271542800053 ER PT J AU Graesser, ML Kitano, R Kurachi, M AF Graesser, Michael L. Kitano, Ryuichiro Kurachi, Masafumi TI Higgsinoless supersymmetry and hidden gravity SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Supersymmetry Phenomenology ID ELECTROWEAK SYMMETRY-BREAKING; NON-LINEAR REALIZATIONS; YANG-MILLS THEORY; PHENOMENOLOGICAL LAGRANGIANS; LOCAL SYMMETRY; BROKEN SUPERSYMMETRY; HIGGS SECTOR; FIELD-THEORY; GAUGE BOSON; MODEL AB We present a simple formulation of non-linear supersymmetry where super-fields and partnerless fields can coexist. Using this formalism, we propose a supersymmetric Standard Model without the Higgsino as an effective model for the TeV-scale supersymmetry breaking scenario. We also consider an application of the Hidden Local Symmetry in non-linear supersymmetry, where we can naturally incorporate a spin-two resonance into the theory in a manifestly supersymmetric way. Possible signatures at the LHC experiments are discussed. C1 [Graesser, Michael L.; Kurachi, Masafumi] Los Alamos Natl Lab, Theoret Div T 2, Los Alamos, NM 87545 USA. [Kitano, Ryuichiro] Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan. RP Graesser, ML (reprint author), Los Alamos Natl Lab, Theoret Div T 2, POB 1663, Los Alamos, NM 87545 USA. EM mgraesser@lanl.gov; kitano@tuhep.phys.tohoku.ac.jp; kurachi@tuhep.phys.tohoku.ac.jp FU U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; LANL Director; Japan Ministry of Education, Culture, Sports, Science and Technology [18071001] FX The work of M. G. and M. K. is supported by the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. Additional support for M. K. is provided by a LANL Director's Fellowship. The work of R. K. is supported in part by the Grant-in-Aid for Scientific Research ( No. 18071001) from the Japan Ministry of Education, Culture, Sports, Science and Technology. NR 93 TC 3 Z9 3 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD OCT PY 2009 IS 10 AR 077 DI 10.1088/1126-6708/2009/10/077 PG 26 WC Physics, Particles & Fields SC Physics GA 516LD UT WOS:000271542800077 ER PT J AU Bauer, D AF Bauer, Diana TI Environmental Policy SO JOURNAL OF INDUSTRIAL ECOLOGY LA English DT Editorial Material C1 [Bauer, Diana] US DOE, Off Policy & Int Affairs, Washington, DC 20585 USA. [Bauer, Diana] US EPA, Extramural Res Programs, Washington, DC 20460 USA. RP Bauer, D (reprint author), US DOE, Off Policy & Int Affairs, PI-41 1000 Independence Ave SW,Room 7H-064, Washington, DC 20585 USA. EM diana.bauer@hq.doe.gov NR 5 TC 1 Z9 1 U1 0 U2 1 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1088-1980 J9 J IND ECOL JI J. Ind. Ecol. PD OCT PY 2009 VL 13 IS 5 BP 666 EP 669 DI 10.1111/j.1530-9290.2009.00164.x PG 4 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Environmental; Environmental Sciences SC Science & Technology - Other Topics; Engineering; Environmental Sciences & Ecology GA 522CA UT WOS:000271974100006 ER PT J AU Agostino, L Bauer, G Beccati, B Behrens, U Berryhil, J Biery, K Bose, T Brett, A Branson, J Cano, E Cheung, H Ciganek, M Cittolin, S Coarasa, JA Dahmes, B Deldicque, C Dusinberre, E Erhan, S Gigi, D Glege, F Gomez-Reino, R Gutleber, J Hatton, D Laurens, J Loizides, C Ma, F Meijers, F Meschi, E Meyer, A Mommsen, RK Moser, R O'Dell, V Oh, A Orsini, L Patras, V Paus, C Petrucci, A Pieri, M Racz, A Sakulin, H Sani, M Schieferdecker, P Schwick, C Margaleff, JFS Shpakov, D Simon, S Sumorok, K Yoon, AS Wittich, P Zanetti, M AF Agostino, L. Bauer, G. Beccati, B. Behrens, U. Berryhil, J. Biery, K. Bose, T. Brett, A. Branson, J. Cano, E. Cheung, H. Ciganek, M. Cittolin, S. Coarasa, J. A. Dahmes, B. Deldicque, C. Dusinberre, E. Erhan, S. Gigi, D. Glege, F. Gomez-Reino, R. Gutleber, J. Hatton, D. Laurens, J. Loizides, C. Ma, F. Meijers, F. Meschi, E. Meyer, A. Mommsen, R. K. Moser, R. O'Dell, V. Oh, A. Orsini, L. Patras, V. Paus, C. Petrucci, A. Pieri, M. Racz, A. Sakulin, H. Sani, M. Schieferdecker, P. Schwick, C. Margaleff, J. F. S. Shpakov, D. Simon, S. Sumorok, K. Yoon, A. S. Wittich, P. Zanetti, M. TI Commissioning of the CMS High Level Trigger SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Online farms and online filtering; Trigger concepts and systems (hardware and software); Data acquisition concepts; Data processing methods AB The CMS experiment will collect data from the proton-proton collisions delivered by the Large Hadron Collider (LHC) at a centre-of-mass energy up to 14 TeV. The CMS trigger system is designed to cope with unprecedented luminosities and LHC bunch-crossing rates up to 40 MHz. The unique CMS trigger architecture only employs two trigger levels. The Level-1 trigger is implemented using custom electronics, while the High Level Trigger (HLT) is based on software algorithms running on a large cluster of commercial processors, the Event Filter Farm. We present the major functionalities of the CMS High Level Trigger system as of the starting of LHC beams operations in September 2008. The validation of the HLT system in the online environment with Monte Carlo simulated data and its commissioning during cosmic rays data taking campaigns are discussed in detail. We conclude with the description of the HLT operations with the first circulating LHC beams before the incident occurred the 19(th) September 2008. C1 [Beccati, B.; Cano, E.; Ciganek, M.; Cittolin, S.; Coarasa, J. A.; Deldicque, C.; Gigi, D.; Glege, F.; Gomez-Reino, R.; Gutleber, J.; Laurens, J.; Meijers, F.; Meschi, E.; Moser, R.; Oh, A.; Orsini, L.; Patras, V.; Racz, A.; Sakulin, H.; Schieferdecker, P.; Schwick, C.; Margaleff, J. F. S.; Zanetti, M.] CERN, Geneva, Switzerland. [Agostino, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA. [Bauer, G.; Loizides, C.; Ma, F.; Paus, C.; Sumorok, K.; Yoon, A. S.] MIT, Cambridge, MA 02139 USA. [Behrens, U.; Hatton, D.; Meyer, A.] DESY, D-2000 Hamburg, Germany. [Berryhil, J.; Biery, K.; Brett, A.; Cheung, H.; Mommsen, R. K.; O'Dell, V.; Shpakov, D.] FNAL, Chicago, IL USA. [Bose, T.] Boston Univ, Boston, MA 02215 USA. [Branson, J.; Dusinberre, E.; Petrucci, A.; Pieri, M.; Sani, M.; Simon, S.] Univ Calif San Diego, San Diego, CA 92103 USA. [Dahmes, B.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Erhan, S.] Univ Calif Los Angeles, Los Angeles, CA USA. [Dahmes, B.] Univ Minnesota, Minneapolis, MN USA. [Moser, R.; Zanetti, M.] Vienna Univ Technol, A-1060 Vienna, Austria. [Oh, A.] Univ Manchester, Manchester, Lancs, England. [Schieferdecker, P.] Univ Karlsruhe, Karlsruhe, Germany. RP Zanetti, M (reprint author), CERN, Geneva, Switzerland. EM marco.zanetti@cern.ch RI Petrucci, Andrea/J-4207-2014 OI Petrucci, Andrea/0000-0003-2524-8355 NR 17 TC 2 Z9 2 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD OCT PY 2009 VL 4 AR P10005 DI 10.1088/1748-0221/4/10/P10005 PG 20 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 540NV UT WOS:000273341100011 ER PT J AU Albrow, MG De Roeck, A Khoze, VA Lamsa, J Norbeck, E Onel, Y Orava, R Penzo, A Ryskin, MG AF Albrow, M. G. De Roeck, A. Khoze, V. A. Laemsae, J. Norbeck, E. Onel, Y. Orava, R. Penzo, A. Ryskin, M. G. TI Forward physics with rapidity gaps at the LHC SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Instrumentation for particle accelerators and storage rings - low energy (linear accelerators, cyclotrons, electrostatic accelerators); Trigger detetectors ID POMERANCHUK POLE; HIGH-ENERGIES; MODEL AB A rapidity gap program with great potential can be realised at the Large Hadron Collider, LHC, by adding a few simple forward shower counters (FSCs) along the beam line on both sides of the main central detectors, such as CMS. Measurements of single diffractive cross sections down to the lowest masses can be made with an efficient level-1 trigger. Exceptionally, the detectors also make feasible the study of Central Diffractive Excitation, and in particular the reaction g + g -> g + g, in the color singlet channel, effectively using the LHC as a gluon-gluon collider. C1 [Albrow, M. G.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [De Roeck, A.] CERN, PH Dept, CH-1211 Geneva, Switzerland. [Khoze, V. A.] Univ Durham, Inst Particle Phys Phenomenolgy, Durham 3H1 3LA, England. [Laemsae, J.] Iowa State Univ, Ames, IA 50011 USA. [Laemsae, J.; Orava, R.] Univ Helsinki, Dept Phys, FIN-0014 Helsinki, Finland. [Laemsae, J.; Orava, R.] Helsinki Inst Phys, FIN-0014 Helsinki, Finland. [Norbeck, E.; Onel, Y.] Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. [Penzo, A.] Ist Nazl Fis Nucl, Dipart Fis, I-34127 Trieste, Italy. [Penzo, A.] Univ Trieste, I-34127 Trieste, Italy. [Ryskin, M. G.] Pertersburg Nucl Phys Inst, RU-188350 Gatchina, Russia. RP Albrow, MG (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM albrow@fnal.gov NR 22 TC 21 Z9 21 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD OCT PY 2009 VL 4 AR P10001 DI 10.1088/1748-0221/4/10/P10001 PG 17 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 540NV UT WOS:000273341100015 ER PT J AU Albrow, MG Appleby, RB Arneodo, M Atoian, G Azhgirey, IL Barlow, R Bayshev, IS Beaumont, W Bonnet, L Brandt, A Bussey, P Buttar, C Butterworth, JM Carter, M Cox, BE Dattola, D Da Via, C de Favereau, J d'Enterria, D De Remigis, P De Roeck, A De Wolf, EA Duarte, P Ellis, JR Florins, B Forshaw, JR Freestone, J Goulianos, K Gronberg, J Grothe, M Gunion, JF Hasi, J Heinemeyer, S Hollar, JJ Houston, S Issakov, V Jones, RM Kelly, M Kenney, C Khoze, VA Kolya, S Konstantinidis, N Kowalski, H Larsen, HE Lemaitre, V Liu, SL Lyapine, A Loebinger, FK Marshall, R Martin, AD Monk, J Nasteva, I Nemegeer, P Obertino, MM Orava, R O'Shea, V Ovyn, S Pal, A Parker, S Pater, J Perrot, AL Pierzchala, T Pilkington, AD Pinfold, J Piotrzkowski, K Plano, W Poblaguev, A Popov, V Potter, KM Roncarolo, F Rostovtsev, A Rouby, X Ruspa, M Ryskin, MG Santoro, A Schul, N Sellers, G Solano, A Spivey, S Stirling, WJ Swoboda, D Tasevsky, M Thompson, R Tsang, T Van Mechelen, P Pereira, AV Watts, SJ Warren, MRM Weiglein, G Wengler, T White, SN Winter, B Yao, Y Zaborov, D Zampieri, A Zeller, M Zhokin, A AF Albrow, M. G. Appleby, R. B. Arneodo, M. Atoian, G. Azhgirey, I. L. Barlow, R. Bayshev, I. S. Beaumont, W. Bonnet, L. Brandt, A. Bussey, P. Buttar, C. Butterworth, J. M. Carter, M. Cox, B. E. Dattola, D. Da Via, C. de Favereau, J. d'Enterria, D. De Remigis, P. De Roeck, A. De Wolf, E. A. Duarte, P. Ellis, J. R. Florins, B. Forshaw, J. R. Freestone, J. Goulianos, K. Gronberg, J. Grothe, M. Gunion, J. F. Hasi, J. Heinemeyer, S. Hollar, J. J. Houston, S. Issakov, V. Jones, R. M. Kelly, M. Kenney, C. Khoze, V. A. Kolya, S. Konstantinidis, N. Kowalski, H. Larsen, H. E. Lemaitre, V. Liu, S. -L. Lyapine, A. Loebinger, F. K. Marshall, R. Martin, A. D. Monk, J. Nasteva, I. Nemegeer, P. Obertino, M. M. Orava, R. O'Shea, V. Ovyn, S. Pal, A. Parker, S. Pater, J. Perrot, A. -L. Pierzchala, T. Pilkington, A. D. Pinfold, J. Piotrzkowski, K. Plano, W. Poblaguev, A. Popov, V. Potter, K. M. Roncarolo, F. Rostovtsev, A. Rouby, X. Ruspa, M. Ryskin, M. G. Santoro, A. Schul, N. Sellers, G. Solano, A. Spivey, S. Stirling, W. J. Swoboda, D. Tasevsky, M. Thompson, R. Tsang, T. Van Mechelen, P. Pereira, A. Vilela Watts, S. J. Warren, M. R. M. Weiglein, G. Wengler, T. White, S. N. Winter, B. Yao, Y. Zaborov, D. Zampieri, A. Zeller, M. Zhokin, A. CA FP420 R&D Collaboration TI The FP420 R&D project: Higgs and New Physics with forward protons at the LHC SO JOURNAL OF INSTRUMENTATION LA English DT Review DE Spectrometers; Particle tracking detectors; Cherenkov detectors; Timing detectors; Mass spectrometers ID LARGE MOMENTUM-TRANSFER; LUMINOSITY MEASUREMENT; HADRON COLLIDERS; SILICON SENSORS; MCP-PMT; DIFFRACTIVE PHOTOPRODUCTION; EXCLUSIVE DIFFRACTION; E(+)E(-) COLLISIONS; EVENT GENERATION; SOFT DIFFRACTION AB We present the FP420 R&D project, which has been studying the key aspects of the development and installation of a silicon tracker and fast-timing detectors in the LHC tunnel at 420 m from the interaction points of the ATLAS and CMS experiments. These detectors would measure precisely very forward protons in conjunction with the corresponding central detectors as a means to study Standard Model (SM) physics, and to search for and characterise new physics signals. This report includes a detailed description of the physics case for the detector and, in particular, for the measurement of Central Exclusive Production, pp -> p + phi + p, in which the outgoing protons remain intact and the central system f may be a single particle such as a SM or MSSM Higgs boson. Other physics topics discussed are gamma gamma and gamma p interactions, and diffractive processes. The report includes a detailed study of the trigger strategy, acceptance, reconstruction efficiencies, and expected yields for a particular pp -> pHp measurement with Higgs boson decay in the b (b) over bar mode. The document also describes the detector acceptance as given by the LHC beam optics between the interaction points and the FP420 location, the machine backgrounds, the new proposed connection cryostat and the moving ("Hamburg") beam-pipe at 420 m, and the radio- frequency impact of the design on the LHC. The last part of the document is devoted to a description of the 3D silicon sensors and associated tracking performances, the design of two fast-timing detectors capable of accurate vertex reconstruction for background rejection at high-luminosities, and the detector alignment and calibration strategy. C1 [Appleby, R. B.; Barlow, R.; Cox, B. E.; Da Via, C.; Forshaw, J. R.; Freestone, J.; Hasi, J.; Jones, R. M.; Kelly, M.; Kolya, S.; Loebinger, F. K.; Marshall, R.; Nasteva, I.; Pater, J.; Pilkington, A. D.; Plano, W.; Potter, K. M.; Roncarolo, F.; Sellers, G.; Thompson, R.; Watts, S. J.; Wengler, T.] Univ Manchester, Manchester M13 9PL, Lancs, England. [Appleby, R. B.; Barlow, R.; Cox, B. E.; Jones, R. M.; Potter, K. M.; Roncarolo, F.; Sellers, G.] Cockroft Inst, Manchester M13 9PL, Lancs, England. [Albrow, M. G.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Arneodo, M.; Obertino, M. M.; Ruspa, M.] Univ Piemonte Orientale, Novara, Italy. [Atoian, G.; Issakov, V.; Poblaguev, A.; Zeller, M.] Yale Univ, New Haven, CT 06520 USA. [Azhgirey, I. L.; Bayshev, I. S.] State Res Ctr Russian Federat, IHEP, Protvino, Russia. [Beaumont, W.; De Roeck, A.; De Wolf, E. A.; Van Mechelen, P.; Zhokin, A.] Univ Antwerp, B-2020 Antwerp, Belgium. [Bonnet, L.; de Favereau, J.; Florins, B.; Lemaitre, V.; Nemegeer, P.; Ovyn, S.; Pierzchala, T.; Piotrzkowski, K.; Rouby, X.; Schul, N.] Catholic Univ Louvain, B-1348 Louvain, Belgium. [Brandt, A.; Duarte, P.; Pal, A.; Spivey, S.] Univ Texas Arlington, Arlington, TX 76019 USA. [Bussey, P.; Buttar, C.; Houston, S.; O'Shea, V.] Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. [Butterworth, J. M.; Konstantinidis, N.; Lyapine, A.; Monk, J.; Warren, M. R. M.] UCL, London WC1E 6BT, England. [Carter, M.; Winter, B.] Mullard Space Sci Lab UCL, Holmbury, England. [Dattola, D.; De Remigis, P.; Larsen, H. E.; Solano, A.; Pereira, A. Vilela; Zampieri, A.] INFN Torino, Turin, Italy. [d'Enterria, D.; De Roeck, A.; Ellis, J. R.] CERN, PH Dept, CH-1211 Geneva 23, Switzerland. [Goulianos, K.] Rockefeller Univ, New York, NY 10021 USA. [Gronberg, J.; Hollar, J. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Grothe, M.] Univ Wisconsin, Madison, WI 53706 USA. [Gunion, J. F.] Univ Calif Davis, Davis, CA 95616 USA. [Heinemeyer, S.] Inst Fis Cantabria, Santander 39005, Spain. [Kenney, C.; Parker, S.] Stanford Univ, Mol Biol Consortium, Stanford, CA 94305 USA. [Khoze, V. A.; Martin, A. D.; Ryskin, M. G.; Stirling, W. J.; Weiglein, G.] Inst Particle Phys Phenomenol, Durham DH1 3LA, England. [Kowalski, H.] DESY, D-22603 Hamburg, Germany. [Larsen, H. E.; Solano, A.; Pereira, A. Vilela] Univ Turin, Turin, Italy. [Liu, S. -L.; Pinfold, J.; Yao, Y.] Univ Alberta, Edmonton, AB T6G 2N5, Canada. [Orava, R.] Helsinki Inst Phys, FIN-00014 Helsinki, Finland. [Perrot, A. -L.; Swoboda, D.] CERN, TS LEA, CH-1211 Geneva 23, Switzerland. [Popov, V.; Rostovtsev, A.; Zaborov, D.; Zhokin, A.] ITEP, RU-117259 Moscow, Russia. [Tsang, T.; White, S. N.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Santoro, A.] Univ Estado Rio de Janeiro, BR-21945970 Rio De Janeiro, Brazil. [Tasevsky, M.] Inst Phys, CZ-18221 Prague, Czech Republic. RP Cox, BE (reprint author), Univ Manchester, Manchester M13 9PL, Lancs, England. EM Brian.Cox@manchester.ac.uk; Albert.de.Roeck@cern.ch RI Buttar, Craig/D-3706-2011; O'Shea, Val/G-1279-2010; Santoro, Alberto/E-7932-2014; Nasteva, Irina/M-8764-2014; Vilela Pereira, Antonio/L-4142-2016; OI O'Shea, Val/0000-0001-7183-1205; Nasteva, Irina/0000-0001-7115-7214; Vilela Pereira, Antonio/0000-0003-3177-4626; Jones, Roger/0000-0001-6528-214X; Barlow, Roger/0000-0002-8295-8612 FU STFC; Royal Society; Department of Energy (including Fermilab and Brookhaven National Lab funding, UT-Arlington base funding and the Advanced Detector Research program); Texas Advanced Research Program; FNRS; IISN; FWO-Vlaanderen; IIKW; Belgian Federal Science Policy; Italian Istituto Nazionale di Fisica Nucleare (INFN); Italian Ministry for Education, University and Scientific Research under the programme "Incentivazione alla mobilita di studiosi stranieri e italiani residenti all'estero" FX We thank many people in the accelerator (AB and AT) and technical (TS) Departments of CERN for their valuable help and continuing support in the FP420 design study (beam vacuum, electrical specifications, RF effects ... ). In particular, we want to thank Thierry Renaglia, Sebastien Marques, Thierry Colombet, Alain Poncet and Vittorio Parma for their expertise and generous help with the cryostat studies. This work was supported in the UK by grants from the STFC and the Royal Society; in the USA by the Department of Energy (including Fermilab and Brookhaven National Lab funding, UT-Arlington base funding and the Advanced Detector Research program), and the Texas Advanced Research Program; in Belgium by FNRS and its associated fund (IISN), by FWO-Vlaanderen, IIKW, and by the Inter-University Attraction Poles Programme subsidised by the Belgian Federal Science Policy; in Italy by the Italian Istituto Nazionale di Fisica Nucleare (INFN) and by the Italian Ministry for Education, University and Scientific Research under the programme "Incentivazione alla mobilita di studiosi stranieri e italiani residenti all'estero". NR 183 TC 85 Z9 85 U1 0 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD OCT PY 2009 VL 4 AR T10001 DI 10.1088/1748-0221/4/10/T10001 PG 168 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 540NV UT WOS:000273341100016 ER PT J AU Bilki, B Butler, J Mavromanolakis, G May, E Norbeck, E Repond, J Underwood, D Xia, L Zhang, Q AF Bilki, B. Butler, J. Mavromanolakis, G. May, E. Norbeck, E. Repond, J. Underwood, D. Xia, L. Zhang, Q. TI Hadron showers in a digital hadron calorimeter SO JOURNAL OF INSTRUMENTATION LA English DT Article DE Resistive-plate chambers; Calorimeters; Micropattern gaseous detectors (MSGC, GEM, THGEM, RETHGEM, MICROMEGAS, InGrid, etc) ID TESTS AB A small prototype of a finely granulated digital hadron calorimeter with Resistive Plate Chambers as active elements was exposed to positive pions of 1-16 GeV energy from the Fermilab test beam. The event selection separates events with mostly non-interacting particles and events with hadronic showers which initiated in the front part of the calorimeter. The data are compared to a Monte Carlo simulation of the set-up. The paper concludes with predictions for the performance of an extended digital hadron calorimeter. C1 [May, E.; Repond, J.; Underwood, D.; Xia, L.; Zhang, Q.] Argonne Natl Lab, Argonne, IL 60439 USA. [Butler, J.] Boston Univ, Boston, MA 02215 USA. [Mavromanolakis, G.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Bilki, B.; Norbeck, E.] Univ Iowa, Iowa City, IA 52242 USA. [Mavromanolakis, G.] Univ Cambridge, Cavendish Lab, Cambridge CB3 OHE, England. [Zhang, Q.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Zhang, Q.] Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China. RP Repond, J (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM repond@hep.anl.gov OI Bilki, Burak/0000-0001-9515-3306 NR 13 TC 16 Z9 16 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD OCT PY 2009 VL 4 AR P10008 DI 10.1088/1748-0221/4/10/P10008 PG 15 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 540NV UT WOS:000273341100008 ER PT J AU Mourant, JR Bocklage, TJ Powers, TM Greene, HM Dorin, MH Waxman, AG Zsemlye, MM Smith, HO AF Mourant, Judith R. Bocklage, Therese J. Powers, Tamara M. Greene, Heather M. Dorin, Maxine H. Waxman, Alan G. Zsemlye, Meggan M. Smith, Harriet O. TI Detection of Cervical Intraepithelial Neoplasias and Cancers in Cervical Tissue by In Vivo Light Scattering SO JOURNAL OF LOWER GENITAL TRACT DISEASE LA English DT Article DE cervical intraepithelial neoplasia; spectroscopy; light scattering; colposcopy ID OPTICAL-DETECTION SYSTEM; PRECANCER DETECTION; FLUORESCENCE; SPECTROSCOPY; COLPOSCOPY; CELLS; CYTOLOGY; SPECTRA; BIOPSY; TREAT AB Objective. This study aimed to examine the utility of in vivo elastic light scattering measurements, to identify cervical intraepithelial neoplasias 2,3 and cancers in women undergoing colposcopy, and to determine the effects of patient characteristics such as menstrual status on the elastic light scattering spectroscopic measurements. Materials and Methods. A fiber optic probe was used to measure light transport in the cervical epithelium of patients undergoing colposcopy. Spectroscopic results from 151 patients were compared with histopathology of the measured and biopsied sites. A method of classifying the measured sites into 2 clinically relevant categories was developed and tested using 5-fold cross-validation. Results. Statistically significant effects by age at diagnosis, menopausal status, timing of the menstrual cy and oral contraceptive use were identified, and adjustments based on these measurements were incorporated in the classification algorithm. A sensitivity of 77% +/- 5% and a specificity of 62% +/- 2% were obtained for separating cervical intraepithelial neoplasia 2,3 and cancer from other pathologies and normal tissue. Conclusions. The effects of both menstrual status and age should be taken into account in the algorithm for classifying tissue sites based on elastic light scattering spectroscopy. When this is done, elastic light scattering spectroscopy shows good potential for real-time diagnosis of cervical tissue at colposcopy. Guiding biopsy location is one potential near-term clinical application area, whereas facilitating "see and treat" protocols is a longer term goal. Improvements in accuracy are essential. C1 [Mourant, Judith R.; Powers, Tamara M.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87544 USA. [Bocklage, Therese J.] Univ New Mexico, Dept Pathol, Hlth Sci Ctr, Camino De Salud, NM USA. [Greene, Heather M.] Univ New Mexico, Div Gynecol Oncol, Hlth Sci Ctr, Dept Obstet & Gynecol, Albuquerque, NM 87131 USA. [Dorin, Maxine H.; Waxman, Alan G.; Zsemlye, Meggan M.] Univ New Mexico, Gen Gynecol Div, Hlth Sci Ctr, Dept Obstet & Gynecol, Albuquerque, NM 87131 USA. [Smith, Harriet O.] Albert Einstein Coll Med, Dept Obstet & Gynecol & Womens Hlth, Div Gynecol Oncol, Bronx, NY 10467 USA. [Smith, Harriet O.] Montefiore Med Ctr, Bronx, NY 10467 USA. RP Mourant, JR (reprint author), Los Alamos Natl Lab, Biosci Div, MS E535, Los Alamos, NM 87544 USA. EM jmourant@lanl.gov FU National Institutes of Health [CA71898] FX Funding: This work was funded by National Institutes of Health grant CA71898. NR 39 TC 9 Z9 9 U1 1 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1089-2591 J9 J LOW GENIT TRACT DI JI J. Low. Genit. Tract. Dis. PD OCT PY 2009 VL 13 IS 4 BP 216 EP 223 PG 8 WC Obstetrics & Gynecology SC Obstetrics & Gynecology GA 507DO UT WOS:000270831600006 PM 20694193 ER PT J AU Kelso, N Lee, SK Bouchard, LS Demas, V Muck, M Pines, A Clarke, J AF Kelso, Nathan Lee, Seung-Kyun Bouchard, Louis-S. Demas, Vasiliki Mueck, Michael Pines, Alexander Clarke, John TI Distortion-free magnetic resonance imaging in the zero-field limit SO JOURNAL OF MAGNETIC RESONANCE LA English DT Article DE Low-field MRI; Concomitant gradients; Image distortion; Mobile NMR; SQUID-detected NMR; Coherent averaging ID ATOMIC MAGNETOMETER; NUCLEAR SPINS; MRI; GRADIENTS AB MRI is a powerful technique for clinical diagnosis and materials characterization. Images are acquired in a homogeneous static magnetic field much higher than the fields generated across the field of view by the spatially encoding field gradients. Without such a high field, the concomitant components of the field gradient dictated by Maxwell's equations lead to severe distortions that make imaging impossible with conventional MRI encoding. In this paper, we present a distortion-free image of a phantom acquired with a fundamentally different methodology in which the applied static field approaches zero. Our technique involves encoding with pulses of uniform and gradient field, and acquiring the magnetic field signals with a SQUID. The method can be extended to weak ambient fields, potentially enabling imaging in the Earth's field without cancellation coils or shielding. Other potential applications include quantum information processing and fundamental studies of long-range ferromagnetic interactions. (C) 2009 Elsevier Inc. All rights reserved. C1 [Kelso, Nathan; Lee, Seung-Kyun; Clarke, John] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bouchard, Louis-S.; Demas, Vasiliki; Pines, Alexander] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Kelso, Nathan; Lee, Seung-Kyun; Bouchard, Louis-S.; Demas, Vasiliki; Pines, Alexander; Clarke, John] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Mueck, Michael] Univ Giessen, Inst Angew Phys, D-35392 Giessen, Germany. RP Clarke, J (reprint author), Univ Calif Berkeley, Dept Phys, 366 LeConte Hall 7300, Berkeley, CA 94720 USA. EM jclarke@berkeley.edu RI Lee, Seung-Kyun/A-3464-2008 OI Lee, Seung-Kyun/0000-0001-7625-3141 FU Office of Science, Office of Basic Energy Sciences, Materials Science and Engineering Division, of the U. S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Science and Engineering Division, of the U. S. Department of Energy under Contract No. DE-AC02-05CH11231. The authors thank S. Conolly, J. Reimer and D. Wemmer for thoughtful comments on the manuscript, and S. Busch, M. Hatridge and M. Moessle for helpful discussions. NR 29 TC 14 Z9 14 U1 3 U2 11 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1090-7807 J9 J MAGN RESON JI J. Magn. Reson. PD OCT PY 2009 VL 200 IS 2 BP 285 EP 290 DI 10.1016/j.jmr.2009.07.016 PG 6 WC Biochemical Research Methods; Physics, Atomic, Molecular & Chemical; Spectroscopy SC Biochemistry & Molecular Biology; Physics; Spectroscopy GA 526AW UT WOS:000272260900015 PM 19664947 ER PT J AU Maksymovych, P Balke, N Jesse, S Huijben, M Ramesh, R Baddorf, AP Kalinin, SV AF Maksymovych, Peter Balke, Nina Jesse, Stephen Huijben, Mark Ramesh, Ramamoorthy Baddorf, Arthur P. Kalinin, Sergei V. TI Defect-induced asymmetry of local hysteresis loops on BiFeO3 surfaces SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID FERROELECTRIC THIN-FILMS; MULTIFERROICS AB Local piezoresponse hysteresis loops were systematically studied on the surface of ferroelectric thin films of BiFeO3 grown on SrRuO3 and La0.7Sr0.3MnO3 electrodes and compared between ultrahigh vacuum and ambient environment. The loops on all the samples exhibited characteristic asymmetry manifested in the difference of the piezoresponse slope following local domain nucleation. Spatially resolved mapping has revealed that the asymmetry is strongly correlated with the random-field disorder inherent in the films and is not affected by the random-bond disorder component. The asymmetry thus originates from electrostatic disorder within the film, which allows using it as a unique signature of single defects or defect clusters. The electrostatic effects due to the measurement environment also contribute to the total asymmetry of the piezoresponse loop, albeit with a much smaller magnitude compared to local defects. C1 [Maksymovych, Peter; Balke, Nina; Jesse, Stephen; Baddorf, Arthur P.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Huijben, Mark; Ramesh, Ramamoorthy] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Huijben, Mark; Ramesh, Ramamoorthy] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Huijben, Mark] Univ Twente, Fac Sci & Technol, MESA Inst Nanotechnol, NL-7500 AE Enschede, Netherlands. RP Maksymovych, P (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM maksymovychp@ornl.gov RI Kalinin, Sergei/I-9096-2012; Balke, Nina/Q-2505-2015; Maksymovych, Petro/C-3922-2016; Jesse, Stephen/D-3975-2016; Baddorf, Arthur/I-1308-2016 OI Kalinin, Sergei/0000-0001-5354-6152; Balke, Nina/0000-0001-5865-5892; Maksymovych, Petro/0000-0003-0822-8459; Jesse, Stephen/0000-0002-1168-8483; Baddorf, Arthur/0000-0001-7023-2382 NR 28 TC 17 Z9 17 U1 3 U2 31 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 EI 1573-4803 J9 J MATER SCI JI J. Mater. Sci. PD OCT PY 2009 VL 44 IS 19 SI SI BP 5095 EP 5101 DI 10.1007/s10853-009-3697-z PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 485JK UT WOS:000269117000006 ER PT J AU Kumar, A Katiyar, RS Premnath, RN Rinaldi, C Scott, JF AF Kumar, Ashok Katiyar, R. S. Premnath, Ramesh Nath Rinaldi, Carlos Scott, J. F. TI Strain-induced artificial multiferroicity in Pb(Zr0.53Ti0.47)O-3/Pb(Fe0.66W0.33)O-3 layered nanostructure at ambient temperature SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID THIN-FILMS; FERROELECTRIC PROPERTIES; HETEROSTRUCTURES AB Layered nanostructures (LNs) of the commercial ferroelectric Pb(Zr0.53Ti0.47)O-3 (PZT) and the natural ferroic relaxor Pb(Fe0.66W0.33)O-3 (PFW) were fabricated with a periodicity of PZT/PFW/PZT (similar to 5/1/5 nm, thickness similar to 250 nm) on MgO substrates by pulsed laser deposition. The dielectric behavior of these LNs were investigated over a wide range of temperatures and frequencies, observing Debye-type relaxation with marked deviation at elevated temperatures (> 400 K). High dielectric constant and very low dielectric loss were observed below 100 kHz and 400 K, whereas the dielectric constant decreases and loss increases with increase in frequency, similar to relaxor ferroelectrics. Asymmetric ferroelectric hysteresis loops across UP and DOWN electric field were observed with high remanent polarization (P-r) of about 33 mu C/cm(2). High imprint (similar to 5-7 V across 250 nm thin films) were seen in ferroelectric hysteresis that may be due to charge accumulation at the interface of layers or significant amount of strain (similar to 3.21) across the layers. Room temperature ferromagnetic hysteresis was observed with remanent magnetization 5.32 emu/cc and a coercive field of similar to 550 Oe. Temperature and field dependent leakage current densities showed very low leakage similar to 10(-7)-10(-5) A/cm(2) over 500 kV/cm. We observed imprint in hysteresis that may be due to charge accumulation at the interface of layers or active role of polar nano regions (PNRs) situated in the PFW regions. C1 [Kumar, Ashok; Katiyar, R. S.] Univ Puerto Rico, Dept Phys, San Juan, PR 00931 USA. [Kumar, Ashok; Katiyar, R. S.] Univ Puerto Rico, Inst Funct Nanomat, San Juan, PR 00931 USA. [Premnath, Ramesh Nath] Argonne Natl Lab, Argonne, IL 60439 USA. [Rinaldi, Carlos] Univ Puerto Rico, Dept Chem Engn, Mayaguez, PR 00681 USA. [Rinaldi, Carlos] Univ Puerto Rico, Inst Funct Nanomat, Mayaguez, PR 00681 USA. [Scott, J. F.] Univ Cambridge, Dept Earth Sci, Cambridge CB2 3EQ, England. RP Katiyar, RS (reprint author), Univ Puerto Rico, Dept Phys, San Juan, PR 00931 USA. EM rkatiyar@uprrp.edu; jsco99@esc.cam.ac.uk RI Kumar, Ashok/A-7742-2012; Rinaldi, Carlos/C-9409-2011 OI Rinaldi, Carlos/0000-0001-8886-5612 FU DOD [W911NF-05-1-0340, W911NF-06-1-0030, W911NF-06-1-0183] FX This work was partially supported by DOD W911NF-05-1-0340, W911NF-06-1-0030 and W911NF-06-1-0183 grants. NR 30 TC 13 Z9 13 U1 2 U2 17 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 J9 J MATER SCI JI J. Mater. Sci. PD OCT PY 2009 VL 44 IS 19 SI SI BP 5113 EP 5119 DI 10.1007/s10853-009-3503-y PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 485JK UT WOS:000269117000008 ER PT J AU Arredondo, M Saunders, M Petraru, A Kohlstedt, H Vrejoiu, I Alexe, M Hesse, D Browning, ND Munroe, P Nagarajan, V AF Arredondo, M. Saunders, M. Petraru, A. Kohlstedt, H. Vrejoiu, I. Alexe, M. Hesse, D. Browning, N. D. Munroe, P. Nagarajan, V. TI Structural defects and local chemistry across ferroelectric-electrode interfaces in epitaxial heterostructures SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID THIN-FILMS; POLYDOMAIN HETEROSTRUCTURES; PT/SRRUO3 ELECTRODES; PBZR0.2TI0.8O3 FILMS; MISFIT DISLOCATIONS; PZT CAPACITORS; POLARIZATION; DIFFUSION; THERMODYNAMICS; DEPOSITION AB We present a detailed investigation of the chemistry at the growth interface between the bottom electrode and ferroelectric film in (001)-oriented epitaxial ferroelectric thin-film heterostructures. Three different ferroelectric systems, namely PbZr0.2Ti0.8O3, PbZr0.52Ti0.48O3, and BaTiO3 deposited on SrRuO3/SrTiO3, were investigated to compare and contrast the role of lattice mismatch versus the volatility of the deposited cation species. A combination of transmission electron microscopy-based imaging and spectroscopy reveals distinct correlations among the ferroelectric thin-film composition, the deposition process, and chemical gradients observed across the ferroelectric-electrode interface. Sr diffusion from the electrode into the ferroelectric film was found to be dominant in PbZr0.2Ti0.8O3/SrRuO3/SrTiO3 thin films. Conversely, Pb diffusion was found to be prevalent in PbZr0.52Ti0.48O3/SrRuO3/SrTiO3 thin films. The BaTiO3/SrRuO3/SrTiO3 heterostructure was found to have atomically sharp interfaces with no signature of any interdiffusion. We show that controlling the volatility of the cation species is as crucial as lattice mismatch in the fabrication of defect-free ferroelectric thin-film devices. C1 [Arredondo, M.; Munroe, P.; Nagarajan, V.] Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia. [Saunders, M.] Univ Western Australia, Ctr Microscopy Characterisat & Anal, Crawley, WA 6009, Australia. [Petraru, A.; Kohlstedt, H.] Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany. [Petraru, A.; Kohlstedt, H.] Forschungszentrum Julich, CNI, D-52425 Julich, Germany. [Browning, N. D.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Browning, N. D.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Vrejoiu, I.; Alexe, M.; Hesse, D.] Max Planck Inst Microstruct Phys, D-06120 Halle, Germany. RP Nagarajan, V (reprint author), Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia. EM nagarajan@unsw.edu.au RI valanoor, nagarajan/B-4159-2012; Saunders, Martin/B-3082-2011; Munroe, Paul/I-9313-2016; Alexe, Marin/K-3882-2016; OI Saunders, Martin/0000-0001-6873-7816; Munroe, Paul/0000-0002-5091-2513; Alexe, Marin/0000-0002-0386-3026; Browning, Nigel/0000-0003-0491-251X FU CONACYT (Mexico); ARC [DP 0666231]; US Department of Energy [DE-FG02-03ER46057]; German Science Foundation (DFG) [SFB 762]; DEST International Linkage FX The authors would like to thank CONACYT (Mexico), ARC DP 0666231, the US Department of Energy through grant number DE-FG02-03ER46057, the German Science Foundation (DFG) via SFB 762 and DEST International Linkage Grant for their support on this project. We also acknowledge the facilities, scientific and technical assistance of the Australian Microscopy & Microanalysis Research Facility at the Centre for Microscopy, Characterization & Analysis, The University of Western Australia, a facility funded by The University, State and Commonwealth Governments. NR 38 TC 11 Z9 11 U1 1 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 J9 J MATER SCI JI J. Mater. Sci. PD OCT PY 2009 VL 44 IS 19 SI SI BP 5297 EP 5306 DI 10.1007/s10853-009-3548-y PG 10 WC Materials Science, Multidisciplinary SC Materials Science GA 485JK UT WOS:000269117000027 ER PT J AU Lei, CH Wen, JG Sardela, M Bareno, J Petrov, I Kang, SH Abraham, DP AF Lei, C. H. Wen, J. G. Sardela, M. Bareno, J. Petrov, I. Kang, S. -H. Abraham, D. P. TI Structural study of Li2MnO3 by electron microscopy SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID LITHIUM-ION BATTERIES; CATHODE MATERIALS; LOCAL-STRUCTURE; INSERTION MATERIAL; MANGANESE OXIDES; ELECTROCHEMISTRY; BEHAVIOR; LIMNO2; MN; DIFFRACTION AB Detailed crystallographic data on high-quality Li2MnO3 material has been obtained using a combination of X-ray diffraction (XRD), selected-area electron diffraction (SAED), high-resolution electron microscopy (HREM), and 0.1 nm probe high-angle annular dark-field imaging (HAADF) in a scanning transmission electron microscope. A high-purity Li2MnO3 powder was annealed at 950 A degrees C for 3 days to obtain predominantly defect-free grains which average size was 3.0 +/- A 1.5 mu m. Rietveld refinement indicated that the C2/m spacegroup provided the best fit for the XRD data. Electron diffraction patterns obtained along various zone axes, on defect-free oxide particles, could be uniquely indexed to the monoclinic structure. HREM and HAADF images of defect-free grains were consistent with a Li-Mn-Mn- arrangement, i.e., lithium ordering in the transition metal planes. Low-magnification TEM images occasionally revealed stacking defects within oxide particles. HREM images of sample areas containing defects revealed a low density of stacking faults within the monoclinic sequence, resulting in a trigonal P3 (1) 12 local arrangement. C1 [Kang, S. -H.; Abraham, D. P.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Lei, C. H.; Wen, J. G.; Sardela, M.; Bareno, J.; Petrov, I.] Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. RP Abraham, DP (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM abraham@anl.gov RI Kang, Sun-Ho/E-7570-2010; Petrov, Ivan/D-4910-2011; OI Petrov, Ivan/0000-0002-2955-4897; Bareno, Javier/0000-0003-1230-9278 FU U. S. Department of Energy (DOE); U. S. Department of Energy (DOE), Office of Vehicle Technologies; Center for Microanalysis of Materials (CMM; Frederick Sietz Materials Research Laboratory; University of Illinois at Urbana-Champaign (UIUC); U. S. Department of Energy [DEFG02-91ER45439]; Argonne National Laboratory; U. S. Department of Energy Office of Science laboratory; UChicago Argonne LLC [DE-AC02-06CH11357] FX We acknowledge D. Howell at the U. S. Department of Energy (DOE), Office of Vehicle Technologies, for supporting this research. We acknowledge the use of the Center for Microanalysis of Materials (CMM) at the Frederick Sietz Materials Research Laboratory, University of Illinois at Urbana-Champaign (UIUC), which is partially supported by the U. S. Department of Energy under grant DEFG02-91ER45439. Argonne National Laboratory is a U. S. Department of Energy Office of Science laboratory operated by UChicago Argonne LLC under contract DE-AC02-06CH11357. NR 34 TC 42 Z9 43 U1 4 U2 75 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 J9 J MATER SCI JI J. Mater. Sci. PD OCT PY 2009 VL 44 IS 20 BP 5579 EP 5587 DI 10.1007/s10853-009-3784-1 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA 488AI UT WOS:000269320500018 ER PT J AU Ardavan, H Ardavan, A Singleton, J Fasel, J Schmidt, A AF Ardavan, Houshang Ardavan, Arzhang Singleton, John Fasel, Joseph Schmidt, Andrea TI Inadequacies in the conventional treatment of the radiation field of moving sources SO JOURNAL OF MATHEMATICAL PHYSICS LA English DT Article DE electromagnetic fields; Maxwell equations; wave equations ID ROTATING DISTRIBUTION PATTERNS; NONSPHERICALLY DECAYING PULSES; ELECTROMAGNETIC-RADIATION; POLARIZATION CURRENTS; SUPERLUMINAL SOURCE; MOVE FASTER; GENERATION; MORPHOLOGY; DIVERGENCES; SPECTRUM AB There is a fundamental difference between the classical expression for the retarded electromagnetic potential and the corresponding retarded solution of the wave equation that governs the electromagnetic field. While the boundary contribution to the retarded solution for the potential can always be rendered equal to zero by means of a gauge transformation that preserves the Lorenz condition, the boundary contribution to the retarded solution of the wave equation governing the field may be neglected only if it diminishes with distance faster than the contribution of the source density in the far zone. In the case of a source whose distribution pattern both rotates and travels faster than light in vacuo, as realized in recent experiments, the boundary term in the retarded solution governing the field is by a factor of the order of R(1/2) larger than the source term of this solution in the limit that the distance R of the boundary from the source tends to infinity. This result is consistent with the prediction of the retarded potential that part of the radiation field generated by a rotating superluminal source decays as R(-1/2), instead of R(-1), a prediction that is confirmed experimentally. More importantly, it pinpoints the reason why an argument based on a solution of the wave equation governing the field in which the boundary term is neglected (such as appears in the published literature) misses the nonspherical decay of the field. C1 [Ardavan, Houshang] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Ardavan, Arzhang] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [Singleton, John] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. RP Ardavan, H (reprint author), Univ Cambridge, Inst Astron, Madingley Rd, Cambridge CB3 0HA, England. EM j.singleton1@physics.ox.ac.uk OI Schmidt, Andrea/0000-0002-5017-1030 FU Royal Society; U.S. Department of Energy [LDRD 20080085DR] FX A. A. is supported by the Royal Society. J.S., J.F., and A. S. are supported by U.S. Department of Energy Grant No. LDRD 20080085DR, "Construction and use of superluminal emission technology demonstrators with applications in radar, astrophysics and secure communications." NR 34 TC 0 Z9 0 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0022-2488 J9 J MATH PHYS JI J. Math. Phys. PD OCT PY 2009 VL 50 IS 10 AR 103510 DI 10.1063/1.3215978 PG 12 WC Physics, Mathematical SC Physics GA 513XO UT WOS:000271357600044 ER PT J AU Elci, A Hjalmarson, HP AF Elci, A. Hjalmarson, H. P. TI The tunneling solutions of the time-dependent Schroumldinger equation for a square-potential barrier SO JOURNAL OF MATHEMATICAL PHYSICS LA English DT Article DE eigenvalues and eigenfunctions; Lie groups; partial differential equations; probability; Schrodinger equation; tunnelling; wave functions ID WAVE-PACKETS; TRANSIENT AB The exact tunneling solutions of the time-dependent Schroumldinger equation with a square-potential barrier are derived using the continuous symmetry group G(S) for the partial differential equation. The infinitesimal generators and the elements for G(S) are represented and derived in the jet space. There exist six classes of wave functions. The representative (canonical) wave functions for the classes are labeled by the eigenvalue sets, whose elements arise partially from the reducibility of a Lie subgroup G(LS) of G(S) and partially from the separation of variables. Each eigenvalue set provides two or more time scales for the wave function. The ratio of two time scales can act as the duration of an intrinsic clock for the particle motion. The exact solutions of the time-dependent Schroumldinger equation presented here can produce tunneling currents that are orders of magnitude larger than those produced by the energy eigenfunctions. The exact solutions show that tunneling current can be quantized under appropriate boundary conditions and tunneling probability can be affected by a transverse acceleration. C1 [Elci, A.] ESC, Albuquerque, NM 87106 USA. [Hjalmarson, H. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Elci, A (reprint author), ESC, 3432 Calle Monte NE, Albuquerque, NM 87106 USA. EM aelci@aol.com; hphjalm@sandia.gov NR 22 TC 2 Z9 2 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0022-2488 J9 J MATH PHYS JI J. Math. Phys. PD OCT PY 2009 VL 50 IS 10 AR 102101 DI 10.1063/1.3215940 PG 31 WC Physics, Mathematical SC Physics GA 513XO UT WOS:000271357600001 ER PT J AU George, SA Naulleau, PP Rekawa, S Gullikson, E Kemp, CD AF George, Simi A. Naulleau, Patrick P. Rekawa, Senajith Gullikson, Eric Kemp, Charles Drew TI Estimating the out-of-band radiation flare levels for extreme ultraviolet lithography SO JOURNAL OF MICRO-NANOLITHOGRAPHY MEMS AND MOEMS LA English DT Article DE extreme ultraviolet lithography; microfield exposure tool; extreme ultraviolet; out of band; resists; flare; resist sensitivity AB For the commercialization of extreme ultraviolet lithography (EUVL), discharge or laser-produced, pulsed plasma light sources are being considered. These sources are known to emit into a broad range of wavelengths that are collectively referred to as out-of-band (OOB) radiation by lithographers. Multilayer EUV optics reflect OOB radiation emitted by the EUV sources onto the wafer plane, resulting in unwanted background exposure of the resist (flare) and reduced image contrast. The reflectivity of multilayer optics at the target wavelength of 13.5 nm is comparable to that of their reflectivity in the deep ultraviolet (DUV) and UV regions from 100 to 350 nm. The aromatic molecular backbones of many of the resists used for EUV are equally absorptive at specific DUV wavelengths as well. To study the effect of these wavelengths on imaging performance in a real system, we are in the process of integrating a DUV source into the Sematech Berkeley 0.3-NA microfield exposure tool (MET). We present the simulation-based imaging results predicting the potential impact of OOB based on known resist, mask, and multilayer conditions. It should be noted that because the projection optics work equally well as imaging optics at DUV wavelengths, OOB radiation cannot be treated simply as uniform background or DC flare. (C) 2009 Society of Photo-Optical Instrumentation Engineers. [DOI: 10.1117/1.3238514] C1 [George, Simi A.; Naulleau, Patrick P.; Rekawa, Senajith; Gullikson, Eric; Kemp, Charles Drew] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP George, SA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM sageorge@lbl.gov FU Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy [DE-AC0205CH11231] FX The authors would like to acknowledge the support and dedication of the CXRO engineering team and staff. Useful discussions with Andrew Aquila on the MLM properties and behavior are greatly appreciated. Special thanks to the MET team members Paul Denham, Brian Hoef, and Gideon Jones. We would like to acknowledge the Energetiq team, especially Debbie Gustafson and Robert Angeli, for providing support and source spectral characterizations for this work. This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U. S. Department of Energy under contract number DE-AC0205CH11231. NR 22 TC 13 Z9 13 U1 0 U2 4 PU SPIE-SOC PHOTOPTICAL INSTRUMENTATION ENGINEERS PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 1537-1646 J9 J MICRO-NANOLITH MEM JI J. Micro-Nanolithogr. MEMS MOEMS PD OCT-DEC PY 2009 VL 8 IS 4 AR 041502 DI 10.1117/1.3238514 PG 8 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics SC Engineering; Science & Technology - Other Topics; Materials Science; Optics GA 552DE UT WOS:000274266800003 ER PT J AU Serrano, JR Phinney, LM AF Serrano, Justin R. Phinney, Leslie M. TI Effects of layers and vias on continuous-wave laser heating and damage of surface-micromachined structures SO JOURNAL OF MICRO-NANOLITHOGRAPHY MEMS AND MOEMS LA English DT Article DE MEMS; laser heating; polycrystalline silicon; optical interference ID MEMS THERMAL ACTUATORS; SILICON AB The response of microsystem components to laser irradiation is relevant to processes and applications such as laser processing, optical diagnostics, and optical microelectromechanical systems (MEMS) device design and performance. The dimensions of MEMS, which are on the order of several micrometers, are on the same order as infrared laser wavelengths, which results in interference phenomena when the parts are partially transparent. Four polycrystalline silicon structures were designed and irradiated with 532 and 808 nm continuous wave laser light to determine the effects of layers, air gaps, and the presence of a substrate via on the threshold laser power for damage. The presence of a substrate via resulted in lower damage thresholds, and a single-layer structure had the highest damage threshold for structures irradiated with infrared light. Structures irradiated with visible wavelength light exhibited less sensitivity to the underlying via. Optical interference calculations are carried out to evaluate the absorptance of these structures as a feasible explanation for the observed results. (C) 2009 Society of Photo-Optical Instrumentation Engineers. [DOI: 10.1117/1.3249657] C1 [Serrano, Justin R.; Phinney, Leslie M.] Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA. RP Serrano, JR (reprint author), Sandia Natl Labs, Engn Sci Ctr, POB 5800, Albuquerque, NM 87185 USA. EM jrserra@sandia.gov FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. The authors also thank Rosemarie Renn and Katie Francis for their assistance with the design of the MEMS structures and Allen Gorby and Carlton Brooks for help with the experimental setups. NR 24 TC 1 Z9 1 U1 1 U2 4 PU SPIE-SOC PHOTOPTICAL INSTRUMENTATION ENGINEERS PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 1537-1646 J9 J MICRO-NANOLITH MEM JI J. Micro-Nanolithogr. MEMS MOEMS PD OCT-DEC PY 2009 VL 8 IS 4 AR 043030 DI 10.1117/1.3249657 PG 7 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics SC Engineering; Science & Technology - Other Topics; Materials Science; Optics GA 552DE UT WOS:000274266800024 ER PT J AU Panchawagh, HV Sounart, TL Mahajan, RL AF Panchawagh, Hrishikesh V. Sounart, Thomas L. Mahajan, Roop L. TI A Model for Electrostatic Actuation in Conducting Liquids SO JOURNAL OF MICROELECTROMECHANICAL SYSTEMS LA English DT Article DE Electrode polarization; electrolysis; microelectromechanical systems (MEMS); microfluidics; passivation ID MEMS; MICROFLUIDICS; BIOLOGY; BIOMEMS; DESIGN AB This paper presents a generalized model that describes the behavior of micromachined electrostatic actuators in conducting liquids and provides a guideline for designing electrostatic actuators to operate in aqueous electrolytes such as biological media. The model predicts static actuator displacement as a function of device parameters and applied frequency and potential for the typical case of negligible double-layer impedance and dynamic response. Model results are compared to the experimentally measured displacement of electrostatic comb-drive and parallel-plate actuators and exhibit good qualitative agreement with experimental observations. The model is applied to show that the pull-in instability of a parallel-plate actuator is frequency dependent near the critical frequency for actuation and can be eliminated for any actuator design by tuning the applied frequency. In addition, the model is applied to establish a frequency-dependent theoretical upper bound on the voltage that can be applied across passivated electrodes without electrolysis. [2008-0307] C1 [Panchawagh, Hrishikesh V.] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. [Sounart, Thomas L.] Sandia Natl Labs, Albuquerque, NM 87114 USA. [Mahajan, Roop L.] Virginia Polytech Inst & State Univ, Dept Mech Engn, Inst Crit Technol & Appl Sci, Blacksburg, VA 24060 USA. [Mahajan, Roop L.] Virginia Polytech Inst & State Univ, Dept Engn Sci & Mech, Blacksburg, VA 24060 USA. RP Panchawagh, HV (reprint author), Eastman Kodak Co, Rochester, NY 14650 USA. EM hrishikesh.panchawagh@kodak.com; thomas.l.sounart@intel.com FU Sandia National Laboratories (SNL); Laboratory-Directed Research and Development Program (LDRD); Sandia Corporation; Lockheed Martin Company; Department of Energy [DE-AC04-94AL85000]; Division of Materials Sciences and Engineering; Office of Basic Energy Sciences; U. S. Department of Energy FX This work was supported in part by the Sandia National Laboratories (SNL) Laboratory-Directed Research and Development Program (LDRD). SNL is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the Department of Energy under Contract DE-AC04-94AL85000 and in part by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U. S. Department of Energy. Subject Editor L. Lin. NR 45 TC 6 Z9 6 U1 0 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1057-7157 J9 J MICROELECTROMECH S JI J. Microelectromech. Syst. PD OCT PY 2009 VL 18 IS 5 BP 1105 EP 1117 DI 10.1109/JMEMS.2009.2025552 PG 13 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA 501BI UT WOS:000270353200014 ER PT J AU Lee, JW Tung, R Raman, A Sumali, H Sullivan, JP AF Lee, Jin Woo Tung, Ryan Raman, Arvind Sumali, Hartono Sullivan, John P. TI Squeeze-film damping of flexible microcantilevers at low ambient pressures: theory and experiment SO JOURNAL OF MICROMECHANICS AND MICROENGINEERING LA English DT Article ID MODIFIED REYNOLDS-EQUATION; RF MEMS SWITCH; QUALITY FACTOR; WAVE-FORM; RESONATORS; MODEL; VACUUM; SIMULATION; MICROBEAM; ACTUATION AB An improved theoretical approach is proposed to predict the dynamic behavior of long, slender and flexible microcantilevers affected by squeeze-film damping at low ambient pressures. Our approach extends recent continuum gas damping models (Veijola 2004 J. Micromech. Microeng. 14 1109-18, Gallis and Torczynski 2004 J. Microelectromech. Syst. 13 653-9), which were originally derived for a rigid oscillating plate near a wall, to flexible microcantilevers for calculating and predicting squeeze-film damping ratios of higher order bending modes at reduced ambient pressures. Theoretical frequency response functions are derived for a flexible microcantilever beam excited both inertially and via external forcing. Experiments performed carefully at controlled gas pressures are used to validate our theoretical approach over five orders of the Knudsen number. In addition, we investigate the relative importance of theoretical assumptions made in the Reynolds-equation-based approach for flexible microelectromechanical systems. C1 [Lee, Jin Woo] Ajou Univ, Div Mech Engn, Suwon 443709, South Korea. [Tung, Ryan; Raman, Arvind] Purdue Univ, Birck Nanotechnol Ctr, Sch Mech Engn, W Lafayette, IN 47907 USA. [Sumali, Hartono; Sullivan, John P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lee, JW (reprint author), Ajou Univ, Div Mech Engn, San 5 Woncheon Dong, Suwon 443709, South Korea. EM raman@purdue.edu RI Lee, Jin Woo/A-8031-2013 OI Lee, Jin Woo/0000-0001-8634-6755 NR 39 TC 17 Z9 17 U1 0 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0960-1317 EI 1361-6439 J9 J MICROMECH MICROENG JI J. Micromech. Microeng. PD OCT PY 2009 VL 19 IS 10 AR 105029 DI 10.1088/0960-1317/19/10/105029 PG 14 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation; Physics, Applied SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation; Physics GA 498IZ UT WOS:000270133900029 ER PT J AU Zalk, DM Paik, SY Swuste, P AF Zalk, David M. Paik, Samuel Y. Swuste, Paul TI Evaluating the Control Banding Nanotool: a qualitative risk assessment method for controlling nanoparticle exposures SO JOURNAL OF NANOPARTICLE RESEARCH LA English DT Article DE Nanoparticle; Nanomaterial; Control banding; Risk assessment; Qualitative; Risk level; CB Nanotool; Toxicology; Exposure; EHS ID RESEARCH STRATEGIES; SAFETY EVALUATION; CARBON NANOTUBES; NANOMATERIALS; STOFFENMANAGER; PARTICLES; EVOLUTION; WORKSHOP; HAZARDS; HISTORY AB Control banding (CB) strategies offer simplified processes for controlling worker exposures in the absence of firm toxicological and exposure information. The nanotechnology industry is an excellent candidate for applying such strategies with overwhelming uncertainties of work-related health risks posed by nanomaterials. A recent survey shows that a majority of nanomaterial producers are not performing a basic risk assessment of their product in use. The CB Nanotool, used internationally, was developed to conduct qualitative risk assessments to control nanoparticle exposures. Nanotoxicology experts have requested standardization of toxicological parameters to ensure better utility and consistency of research. Such standardization would fit well in the CB Nanotool's severity and probability risk matrix, therefore enhancing the protection of nanotechnology industry workers. This article further evaluates the CB Nanotool for structure, weighting of risk factors, and utility for exposure mitigation, and suggests improvements for the CB Nanotool and the research needed to bolster its effectiveness. C1 [Zalk, David M.; Paik, Samuel Y.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Swuste, Paul] Delft Univ Technol, Safety Sci Grp, NL-2600 GA Delft, Netherlands. RP Zalk, DM (reprint author), Lawrence Livermore Natl Lab, POB 808,L-871, Livermore, CA 94551 USA. EM zalk1@llnl.gov; p.h.j.j.swuste@tudelft.nl FU US DOE [DE-AC52-07NA27344]; Lawrence Livermore National Security, LLC [LLNL-JRNL-413240] FX This manuscript is in part based on a presentation at the OECD Working Party on Manufactured Nanomaterials (WPMN) on exposure assessment and exposure mitigation in Frankfurt, Germany, October 21, 2008 titled "Manufactured nanomaterials Control Banding Nanotool, a qualitative risk assessment method: it might be hazardous at the bottom." Funding, in part, was provided by US DOE by LLNL Contract (DE-AC52-07NA27344); Lawrence Livermore National Security, LLC. LLNL-JRNL-413240. NR 46 TC 49 Z9 53 U1 0 U2 20 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1388-0764 J9 J NANOPART RES JI J. Nanopart. Res. PD OCT PY 2009 VL 11 IS 7 BP 1685 EP 1704 DI 10.1007/s11051-009-9678-y PG 20 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 503NL UT WOS:000270543100012 ER PT J AU Shao, YY Kou, R Wang, J Wang, CM Viswanathan, V Liu, J Wang, Y Lin, YH AF Shao, Yuyan Kou, Rong Wang, Jun Wang, Chongmin Viswanathan, Vish Liu, Jun Wang, Yong Lin, Yuehe TI The Durability Dependence of Pt/CNT Electrocatalysts on the Nanostructures of Carbon Nanotubes: Hollow- and Bamboo-CNTs SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article DE PEM Fuel Cell; Bamboo-Structured Carbon Nanotube; Platinum; Catalyst; Durability ID PEM FUEL-CELL; SOLID-STATE PYROLYSIS; OXYGEN-REDUCTION; METHANOL ELECTROOXIDATION; CATALYST SUPPORT; NANOPARTICLES; ELECTRODES; STABILIZATION; PERFORMANCE; NANOFIBERS AB The electrochemical durability of Pt/CNT with hollow- and bamboo-structured carbon nanotubes (H-CNT and B-CNT) as the support for PEM fuel cells was investigated. Both Pt/CNT electrocatalysts were degraded under cyclic voltammetry (CV, 0.6-1.1 V) accelerated degradation test method. Pt/CNT electrocatalysts were characterized with cyclic voltammograms, rotating disk electrodes, and TEM images. The changes in the electrochemical surface area of Pt and the activity toward oxygen reduction reaction (ORR) before and after the degradation indicate that Pt/B-CNT catalyst exhibited much higher durability than Pt/H-CNT TEM images indicate that the sintering of Pt nanoparticles was much less for Pt/B-CNT Pt/B-CNT also exhibited a little higher activity toward ORR than Pt/H-CNT These are attributed to the specific bamboo-like nanostructures which provide more "bamboo-knot" defects and edge plane-like defects. Pt-support interaction was therefore enhanced and the durability and activity were improved. C1 [Shao, Yuyan; Kou, Rong; Wang, Jun; Wang, Chongmin; Viswanathan, Vish; Liu, Jun; Wang, Yong; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Shao, Yuyan/A-9911-2008; Lin, Yuehe/D-9762-2011; Wang, Yong/C-2344-2013 OI Shao, Yuyan/0000-0001-5735-2670; Lin, Yuehe/0000-0003-3791-7587; FU U.S. DOE-EERE Hydrogen Program; DOE's Office of Biological and Environmental Research [DE-AC05-76L01830] FX This work is supported by the U.S. DOE-EERE Hydrogen Program. The research was performed at the Environmental Molecular Science Laboratory (EMSL), a national scientific used facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for DOE under Contract DE-AC05-76L01830. NR 32 TC 13 Z9 13 U1 0 U2 19 PU AMER SCIENTIFIC PUBLISHERS PI STEVENSON RANCH PA 25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA SN 1533-4880 J9 J NANOSCI NANOTECHNO JI J. Nanosci. Nanotechnol. PD OCT PY 2009 VL 9 IS 10 BP 5811 EP 5815 DI 10.1166/jnn.2009.1359 PG 5 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 487XE UT WOS:000269310700018 PM 19908457 ER PT J AU Natesan, K Shankar, PS AF Natesan, K. Shankar, P. S. TI Uniaxial creep response of Alloy 800H in impure helium and in low oxygen potential environments for nuclear reactor applications SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID METALLIC MATERIALS; ZN ALLOY; TEMPERATURE; BEHAVIOR AB Studies were conducted on the creep behavior of Alloy 800H in impure helium and in a 1%CO-CO(2) environment. At relatively low applied stresses and at low temperatures, the presence of methane in helium reduced the rupture strain significantly while increasing the rupture life relative to the behavior in pure helium. The degradation in rupture strain is due to the occurrence of cleavage fracture in the He + CH(4) environment; this explanation is also supported by high activation energy (Q = 723 kJ/mol) for creep in He + CH(4). At higher applied stresses and also at higher temperatures, creep-rupture behavior in He and He + CH(4) Was similar. Creep response in pure He and in CO-CO(2) follows a dislocation climb-controlled power-law behavior whereas that in He + CH(4) has a different behavior as indicated by the high stress exponent (n = 9.8). The activation energy for creep in pure He was 391 kJ/mol and in CO-CO(2) Was 398 kJ/mol, and appeared to be independent of stress in both environments. On the other hand, in He + CH(4), the activation energy (Q = 723 kJ/mol) seems to be dependent on stress. (C) 2009 Elsevier B.V. All rights reserved. C1 [Natesan, K.; Shankar, P. S.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Shankar, PS (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM natesan@anl.gov FU US Nuclear Regulatory Commission and continued under US Department of Energy [DE-AC02-06CH11357] FX This work was initiated under the sponsorship of the US Nuclear Regulatory Commission and continued under US Department of Energy contract DE-AC02-06CH11357. The authors thank D.L Rink for his assistance with microstructural characterization. NR 27 TC 6 Z9 7 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD OCT 1 PY 2009 VL 394 IS 1 BP 46 EP 51 DI 10.1016/j.jnucmat.2009.08.004 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 514LT UT WOS:000271396900007 ER PT J AU Tan, L Allen, TR Barringer, E AF Tan, L. Allen, T. R. Barringer, E. TI Effect of microstructure on the corrosion of CVD-SiC exposed to supercritical water SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID SILICON-CARBIDE CERAMICS; HIGH-TEMPERATURE WATER; BEHAVIOR AB Silicon carbide (SiC) is an important engineering material being studied for potential use in multiple nuclear energy systems including high-temperature gas-cooled reactors and water-cooled reactors. The corrosion behavior of SiC exposed to supercritical water (SCW) is critical for examining its applications in nuclear reactors. Although the hydrothermal corrosion of SiC has been the subject of many investigations, the study on the microstructural effects on the corrosion is limited. This paper presents the effect of residual strain, grain size, grain boundary types, and surface orientations on the corrosion of chemical vapor deposited (CVD) beta-SiC exposed to SCW at 500 degrees C and 25 MPa. Weight loss occurred on all the samples due to localized corrosion. Residual strains associated with small grains showed the most significant effect on the corrosion compared to the other factors. (C) 2009 Elsevier B.V. All rights reserved. C1 [Tan, L.; Allen, T. R.] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Barringer, E.] Ceram Tubular Prod, Rockville, MD 20855 USA. RP Tan, L (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd,POB 2008 MS6151, Oak Ridge, TN 37831 USA. EM tanl@ornl.gov RI Tan, Lizhen/A-7886-2009; OI Tan, Lizhen/0000-0002-3418-2450; Allen, Todd/0000-0002-2372-7259 FU DOE Generation IV Initiative program; NACE; Office of Naval Research FX This work was supported by the DOE Generation IV Initiative program, NACE, and the Office of Naval Research. This research utilized NSF-supported shared facilities at the University of Wisconsin. NR 16 TC 12 Z9 13 U1 0 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD OCT 1 PY 2009 VL 394 IS 1 BP 95 EP 101 DI 10.1016/j.jnucmat.2009.08.008 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 514LT UT WOS:000271396900012 ER PT J AU Hobbs, ML Kaneshige, MJ Gilbert, DW Marley, SK Todd, SN AF Hobbs, Michael L. Kaneshige, Michael J. Gilbert, Don W. Marley, Stephen K. Todd, Steven N. TI Modeling TNT Ignition SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID THERMAL-DECOMPOSITION; EXPLOSIVES; INITIATION; KINETICS AB A 2,4,6-trinitrotoluene (TNT) ignition model was developed using data from multiple sources.(1-4) The one-step, first-order, pressure-dependent mechanism was used to predict ignition behavior from small- and large-scale experiments involving significant fluid motion. Bubbles created from decomposition gases were shown to cause vigorous boiling. The forced mixing caused by these bubbles was not modeled adequately using only free liquid convection, Thorough mixing and ample contact of the reactive species indicated that the TNT decomposition products were in equilibrium. The effect of impurities on the reaction rate was the primary uncertainty in the decomposition model. C1 [Hobbs, Michael L.] Sandia Natl Labs, Engn Sci Ctr, Nanoscale & React Proc Dept, Albuquerque, NM 87105 USA. [Kaneshige, Michael J.] Sandia Natl Labs, Explos Projects Diagnost Dept, Albuquerque, NM 87105 USA. [Gilbert, Don W.; Marley, Stephen K.] Sandia Natl Labs, Energet Threats & Training Dept, Albuquerque, NM 87105 USA. RP Hobbs, ML (reprint author), Sandia Natl Labs, Engn Sci Ctr, Nanoscale & React Proc Dept, Albuquerque, NM 87105 USA. EM mlhobbs@sandia.gov NR 33 TC 7 Z9 7 U1 1 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD OCT 1 PY 2009 VL 113 IS 39 BP 10474 EP 10487 DI 10.1021/jp906134f PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 496SQ UT WOS:000269999100010 PM 19736950 ER PT J AU Rhee, YM Casanova, D Head-Gordon, M AF Rhee, Young Min Casanova, David Head-Gordon, Martin TI Performance of Quasi-Degenerate Scaled Opposite Spin Perturbation Corrections to Single Excitation Configuration Interaction for Excited State Structures and Excitation Energies with Application to the Stokes Shift of 9-Methyl-9,10-dihydro-9-silaphenanthrene SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID DENSITY-FUNCTIONAL METHODS; SPATIALLY SEPARATED SYSTEMS; MOLLER-PLESSET THEORY; ELECTRONIC-STRUCTURE; LAPLACE TRANSFORM; IDENTITY APPROXIMATION; ANALYTICAL GRADIENT; MODEL CC2; 2ND-ORDER; FAILURE AB The quasi-degenerate scaled opposite spin perturbation correction to single excitation configuration interaction (SOS-CIS(D(0))) is a promising electronic structure method that can describe electronically excited states of sizable molecular systems. In this article, we report an assessment of the performance of SOS-CIS(DD(0)) for adiabatic electronic transition energies and excited state equilibrium geometries for various small molecules. These tests allow optimization of the empirical scaling parameter in SOS-CIS(DD(0)), and it is shown that one universal scaling parameter (chosen as 1.4) can satisfactorily reproduce the experimental results for all the tested molecules. The method is then applied to examine the large Stokes shift observed with a dihydrosilaphenanthrene derivative. The main features of the experimental absorption and emission spectra of this molecule are well reproduced by SOS-CIS(D(0)). C1 [Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu RI Rhee, Young/E-9940-2012; Casanova, David/F-9752-2011 OI Casanova, David/0000-0002-8893-7089 FU U.S. Department of Energy [DE-AC0376SF00098]; NERSC; Korea Institute of Science and Technology Information (KISTI) [KSC-2009-S01-0008]; Fulbright Fellowship FX This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract No. DE-AC0376SF00098. We are grateful for a grant of supercomputer time from NERSC, and also from Korea Institute of Science and Technology Information (KISTI) under Grant No. KSC-2009-S01-0008. D.C. acknowledges a financial support from Fulbright Fellowship. M.H.G. is a partowner of Q-Chem Inc. NR 65 TC 14 Z9 14 U1 1 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD OCT 1 PY 2009 VL 113 IS 39 BP 10564 EP 10576 DI 10.1021/jp903659u PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 496SQ UT WOS:000269999100021 PM 19736963 ER PT J AU Neumark, DM Lineberger, WC AF Neumark, Daniel M. Lineberger, W. Carl TI Comment on "A New Proposal for the Ground State of the FeO- Cluster in the Gas Phase and for the Assignment of Its Photoelectron Spectra" SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID ELECTRON-AFFINITY; EXCITED-STATES; SPECTROSCOPY C1 [Neumark, Daniel M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Neumark, Daniel M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Lineberger, W. Carl] Univ Colorado, JILA, Boulder, CO 80309 USA. [Lineberger, W. Carl] Univ Colorado, Dept Chem, Boulder, CO 80309 USA. RP Neumark, DM (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM dneumark@berkeley.edu RI Neumark, Daniel/B-9551-2009 OI Neumark, Daniel/0000-0002-3762-9473 NR 6 TC 7 Z9 7 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD OCT 1 PY 2009 VL 113 IS 39 BP 10588 EP 10588 DI 10.1021/jp906974n PG 1 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 496SQ UT WOS:000269999100023 PM 19715322 ER PT J AU Luo, WF Cowgill, DF Causey, RA AF Luo, Weifang Cowgill, Donald F. Causey, Rion A. TI Thermodynamic and Kinetic Characterization of Hydrogen-Deuterium Exchange in beta-Phase Palladium SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID CALORIMETRIC ENTHALPIES; ISOTOPIC EXCHANGE; ABSORPTION; DESORPTION; HYDRIDE; PD AB A Sieverts' apparatus coupled with a residual gas analyzer (RGA) is an effective method to detect composition variations during isotopic exchange. This experimental setup provides a tool for the thermodynamic and kinetic characterization of H-D isotope exchange on Pd. The H or D concentrations in the gas and solid phases during the exchanges starting from (H(2) + Pd(x)D) and (D(2) + Pd(x)H) in P-phase Pd were monitored over a temperature range from 173 to 298 K. The equilibrium properties, i.e., the H-D separation factors alpha and equilibrium constants K(HD), were obtained and found to be very close to those in the literature. The values of equilibrium constant reported here are the only experimental K(HD) data for H-D-Pd system. The H-D exchange rates on beta-Pd were measured for both exchange directions. A comprehensive kinetic model is proposed that correlates the exchange rate and the driving force composed of the reactant concentrations and the extent of deviation from equilibrium. The rate constants were obtained using this model for two exchange directions. The rates for the two exchange directions were found to be close to each other at 173 K, but they differ with temperature increase in such a way that the (D(2) + Pd(x)H) has a higher rate than (H(2) + Pd(x)D). The exchange activation energies obtained are 2.0 and 3.5 kJ/mol for the (H(2) + Pd(x)D) and (D(2) + Pd(x)H) directions, respectively. The difference in activation energies results from the difference in the energy states of (H(2) + Pd(x)D) and (D(2) + Pd(x)D). The calculated exchange profiles using this model agree with the experimental values reasonably well. C1 [Luo, Weifang; Cowgill, Donald F.; Causey, Rion A.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Luo, WF (reprint author), Sandia Natl Labs, 7011 East Ave, Livermore, CA 94551 USA. EM wluo@sandia.gov FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. W. Luo thanks Professor T. B. Flanagan at the University of Vermont for valuable suggestions and advice. The authors thank Dr. M. Ong at Sandia Laboratory for Pd powder specific surface measurements. NR 22 TC 7 Z9 7 U1 1 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD OCT 1 PY 2009 VL 113 IS 39 BP 12978 EP 12987 DI 10.1021/jp903633b PG 10 WC Chemistry, Physical SC Chemistry GA 496ST UT WOS:000269999400019 PM 19735117 ER PT J AU Pang, Y Prantil, MA Van Tassle, AJ Jones, GA Fleming, GR AF Pang, Yoonsoo Prantil, Matthew A. Van Tassle, Aaron J. Jones, Garth A. Fleming, Graham R. TI Excited-State Dynamics of 8 '-Apo-beta-caroten-8 '-al and 7 ',7 '-Dicyano-7 '-apo-beta-carotene Studied by Femtosecond Time-Resolved Infrared Spectroscopy SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID RESONANCE RAMAN-SPECTROSCOPY; 2-PHOTON EXCITATION-SPECTRA; LIGHT-HARVESTING COMPLEX; BETA-CAROTENE; ENERGY-TRANSFER; SINGLET-STATE; S-1 STATE; ULTRAFAST DYNAMICS; CONJUGATION LENGTH; SOLVENT POLARITY AB We present infrared transient absorption measurements of the substituted apocarotenoids 8'-apo-beta-caroten-8'-al (I) and 7',7'-dicyano-7'-apo-beta-carotene (II) in the S-1 excited states by one-photon excitation (1PE) and two-photon excitation (2PE). 1PE populates the higher S-2 state, which converts to the S-1 state via rapid internal conversion, and 2PE populates the S-1 state directly. The 1PE-prepared population returns to the ground state on a similar to 19 ps time scale in I and a similar to 2.0 ps time scale in II. Distinct vibrational spectra and dynamics are observed from the 2PE-prepared S-1 state for both I and II: the symmetric C=C stretching vibration around 1500 cm(-1) in the S-1 state is several-fold increased in strength over other C=C stretching modes compared to the 1PE case, and long-lived absorptions are observed even after all the excited-state populations have decayed. The lifetimes of the S-1 state prepared by 2PE are slightly shorter (similar to 17 ps for I and similar to 1.7 ps for II) than the 1PE values. It is proposed that I PE and 2PE lead to the Population of different conformational minima of the S-1 potential surface. These two minima do not communicate on the time scale of the S-1 lifetime and have different relaxation channels on the ground-state surface. C1 [Fleming, Graham R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Fleming, GR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM GRFleming@lbl.gov RI Pang, Yoonsoo/G-9879-2012 OI Pang, Yoonsoo/0000-0002-7291-232X FU NSF FX This research was funded by the NSF. We thank Prof. Lowell D. Kispert for his generous donation of 7',7'-dicyano-7'-apo-beta-carotene and many thoughtful discussions concerning our findings. NR 63 TC 18 Z9 18 U1 1 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD OCT 1 PY 2009 VL 113 IS 39 BP 13086 EP 13095 DI 10.1021/jp905758e PG 10 WC Chemistry, Physical SC Chemistry GA 496ST UT WOS:000269999400031 PM 19736997 ER PT J AU Paesani, F Xantheas, SS Voth, GA AF Paesani, Francesco Xantheas, Sotiris S. Voth, Gregory A. TI Infrared Spectroscopy and Hydrogen-Bond Dynamics of Liquid Water from Centroid Molecular Dynamics with an Ab Initio-Based Force Field SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Review ID QUANTUM-STATISTICAL MECHANICS; TRANSFERABLE INTERACTION MODELS; ECHO CORRELATION SPECTROSCOPY; DENSITY-FUNCTIONAL THEORY; ULTRAFAST VIBRATIONAL SPECTROSCOPY; TIME-CORRELATION FUNCTIONS; POTENTIAL-ENERGY SURFACE; OH STRETCHING BAND; 1ST PRINCIPLES; TEMPERATURE-DEPENDENCE AB A molecular-level description of the unique properties of hydrogen-bond networks is critical for understanding many fundamental physicochemical processes in aqueous environments. In this Article, a novel simulation approach, combining an ab initio-based force field for water with a quantum treatment of the nuclear motion, is applied to investigate hydrogen-bond dynamics in liquid water with a specific focus on the relationship of these dynamics to vibrational spectroscopy. Linear and nonlinear infrared (IR) spectra are calculated for liquid water, HOD in D2O and HOD in H2O, and discussed in the context of the results obtained using other approaches that have been employed in studies of water dynamics. A comparison between the calculated spectra and the available experimental data yields an overall good agreement, indicating the accuracy of the present Simulation approach in describing the properties of liquid water under ambient conditions. Possible improvements on the representation of the underlying water interactions as well as the treatment of the molecular motion at the quantum-mechanical level are also discussed. C1 [Paesani, Francesco; Voth, Gregory A.] Univ Utah, Ctr Biophys Modeling & Simulat, Salt Lake City, UT 84112 USA. [Paesani, Francesco; Voth, Gregory A.] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. [Xantheas, Sotiris S.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Voth, GA (reprint author), Univ Utah, Ctr Biophys Modeling & Simulat, 315 S 1400 E Room 2020, Salt Lake City, UT 84112 USA. EM voth@chemistry.utah.edu RI Xantheas, Sotiris/L-1239-2015; OI Xantheas, Sotiris/0000-0002-6303-1037 FU Office of Naval Research [N00014-05-1-0457]; Division of Chemical Sciences, Biosciences and Geosciences; US Department of Energy FX f This research was supported by the Office of Naval Research through grant N00014-05-1-0457 and by the Division of Chemical Sciences, Biosciences and Geosciences, US Department of Energy. Battelle operates the Pacific Northwest National Laboratory for the US Department of Energy. The authors thank Prof. Jim Skinner and Dr. Piotr Pieniazek for valuable discussions on the hydrogen-bond dynamics in liquid water and for sharing their data for the SPC/E force field. NR 169 TC 79 Z9 79 U1 6 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD OCT 1 PY 2009 VL 113 IS 39 BP 13118 EP 13130 DI 10.1021/jp907648y PG 13 WC Chemistry, Physical SC Chemistry GA 496ST UT WOS:000269999400034 PM 19722542 ER PT J AU Uzun, A Ortalan, V Hao, YL Browning, ND Gates, BC AF Uzun, Alper Ortalan, Volkan Hao, Yalin Browning, Nigel D. Gates, Bruce C. TI Imaging Gold Atoms in Site-Isolated MgO-Supported Mononuclear Gold Complexes SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID CO OXIDATION; ELECTRON-MICROSCOPY; AU-III; 298 K; CATALYSTS; NANOPARTICLES; REACTIVITY; GOLD(III); OXIDE AB Metal oxide- and zeolite-supported mononuclear gold complexes have been inferred, on the basis of spectroscopic data, to be catalytically active for alkene hydrogenation and CO oxidation. However, direct evidence that the catalysts are isolated, individual gold complexes in the absence of gold clusters or particles has been missing. Now we report the first evidence of uniquely site-isolated gold complexes on high-area MgO-in the absence of gold clusters or particles; the images were obtained with aberration-corrected scanning transmission electron microscopy. C1 [Uzun, Alper; Ortalan, Volkan; Hao, Yalin; Browning, Nigel D.; Gates, Bruce C.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Browning, Nigel D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Gates, BC (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, 1 Shields Ave, Davis, CA 95616 USA. EM bcgates@ucdavis.edu OI Uzun, Alper/0000-0001-7024-2900; Browning, Nigel/0000-0003-0491-251X FU DOE [DE-FG02-04ER15600, DE-FG0204ER15513]; National Science Foundation (NSF) [CTS-0500511] FX This work was supported by DOE (A.U., Grant No. DE-FG02-04ER15600; Y.H., Grant No. DE-FG0204ER15513) and by the National Science Foundation (NSF) (V.0., Grant No. CTS-0500511); we acknowledge beam time and the support of the Stanford Synchrotron Radiation Laboratory, operated by Stanford University for the DOE, Office of Energy Research, Basic Energy Sciences, for access to beam time on beamline 2-3. The STEM images were acquired at Oak Ridge National Laboratory's Shared Research Equipment User Facility, supported by the Division of Scientific User Facilities, Basic Energy Sciences, DOE. NR 30 TC 17 Z9 17 U1 0 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 1 PY 2009 VL 113 IS 39 BP 16847 EP 16849 DI 10.1021/jp906754j PG 3 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 496SW UT WOS:000269999700003 ER PT J AU Rankin, RB Liu, JC Kulkarni, AD Johnson, JK AF Rankin, Rees B. Liu, Jinchen Kulkarni, Anant D. Johnson, J. Karl TI Adsorption and Diffusion of Light Gases in ZIF-68 and ZIF-70: A Simulation Study SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID METAL-ORGANIC FRAMEWORKS; ZEOLITIC IMIDAZOLATE FRAMEWORKS; MOLECULAR-DYNAMICS SIMULATIONS; TOTAL-ENERGY CALCULATIONS; MONTE-CARLO-SIMULATION; AUGMENTED-WAVE METHOD; CARBON-DIOXIDE; ELECTROSTATIC POTENTIALS; ATOMISTIC SIMULATIONS; PHASE-EQUILIBRIA AB We have computed the adsorption and diffusion of CO(2), N(2), CH(4), and H(2) in zeolitic imidazolate framework (ZIF) materials ZIF-68 and ZIF-70 from atomistic simulations. These simulations were performed using geometries obtained from density functional theory (DFT) optimization of the experimental crystal structure of ZIF-68 and on four structures of ZIF-70, one based on the experimental crystal structure and three having different imidazole/nitroimidazole substitution ratios. The framework charges for charge-quadrupole interaction (CQI) terms in our simulations were parametrized with charges obtained from Bader charge decomposition (periodic DFT calculations) and ChelpG charges (Cluster DFT calculations). The adsorption and diffusion of the quadrupolar fluids can be dramatically different when using the Bader and ChelpG charges. Agreement between simulations and experiments for the N(2) adsorption isotherms in ZIF-68 and 70 is very good when CQI terms are included. In contrast, simulations overpredict the amount of CO(2) adsorbed at 298 K compared with experiments. C1 [Rankin, Rees B.; Liu, Jinchen; Johnson, J. Karl] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Rankin, Rees B.; Liu, Jinchen; Kulkarni, Anant D.; Johnson, J. Karl] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15236 USA. RP Johnson, JK (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM karlj@pitt.edu RI KULKARNI, ANANT/D-3124-2012; Johnson, Karl/E-9733-2013 OI Johnson, Karl/0000-0002-3608-8003 FU National Energy Technology Laboratory's [DEAC26-04NT41817] FX This work was performed in support of the National Energy Technology Laboratory's ongoing research in the area of carbon management under the RDS contract DEAC26-04NT41817 NR 59 TC 84 Z9 85 U1 17 U2 69 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 1 PY 2009 VL 113 IS 39 BP 16906 EP 16914 DI 10.1021/jp903735m PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 496SW UT WOS:000269999700012 ER PT J AU Jiang, DE Chen, W Whetten, RL Chen, ZF AF Jiang, De-en Chen, Wei Whetten, Robert L. Chen, Zhongfang TI What Protects the Core When the Thiolated Au Cluster is Extremely Small? SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID GOLD NANOCLUSTERS; CRYSTAL-STRUCTURE; KDA GOLD; COMPLEXES; NANOPARTICLE; AU(111); AU-38; AU-25; GAP AB The title question is motivated by the fact that extremely small thiolated-gold clusters such as Au(20)(SR)(16) have been isolated, but their undetermined structures cannot be fully rationalized by the present knowledge derived from single-crystal structures of larger Clusters. One needs to go beyond the linear monomer (RSAuSR) and V-shaped dimer (RSAuSRAuSR) motifs that were found to protect larger clusters. We hypothesize that the U-shaped trimer motif (RSAuSRAuSRAuSR) is required to protect the core of some extremely small thiolated-gold clusters, which have about 20 or fewer Au atoms. We test this hypothesis by proposing structural models for Au(10)(SR)(8) based on two trimer motifs protecting a tetrahedral Au(4) core and for Au(20)(SR)(16) based oil four trimer motifs protecting all Au(8) core. C1 [Jiang, De-en] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Chen, Wei; Chen, Zhongfang] Univ Puerto Rico, Inst Funct Nanomat, Dept Chem, Rio Piedras, PR 00931 USA. [Whetten, Robert L.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. RP Jiang, DE (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM jiangd@ornl.gov RI Jiang, De-en/D-9529-2011 OI Jiang, De-en/0000-0001-5167-0731 FU Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-00OR22725]; UT-Battelle; LLC; NSF [CHE-0716718]; Institute for Functional Nanomaterials [0701525]; US Environmental Protection Agency [RD-83385601] FX This work was supported by the Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC, and by NSF Grant CHE-0716718, the Institute for Functional Nanomaterials (NSF Grant 0701525), and the US Environmental Protection Agency (EPA Grant No. RD-83385601). D.J. thanks NR 32 TC 67 Z9 67 U1 1 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 1 PY 2009 VL 113 IS 39 BP 16983 EP 16987 DI 10.1021/jp906823d PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 496SW UT WOS:000269999700024 ER PT J AU Shkrob, IA Chemerisov, SD AF Shkrob, Ilya A. Chemerisov, Sergey D. TI Light Induced Fragmentation of Polyfunctional Carboxylated Compounds on Hydrated Metal Oxide Particles: From Simple Organic Acids to Peptides SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Review ID ELECTRON-SPIN-RESONANCE; ALPHA-AMINO-ACIDS; MOLECULAR-DYNAMICS SIMULATIONS; MARTIAN DUST DEVILS; O-SERINE PHOSPHATE; RESOLVED FT EPR; SINGLE-CRYSTALS; AQUEOUS-SOLUTION; GUSEV CRATER; ACETIC-ACID AB Light induced reactions of carboxylic, hydroxycarboxylic, and aminocarboxylic acids, carboxylated aromatics, and alpha-amino acids and peptides adsorbed on hydrated anatase (TiO(2)), goethite (alpha-FeOOH), and hematite (alpha-Fe(2)O(3)) have been studied at low temperature (77-200 K), by means of electron paramagnetic resonance (EPR) spectroscopy, and at 295 K, by means of transient absorption spectroscopy. In the room-temperature solution, the photocatalytic decomposition of carboxylated molecules, in the absence of synergistic adsorption by hydroxyl groups (e.g., in serine), is inefficient due to weak surface binding. The yield of radical formation increases significantly at low temperature, as the carboxylated molecules adsorb on the surface. The main photodegradation path is decarboxylation initiated by charge transfer from the metal oxide to the adsorbate. Below 120 K, for carboxylic acids and nonaromatic amino acids and peptides, the decarboxylation is the only reaction pathway, yielding the corresponding C-centered radicals. At higher temperature these radicals become mobile and abstract H from the parent molecules. For aromatic amino acids (histidine, tyrosine, and tryptophan) charge transfer followed by deprotonation is the predominant photoreaction. For polycarboxylated aromatics, the outcome of the charge transfer is determined by the stability of the trapped-hole species. In addition to trapping holes, some adsorbates, Such as mellitic acid, trap surface electrons. The photocatalytic activity of the anatase, goethite, and hematite are similar for aromatic, carboxylic, and hydroxycarboxylic acids; for hematite, this activity reduces markedly for a-amino acids and peptides. The rutile is inactive toward these carboxylated molecules. These findings are related to martian soil chemistry, biomedical chemistry, and photocatalysis. C1 [Shkrob, Ilya A.; Chemerisov, Sergey D.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Shkrob, IA (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM shkrob@anl.gov FU U.S. Department of Energy [DE-AC-02-06CH11357]; NASA Planetary Division Mars Fundamental Research [NNH08AI65I] FX I.A.S. thanks M. Zolotov, T. Rajh, N. Dimitrijevic, G. Delory, M. Moore, and A. Schuerger for many useful discussions and freely given opinions and T. W. Marin for critical reading of this paper. This work was supported by the Office of Science, Division of Chemical Sciences, U.S. Department of Energy, under Contract No. DE-AC-02-06CH11357 and the NASA Planetary Division Mars Fundamental Research Grant NNH08AI65I. NR 114 TC 22 Z9 22 U1 2 U2 35 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 1 PY 2009 VL 113 IS 39 BP 17138 EP 17150 DI 10.1021/jp906250w PG 13 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 496SW UT WOS:000269999700045 ER PT J AU Weier, HUG Kwan, J Lu, CM Ito, Y Wang, M Baumgartner, A Hayward, SW Weier, JF Zitzelsberger, HF AF Weier, H-U G. Kwan, J. Lu, C-M Ito, Y. Wang, M. Baumgartner, A. Hayward, S. W. Weier, J. F. Zitzelsberger, H. F. TI KINASE EXPRESSION AND CHROMOSOMAL REARRANGEMENTS IN PAPILLARY THYROID CANCER TISSUES: INVESTIGATIONS AT THE MOLECULAR AND MICROSCOPIC LEVELS SO JOURNAL OF PHYSIOLOGY AND PHARMACOLOGY LA English DT Article; Proceedings Paper CT 13th International Congress of Histochemistry and Cytochemistry (ICHC 2008) CY AUG 23-27, 2008 CL Gdansk, POLAND SP Polish Soc Histochem & Cytochem DE thyroid cancer; radiation; Chernobyl; gene expression; chromosome aberration; translocation ID IN-SITU HYBRIDIZATION; CYTOGENETIC CHARACTERIZATION; GENETIC-ANALYSIS; CELL-LINE; CARCINOMA; RET; ACTIVATION; ONCOGENE; TUMORS; NTRK1 AB Structural chromosome aberrations are known hallmarks of many solid tumors In the papillary form of thyroid cancer (PTC), for example, activation of the receptor tyrosine kinase (RTK) genes, net or the neurotrophic tyrosine kinase receptor type 1 (NTRK1) by intra- or interchromosomal rearrangements have been suggested as a cause of the disease. The 1986 accident at the nuclear power plant in Chernobyl. Ukraine, led to the uncontrolled release of high levels of radiositopes Ten years later, the incidence of chidlhood papillary thyroid cancer (chPTC) near Chernobyl had risen by two orders of magnitude Tumors removed from some of these patients showed aberrant expression of the ret RTK gene due to a ret/PTC1 or ret/PTC3 rearrangement involving chromosome 10 However, many cultured chPTC cells show a normal G-banded karyotype and no ret rearrangement. We hypothesize that the "ret-negative" tumors inappropriately express a different oncogene or have lost function of a tumor suppressor as a rusult of chromosomal rearrangement, and decided to apply molecular and cytogenetic methods to search for potentially oncogenic chromosomal rearrangement in Chernobyl chPTC cases Knowledge of the kind of genetic alterations may facilitate the early detection and staging of chPTC as well as provide guidance for therapeutic intervention. C1 [Weier, H-U G.; Kwan, J.; Baumgartner, A.; Weier, J. F.] Univ Calif Berkeley, EO Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Lu, C-M] Natl Chin Yi Univ Technol, Dept Chem & Mat Engn, Taiping City 411, Taichung, Taiwan. [Ito, Y.] Minist Educ Culture Sports Sci & Technol, NISTEP, Tokyo, Japan. [Wang, M.] CALTECH, Pasadena, CA 91125 USA. [Baumgartner, A.; Weier, J. F.] Univ Calif San Francisco, Dept Obstet Gynecol & Reprod Sci, San Francisco, CA 94143 USA. [Hayward, S. W.] Vanderbilt Univ, Med Ctr, Dept Urol Surg, Nashville, TN 37235 USA. [Zitzelsberger, H. F.] Helmholtz Zentrum Muenchen, Neuherberg, Germany. RP Weier, HUG (reprint author), Univ Calif Berkeley, EO Lawrence Berkeley Natl Lab, Div Life Sci, MS 977-250,1 Cyclotron Rd, Berkeley, CA 94720 USA. RI Hayward, Simon/A-1688-2011 FU NCI NIH HHS [CA88258, R01 CA080792, R21 CA123370, R21 CA088258, CA123370, CA80792, R01 CA080792-01A2, R21 CA088258-01, R21 CA123370-02]; NICHD NIH HHS [HD45736, HD41425, K25 HD041425, R01 HD045736, R01 HD045736-03] NR 43 TC 4 Z9 4 U1 0 U2 1 PU POLISH PHYSIOLOGICAL SOC PI GRZEGORZECKA PA JAGIELLONIAN UNIV SCHOOL MED, INST PHYSIOLOGY, 31-531 KRAKOW, 16 GRZEGORZECKA, POLAND SN 0867-5910 J9 J PHYSIOL PHARMACOL JI J. Physiol. Pharmacol. PD OCT PY 2009 VL 60 SU 4 BP 47 EP 55 PG 9 WC Physiology SC Physiology GA 562CK UT WOS:000275026700007 PM 20083851 ER PT J AU Maziasz, PJ Shingledecker, JP Evans, ND Pollard, MJ AF Maziasz, Philip J. Shingledecker, John P. Evans, Neal D. Pollard, Michael J. TI Developing New Cast Austenitic Stainless Steels With Improved High-Temperature Creep Resistance SO JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT Joint Conference of the ASME Pressure Vessels and Piping Division/8th International Conference on Creep and Fatigue at Elevated Temperatures CY JUL 22-26, 2007 CL San Antonio, TX DE austenitic stainless steel; casting; creep; fracture AB Oak Ridge National Laboratory and Caterpillar (CAT) have recently developed a new cast austenitic stainless steel, CF8C-Plus, for a wide range of high-temperature applications, including diesel exhaust components and turbine casings. The creep-rupture life of the new CF8C-Plus is over ten times greater than that of the standard cast CF8C stainless steel, and the creep-rupture strength is about 50-70% greater. Another variant, CF8C-Plus Cu/W, has been developed with even more creep strength at 750-850 degrees C. The creep strength of these new cast austenitic stainless steels is close to that of wrought Ni-based superalloys such as 617. CF8C-Plus steel was developed in about 1.5 years using an "engineered microstructure" alloy development approach, which produces creep resistance based on the formation of stable nanocarbides (NbC), and resistance to the formation of deleterious intermetallics (sigma, Laves) during aging or service. The first commercial trial heats (227.5 kg or 500 lb) of CF8C-Plus steel were produced in 2002, and to date, over 27,215 kg (300 tons) have been produced, including various commercial component trials, but mainly for the commercial production of the Caterpillar regeneration system (CRS). The CRS application is a burner housing for the on-highway heavy-duty diesel engines that begins the process to burn-off particulates trapped in the ceramic diesel particulate filter (DPF). The CRS/DPF technology was required to meet the new more stringent emissions regulations in January, 2007, and subjects the CRS to frequent and severe thermal cycling. To date, all CF8C-Plus steel CRS units have performed successfully. The status of testing for other commercial applications of CF8C-Plus steel is also summarized. C1 [Maziasz, Philip J.; Shingledecker, John P.; Evans, Neal D.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Pollard, Michael J.] Caterpillar Tech Ctr, Peoria, IL 61656 USA. RP Maziasz, PJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RI Evans, Neal/F-5955-2011; OI Maziasz, Philip/0000-0001-8207-334X NR 9 TC 7 Z9 8 U1 1 U2 17 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-9930 J9 J PRESS VESS-T ASME JI J. Press. Vessel Technol.-Trans. ASME PD OCT PY 2009 VL 131 IS 5 AR 051404 DI 10.1115/1.3141437 PG 7 WC Engineering, Mechanical SC Engineering GA 491AK UT WOS:000269549000016 ER PT J AU Payne, RF Drader, JA Friese, JI Greenwood, LR Hines, CC Metz, LA Kephart, JD King, MD Pierson, BD Smith, JD Wall, DE AF Payne, Rosara F. Drader, J. A. Friese, J. I. Greenwood, L. R. Hines, C. C. Metz, L. A. Kephart, J. D. King, M. D. Pierson, B. D. Smith, J. D. Wall, D. E. TI Neutron fluence and energy reproducibility of a 2-dollar TRIGA reactor pulse SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Neutron fluence; Pulse; Neutron activation analysis AB Washington State University's 1 MW TRIGA reactor has a long history of utilization for neutron activation analysis (NAA). TRIGA reactors have the ability to pulse, reach supercritical (k > 1) for short bursts of time (similar to 50 ms). At this high power and fast time the energy spectrum and neutron fluence are largely uncharacterized. The pulse neutron energy spectrum and fluence were determined by the activation of Cu, Au, Co, Fe, and Ti. These analyses were completed with and without Cd shielding to determine reproducibility between pulses. The applications and implications of the neutron energy and fluence reproducibility to the use of pulsed NAA will be discussed. C1 [Payne, Rosara F.; Friese, J. I.; Greenwood, L. R.; Metz, L. A.; Kephart, J. D.; Pierson, B. D.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Drader, J. A.; Hines, C. C.; King, M. D.; Smith, J. D.; Wall, D. E.] Washington State Univ, Dodgen Res Facil, Nucl Radiat Ctr, Pullman, WA 99164 USA. [Drader, J. A.; Wall, D. E.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA. RP Payne, RF (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM Rosara.payne@pnl.gov RI Greenwood, Lawrence/H-9539-2016 OI Greenwood, Lawrence/0000-0001-6563-0650 FU Office of Defense Nuclear Nonproliferation (DNN); U. S. Department of Energy; Pacific Northwest National Laboratory; U. S. Department of Energy [DE-AC06-76RLO 1830] FX This work was supported by the Office of Defense Nuclear Nonproliferation (DNN), U. S. Department of Energy, and Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the U. S. Department of Energy under Contract DE-AC06-76RLO 1830. NR 6 TC 5 Z9 5 U1 0 U2 5 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD OCT PY 2009 VL 282 IS 1 BP 59 EP 62 DI 10.1007/s10967-009-0302-5 PG 4 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 509OM UT WOS:000271027400014 ER PT J AU Douglas, M Friese, JI Greenwood, LR Farmer, OT Thomas, ML Maiti, TC Finn, EC Garofoli, SJ Gassman, PL Huff, MM Schulte, SM Smith, SC Thomas, KK Bachelor, PP AF Douglas, M. Friese, J. I. Greenwood, L. R. Farmer, O. T., III Thomas, M. L. Maiti, T. C. Finn, E. C. Garofoli, S. J. Gassman, P. L. Huff, M. M. Schulte, S. M. Smith, S. C. Thomas, K. K. Bachelor, P. P. TI Separation and quantification of chemically diverse analytes in neutron irradiated fissile materials SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Gamma spectrometry; Chemical separations; Fission products ID ANION-EXCHANGE; ACID SOLUTIONS; EXTRACTION; WASTE AB Quantitative measurement of fission and activation products resulting from neutron irradiation of fissile materials is of interest for applications in environmental monitoring, nuclear waste management, and national security. Based on established separation processes involving co-precipitation, solvent extraction, and ion-exchange and extraction chromatography, we have optimized a proposed sequence of separation steps to allow for the timely quantification of analytes of interest. We have recently evaluated this scheme using an irradiated sample to examine the adequacy of separations for measurement of desired analytes by gamma spectrometry. Here we present the radiochemical separations utilized and the yields and purity obtained. C1 [Douglas, M.; Friese, J. I.; Greenwood, L. R.; Farmer, O. T., III; Thomas, M. L.; Maiti, T. C.; Finn, E. C.; Garofoli, S. J.; Gassman, P. L.; Huff, M. M.; Schulte, S. M.; Smith, S. C.; Thomas, K. K.; Bachelor, P. P.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Douglas, M (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM matthew.douglas@pnl.gov RI Greenwood, Lawrence/H-9539-2016; OI Greenwood, Lawrence/0000-0001-6563-0650; Douglas, Matthew/0000-0001-9708-1780; Gregory, Stephanie/0000-0001-9952-0388 FU Office of Nuclear Detonation Detection; Nonproliferation Research and Development; National Nuclear Security Administration; U. S. Department of Energy; Director Randy Bell; [NA-22] FX We gratefully recognize funding by NA-22, Office of Nuclear Detonation Detection, Nonproliferation Research and Development, National Nuclear Security Administration, U. S. Department of Energy, and Director Randy Bell. We thank Don Wall of the Dodgen Research Facility and Nuclear Radiation Center at Washington State University for his assistance with the neutron irradiation of HEU and production of activation product radionuclides. NR 11 TC 8 Z9 8 U1 0 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD OCT PY 2009 VL 282 IS 1 BP 63 EP 68 DI 10.1007/s10967-009-0263-8 PG 6 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 509OM UT WOS:000271027400015 ER PT J AU Brockman, JD Nigg, DW Hawthorne, MF Lee, MW McKibben, C AF Brockman, J. D. Nigg, D. W. Hawthorne, M. F. Lee, M. W. McKibben, C. TI Characterization of a boron neutron capture therapy beam line at the University of Missouri Research Reactor SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Boron neutron capture therapy (BNCT); Thermal neutron capture therapy ID GLIOBLASTOMA; FACILITY; BNCT AB A new research effort aimed at increasing the catalog of boron delivery agents for boron neutron capture therapy (BNCT) has been undertaken by the International Institute of Nano and Molecular Medicine (IINMM) at the University of Missouri. The MU Research Reactor (MURR) and Idaho National Laboratory (INL) have constructed a facility for small animal BNCT experiments. The facility incorporates silicon and bismuth single crystal filters to produce a thermal neutron beam. The thermal beam has a measured thermal flux of 8.8 x 10(8) n cm(-2) s(-1) and a gold cadmium ratio of 130. The neutron and photon dose rates were measured using paired ion chambers. C1 [Brockman, J. D.; Hawthorne, M. F.; Lee, M. W.; McKibben, C.] Univ Missouri, Int Inst Nano & Mol Med, Columbia, MO 65211 USA. [Brockman, J. D.; Hawthorne, M. F.; Lee, M. W.; McKibben, C.] Univ Missouri Res Reactor, Columbia, MO USA. [Nigg, D. W.] Idaho Natl Lab, Idaho Falls, ID USA. RP Brockman, JD (reprint author), Univ Missouri, Int Inst Nano & Mol Med, Columbia, MO 65211 USA. EM brockmanjd@missouri.edu; David.Nigg@inl.gov; hawthornem@missouri.edu; Leemw@missouri.edu; Mckibbenj@missouri.edu OI Brockman, John/0000-0001-7419-5558 NR 12 TC 4 Z9 4 U1 0 U2 4 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD OCT PY 2009 VL 282 IS 1 BP 157 EP 160 DI 10.1007/s10967-009-0169-5 PG 4 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 509OM UT WOS:000271027400031 ER PT J AU Lasche, GP Coldwell, RL AF Lasche, George P. Coldwell, Robert L. TI Analysis of nuclear spectra with non-linear techniques and its implementation in the Cambio software application SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Nuclear spectral analysis; Nuclear spectrum format translation; Non-linear least-squares minimization AB Popular nuclear spectral analysis applications typically use either the results of a peak search or of the best match of a set of linear templates as the basis for their conclusions. These wellaEuroproven methods work well in controlled environments. However, they often fail in cases where the critical information resides in well-masked peaks, where the data is sparse and good statistics cannot be obtained, and where little is known about the detector that was used. These conditions are common in emergency analysis situations, but are also common in radioaEuroassay situations where background radiation is high and time is limited. To address these limitations, nonaEurolinear fitting techniques have been introduced into an application called "Cambio" suitable for public use. With this approach, free parameters are varied in iterative steps to converge to values that minimize differences between the actual data and the approximating functions that correspond to the values of the parameters. For each trial nuclide, a single parameter is varied that often has a strongly nonaEurolinear dependence on other, simultaneously varied parameters for energy calibration, attenuation by intervening matter, detector resolution, and peak-shape deviations. A brief overview of this technique and its implementation is presented, together with an example of its performance and differences from more common methods of nuclear spectral analysis. C1 [Lasche, George P.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lasche, GP (reprint author), Sandia Natl Labs, MS 0782,POB 5800, Albuquerque, NM 87185 USA. EM gplasch@sandia.gov NR 9 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD OCT PY 2009 VL 282 IS 1 BP 211 EP 215 DI 10.1007/s10967-009-0282-5 PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 509OM UT WOS:000271027400041 ER PT J AU Jackman, KR Gritzo, RE Biegalski, SR AF Jackman, K. R. Gritzo, R. E. Biegalski, S. R. TI A software package using a mesh-grid method for simulating HPGe detector efficiencies SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Germanium detector; HPGe; Efficiency ID GAMMA-RAY SPECTROMETRY; ABSOLUTE PEAK EFFICIENCY; GERMANIUM DETECTORS; CODE AB Traditional ways of determining the absolute full-energy peak efficiencies of high-purity germanium (HPGe) detectors are often time consuming, cost prohibitive, or not feasible. A software package, KMESS (Kevin's Mesh Efficiency Simulator Software), was developed to assist in predicting these efficiencies. It uses a semi-empirical mesh-grid method and works for arbitrary source shapes and counting geometries. The model assumes that any gamma-ray source shape can be treated as a large enough collection of point sources. The code is readily adaptable, has a web-based graphical front-end, and could easily be coupled to a 3D scanner. As will be shown, this software can estimate absolute full-energy peak efficiencies with good accuracy in reasonable computation times. It has applications to the field of gamma-ray spectroscopy because it is a quick and accurate way to assist in performing quantitative analyses using HPGe detectors. C1 [Jackman, K. R.] Remote Sensing Lab, Pearl City, HI USA. [Gritzo, R. E.] Los Alamos Natl Lab, Los Alamos, NM USA. [Biegalski, S. R.] Univ Texas Austin, Austin, TX 78712 USA. RP Jackman, KR (reprint author), Remote Sensing Lab, Pearl City, HI USA. EM jackmakr@nv.doe.gov RI Biegalski, Steven/A-7765-2010 FU U.S. Department of Energy [DE-AC52-06NA25946] FX This manuscript has been authored by Los Alamos National Laboratory and The University of Texas at Austin. This manuscript has also been authored by National Security Technologies, LLC, under Contract No. DE-AC52-06NA25946 with the U. S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 14 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD OCT PY 2009 VL 282 IS 1 BP 223 EP 226 DI 10.1007/s10967-009-0246-9 PG 4 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 509OM UT WOS:000271027400043 ER PT J AU Hoover, AS Bacrania, MK Hoteling, NJ Karpius, PJ Rabin, MW Rudy, CR Vo, DT Beall, JA Bennett, DA Doriese, WB Hilton, GC Horansky, RD Irwin, KD Ullom, JN Vale, LR AF Hoover, A. S. Bacrania, M. K. Hoteling, N. J. Karpius, P. J. Rabin, M. W. Rudy, C. R. Vo, D. T. Beall, J. A. Bennett, D. A. Doriese, W. B. Hilton, G. C. Horansky, R. D. Irwin, K. D. Ullom, J. N. Vale, L. R. TI Microcalorimeter arrays for ultra-high energy resolution X- and gamma-ray detection SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Microcalorimeter; Gamma-ray; X-ray; Ultra-high energy resolution ID SENSORS AB Microcalorimeter detectors provide superior energy resolution for the detection of X-rays and gamma-rays. The technology utilizes a cryogenic transition-edge sensor (TES) coupled to a tin bulk absorber. We are working on fabrication methods for the production of arrays with many sensors. In this paper, we present data collected with an array of microcalorimeters using as many as 26 sensor elements simultaneously. Advances in sensor design have extended the useful dynamic range to photon energies up to similar to 200 keV, while providing resolution performance in the 80-90 eV FWHM range, significantly better than planar high-purity germanium. These sensor arrays have applications in the measurement of nuclear materials. We present data collected from (153)Gd, a highly-enriched uranium sample, and a plutonium isotopic standard source. We also demonstrate clean separation of the (235)U 185.715 keV peak from the ubiquitous (226)Ra 186.211 keV background peak interference. C1 [Hoover, A. S.; Bacrania, M. K.; Hoteling, N. J.; Karpius, P. J.; Rabin, M. W.; Rudy, C. R.; Vo, D. T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Beall, J. A.; Bennett, D. A.; Doriese, W. B.; Hilton, G. C.; Horansky, R. D.; Irwin, K. D.; Ullom, J. N.; Vale, L. R.] Natl Inst Stand & Technol, Boulder, CO 80305 USA. RP Hoover, AS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM ahoover@lanl.gov; minesh@lanl.gov; hoteling@lanl.gov; karpius@lanl.gov; rabin@lanl.gov; crudy@lanl.gov; ducvo@lanl.gov; james.beall@nist.gov; douglas.bennett@nist.gov; william.doriese@nist.gov; gene.hilton@nist.gov; robert.horansky@nist.gov; kent.irwin@nist.gov; joel.ullom@nist.gov; leila.vale@nist.gov RI Bennett, Douglas/B-8001-2012 OI Bennett, Douglas/0000-0003-3011-3690 NR 9 TC 12 Z9 12 U1 0 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD OCT PY 2009 VL 282 IS 1 BP 227 EP 232 DI 10.1007/s10967-009-0223-3 PG 6 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 509OM UT WOS:000271027400044 ER PT J AU Aalseth, CE Day, AR Hoppe, EW Hossbach, TW Hyronimus, BJ Keillor, ME Litke, KE Mintzer, EE Seifert, A Warren, GA AF Aalseth, Craig E. Day, Anthony R. Hoppe, Eric W. Hossbach, Todd W. Hyronimus, Brian J. Keillor, Martin E. Litke, Kevin E. Mintzer, Esther E. Seifert, Allen Warren, Glen A. TI Design and construction of a low-background, internal-source proportional counter SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Radiopurity; Gas proportional counter; Electroformed copper; Low-background ID RADIOACTIVITY AB High-purity copper has emerged as a preferred construction material for ultra-low-background HPGe spectrometers and offers excellent bulk radiopurity along with good electrical, thermal, and vacuum properties. Recently, these materials and techniques have been applied to the construction of low-background internal-source gas proportional counters. This work describes the design, construction, and testing of an ultra-low-background internal-source gas proportional counter built primarily of high purity electroformed copper. Energy resolution of similar to 10% FWHM at 59.5 keV has been achieved, a low-energy threshold of similar to 3 keV has been reached, and gas gain stability over a 4-week period has been demonstrated. Progress toward low-background operation is described. C1 [Aalseth, Craig E.; Day, Anthony R.; Hoppe, Eric W.; Hossbach, Todd W.; Hyronimus, Brian J.; Keillor, Martin E.; Litke, Kevin E.; Mintzer, Esther E.; Seifert, Allen; Warren, Glen A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Aalseth, CE (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,MSIN P8-01, Richland, WA 99352 USA. EM Craig.Aalseth@pnl.gov OI Keillor, Martin/0000-0001-7828-5868; Day, Anthony/0000-0002-1217-1822 NR 4 TC 18 Z9 18 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD OCT PY 2009 VL 282 IS 1 BP 233 EP 237 DI 10.1007/s10967-009-0258-5 PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 509OM UT WOS:000271027400045 ER PT J AU Plionis, AA Garcia, SR Gonzales, ER Porterfield, DR Peterson, DS AF Plionis, A. A. Garcia, S. R. Gonzales, E. R. Porterfield, D. R. Peterson, D. S. TI Replacement of lead bricks with non-hazardous polymer-bismuth for low-energy gamma shielding SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Lead; Bismuth; Shielding; Gamma; Spectrometer; Low-energy; Low-level; Waste; RCRA AB Lead is a hazardous substance, making it a disposal and industrial hygiene problem. The potential for creating mixed waste or mixed TRU waste exists if the lead becomes contaminated. The disposal of either waste stream is extremely difficult and costly. Bismuth is a non-hazardous material with shielding characteristics similar to lead. An HPGe was characterized using detector shielding composed of lead and polyethylene-based-bismuth to compare the shielding efficacy of both materials. Polymer-bismuth bricks may be recommended as gamma spectrometer shielding for sensitive low-energy measurements. C1 [Plionis, A. A.; Garcia, S. R.; Gonzales, E. R.; Porterfield, D. R.; Peterson, D. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Garcia, S. R.] Rudolpho Consulting LLC, Rio Rancho, NM 87144 USA. RP Plionis, AA (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM aplionis@lanl.gov FU Los Alamos National Laboratory Pollution Prevention Office FX The authors gratefully acknowledge the support of the Los Alamos National Laboratory Pollution Prevention Office for their support and funding of this research. NR 6 TC 8 Z9 8 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD OCT PY 2009 VL 282 IS 1 BP 239 EP 242 DI 10.1007/s10967-009-0245-x PG 4 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 509OM UT WOS:000271027400046 ER PT J AU Meier, DE Garnov, AY Robertson, JD Kwon, JW Wacharasindhu, T AF Meier, D. E. Garnov, A. Y. Robertson, J. D. Kwon, J. W. Wacharasindhu, T. TI Production of S-35 for a liquid semiconductor betavoltaic SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE S-35; Betavoltaic AB The specific energy density from radioactive decay is five to six orders of magnitude greater than the specific energy density in conventional chemical battery and fuel cell technologies. We are currently investigating the use of liquid semiconductor based betavoltaics as a way to directly convert the energy of radioactive decay into electrical power and potentially avoid the radiation damage that occurs in solid state semiconductor devices due to non-ionizing energy loss. Sulfur-35 was selected as the isotope for the liquid semiconductor demonstrations because it can be produced in high specific activity and is chemically compatible with known liquid semiconductor media. C1 [Meier, D. E.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Garnov, A. Y.; Robertson, J. D.] Univ Missouri, Res Reactor, Columbia, MO 65211 USA. [Robertson, J. D.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. [Kwon, J. W.; Wacharasindhu, T.] Univ Missouri, Dept Elect & Comp Engn, Columbia, MO 65211 USA. RP Meier, DE (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-02, Richland, WA 99352 USA. EM david.meier@pnl.gov; robertsonjo@missouri.edu NR 10 TC 5 Z9 5 U1 2 U2 10 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD OCT PY 2009 VL 282 IS 1 BP 271 EP 274 DI 10.1007/s10967-009-0157-9 PG 4 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 509OM UT WOS:000271027400052 ER PT J AU Liezers, M Lehn, SA Olsen, KB Farmer, OT Duckworth, DC AF Liezers, M. Lehn, S. A. Olsen, K. B. Farmer, O. T., III Duckworth, Douglas C. TI Determination of plutonium isotope ratios at very low levels by ICP-MS using on-line electrochemically modulated separations SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Plutonium; Isotopic; ICP-MS; Quadrupole; Electrochemistry; Preconcentration; Separations; Matrix elimination; Glassy carbon ID ENVIRONMENTAL-SAMPLES; ELECTRODE; URANIUM AB Electrochemically modulated separations (EMS) are shown to be a rapid and selective means of extracting and concentrating Pu from complex solutions prior to isotopic analysis by inductively coupled plasma mass spectrometry (ICPaEuroMS). This separation is performed in a flow injection mode, onaEuroline with the ICPaEuroMS. A threeaEuroelectrode, flowaEuroby electrochemical cell is used to accumulate Pu at an anodized glassy carbon electrode by redox conversion of Pu(III) to Pu (IV&VI). The entire process takes place in 2% (v/v) (0.46 M) HNO(3). No redox chemicals or acid concentration changes are required. Plutonium accumulation and release is redox dependent and controlled by the applied cell potential. Large transient volumetric concentration enhancements can be achieved. Based on more negative U(IV) potentials relative to Pu(IV), separation of Pu from uranium is efficient, thereby eliminating uranium hydride interferences. EMSaEuroICPaEuroMS isotope ratio measurement performance will be presented for femtogram to attogram level plutonium isotope injections. C1 [Liezers, M.; Lehn, S. A.; Olsen, K. B.; Farmer, O. T., III; Duckworth, Douglas C.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Lehn, S. A.] Champ Technol Inc, Houston, TX 77027 USA. RP Liezers, M (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99354 USA. EM martin.liezers@pnl.gov; slehn94@verizon.net; khris.olsen@pnl.gov; tom.farmer@pnl.gov; douglas.duckworth@pnl.gov RI Duckworth, Douglas/B-7171-2015 OI Duckworth, Douglas/0000-0002-8161-5685 NR 9 TC 14 Z9 14 U1 1 U2 19 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD OCT PY 2009 VL 282 IS 1 BP 299 EP 304 DI 10.1007/s10967-009-0228-y PG 6 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 509OM UT WOS:000271027400057 ER PT J AU Liezers, M Farmer, OT Thomas, ML AF Liezers, M. Farmer, O. T., III Thomas, M. L. TI Low level detection of Cs-135 and Cs-137 in environmental samples by ICP-MS SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Isotope ratio; Cesium; Environmental; Chromatography; Gamma spectrometry; Quadrupole; ICP-MS ID PLASMA-MASS SPECTROMETRY; SAMPLER/ANALYZER AB The measurement of fission product cesium isotopes Cs-135 and Cs-137 at low femtogram (fg) 10(-15) levels in ground water by Inductively Coupled Plasma-Mass Spectrometry (ICP-MS) is reported. To eliminate the natural barium isobaric interference on the cesium isotopes, in-line chromatographic separation of the cesium from barium was performed followed by high sensitivity ICP-MS analysis. A high efficiency desolvating nebulizer system was employed to maximize ICP-MS sensitivity similar to 10 cps/fg. The three sigma detection limit for Cs-135 was 2 fg/mL (0.1 mu Bq/mL) and for Cs-137 0.9 fg/mL (0.0027 Bq/mL) measured from the standard with analysis time of less than 30 min/sample. Cesium detection and 135/137 isotope ratio measurement at very low femtogram levels using this method in a spiked ground water matrix is also demonstrated. C1 [Liezers, M.; Farmer, O. T., III; Thomas, M. L.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Liezers, M (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99354 USA. EM martin.liezers@pnl.gov; tom.farmer@pnl.gov; linda.thomas@pnl.gov NR 7 TC 21 Z9 21 U1 2 U2 11 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD OCT PY 2009 VL 282 IS 1 BP 309 EP 313 DI 10.1007/s10967-009-0227-z PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 509OM UT WOS:000271027400059 ER PT J AU Hoppe, EW Mintzer, EE Aalseth, CE Edwards, DJ Farmer, OT Fast, JE Gerlach, DC Liezers, M Miley, HS AF Hoppe, E. W. Mintzer, E. E. Aalseth, C. E. Edwards, D. J. Farmer, O. T., III Fast, J. E. Gerlach, D. C. Liezers, M. Miley, H. S. TI Microscopic evaluation of contaminants in ultra-high purity copper SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Copper; EBSD; Electrodeposition; LA-ICP-MS; SEM; SIMS; Thorium; Uranium ID ELECTROPLATED COPPER; FILMS; ELECTRODEPOSITION AB Copper is one of few elements that have no long-lived radioisotopes and which can be electrodeposited to ultra-high levels of purity. Experiments probing neutrino properties and searching for direct evidence of dark matter require ultra-clean copper, containing the smallest possible quantities of radioactive contaminants. Important to the production of such copper is establishing the location and dispersion of contamination within the bulk material. Co-deposition of contaminants during copper electrodeposition and its relationship to nucleation and growth processes were investigated using scanning electron microscopy (SEM), laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS), and secondary ionization mass spectrometry (SIMS). C1 [Hoppe, E. W.; Mintzer, E. E.; Aalseth, C. E.; Edwards, D. J.; Farmer, O. T., III; Fast, J. E.; Gerlach, D. C.; Liezers, M.; Miley, H. S.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Hoppe, EW (reprint author), Pacific NW Natl Lab, Battelle Blvd, Richland, WA 99354 USA. EM eric.hoppe@pnl.gov FU NNSA Office of Research and Engineering [NA-22]; Memorial Institute [DE-AC05-76RLO1830] FX The authors would like to acknowledge the NNSA Office of Research and Engineering (NA-22) for their support of this work and Chuck Windisch for his technical assistance. Pacific Northwest National Laboratory is managed by Battelle Memorial Institute under contract DE-AC05-76RLO1830. NR 13 TC 10 Z9 10 U1 0 U2 8 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD OCT PY 2009 VL 282 IS 1 BP 315 EP 320 DI 10.1007/s10967-009-0241-1 PG 6 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 509OM UT WOS:000271027400060 ER PT J AU Marquestaut, N Talaga, D Servant, L Yang, P Pauzauskie, P Lagugne-Labarthet, F AF Marquestaut, N. Talaga, D. Servant, L. Yang, P. Pauzauskie, P. Lagugne-Labarthet, F. TI Imaging of single GaN nanowires by tip-enhanced Raman spectroscopy SO JOURNAL OF RAMAN SPECTROSCOPY LA English DT Article DE Raman microscopy; gallium nitride; semiconductor nanowires; tip-enhanced Raman scattering ID CELLS; MICROSCOPY; SCATTERING; DNA AB Raman imaging of a single [1 (1) over bar0] GaN nanowire using a combination of an atomic force microscope (AFM) and an inverted confocal microscope was investigated. The Raman spectra and associated maps of this single object, the diameter of which was of 200 nm, were collected in both confocal mode and with the interaction of an AFM tip to benefit from local tip enhancement effect. Beyond the pure tip-enhanced Raman scattering (TERS) effect, the setup was developed to integrate a commercial AFM and spectrometer to permit simultaneous topography and vibrational imaging with spatial and spectral resolutions determined by the respective instruments. Data exchange and communication of the Raman spectrometer and the AFM were optimized to display both height and Raman intensity for a set of Z positions at the AFM tip for each (x,y) position on the sample. The experiments were conducted with both a straight tip coated with gold at an excitation of lambda = 647 nm and with a tilted tip coated with silver at an excitation wavelength of lambda = 514 nm. The TERS signal was observed for a given phonon mode of the [1 (1) over bar0] nanowire, providing an optical resolution that corresponds to the size of the object. Copyright (C) 2009 John Wiley & Sons, Ltd. C1 [Marquestaut, N.; Talaga, D.; Servant, L.; Lagugne-Labarthet, F.] Univ Bordeaux 1, Inst Mol Sci, UMR 5255, F-33405 Talence, France. [Yang, P.; Pauzauskie, P.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Yang, P.; Pauzauskie, P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Lagugne-Labarthet, F.] Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada. RP Servant, L (reprint author), Univ Bordeaux 1, Inst Mol Sci, UMR 5255, 351 Cours Liberat, F-33405 Talence, France. EM l.servant@ism.u-bordeaux1.fr; flagugne@uwo.ca RI Pauzauskie, Peter/A-1316-2014 FU NSERC; Canadian Research Chair program; CNRS; University Bordeaux 1; Conseil Regional d'Aquitaine (France) FX F.L.L. wishes to thank NSERC discovery grants (Canada) and the Canadian Research Chair program. The authors are grateful to the CNRS, the University Bordeaux 1, and the Conseil Regional d'Aquitaine (France) for financial support of the TERS equipment and a Ph.D. fellowship (N.M.). We wish to thank our industrial partners Horiba-Jobin-Yvon and Veeco instruments, involved in the software development of this project. NR 20 TC 26 Z9 27 U1 6 U2 44 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0377-0486 J9 J RAMAN SPECTROSC JI J. Raman Spectrosc. PD OCT PY 2009 VL 40 IS 10 BP 1441 EP 1445 DI 10.1002/jrs.2404 PG 5 WC Spectroscopy SC Spectroscopy GA 516AR UT WOS:000271514500018 ER PT J AU Kupiainen, M Sjogreen, B AF Kupiainen, Marco Sjoegreen, Bjoern TI A Cartesian Embedded Boundary Method for the Compressible Navier-Stokes Equations SO JOURNAL OF SCIENTIFIC COMPUTING LA English DT Article DE Embedded boundary; Compressible fluids; Navier-Stokes equations; Finite difference scheme ID HYPERBOLIC CONSERVATION-LAWS; ADVECTION-DIFFUSION EQUATION; 2ND-ORDER WAVE-EQUATION; DIFFERENCE APPROXIMATIONS; GRID METHODS; SCHEMES; GEOMETRIES; FLOWS AB We here generalize the embedded boundary method that was developed for boundary discretizations of the wave equation in second order formulation in Kreiss et al. (SIAM J. Numer. Anal. 40(5):1940-1967, 2002) and for the Euler equations of compressible fluid flow in Sjogreen and Peterson (Commun. Comput. Phys. 2:1199-1219, 2007), to the compressible Navier-Stokes equations. We describe the method and we implement it on a parallel computer. The implementation is tested for accuracy and correctness. The ability of the embedded boundary technique to resolve boundary layers is investigated by computing skin-friction profiles along the surfaces of the embedded objects. The accuracy is assessed by comparing the computed skin-friction profiles with those obtained by a body fitted discretization. C1 [Sjoegreen, Bjoern] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. [Kupiainen, Marco] Univ Paris 06, F-75252 Paris 05, France. RP Sjogreen, B (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. EM kupiainen@lmm.jussieu.fr; sjogreen2@llnl.gov FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344, LLNL-JRNL-402504] FX This work performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-JRNL-402504. NR 28 TC 6 Z9 6 U1 0 U2 0 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0885-7474 J9 J SCI COMPUT JI J. Sci. Comput. PD OCT PY 2009 VL 41 IS 1 BP 94 EP 117 DI 10.1007/s10915-009-9289-x PG 24 WC Mathematics, Applied SC Mathematics GA 490UT UT WOS:000269533300006 ER PT J AU Aldamegh, KS Abou Elenean, KM Hussein, HM Rodgers, AJ AF Aldamegh, K. S. Abou Elenean, K. M. Hussein, H. M. Rodgers, A. J. TI Source mechanisms of the June 2004 Tabuk earthquake sequence, Eastern Red Sea margin, Kingdom of Saudi Arabia SO JOURNAL OF SEISMOLOGY LA English DT Article DE Red Sea tectonics; Regional waveform inversion; Northwestern Saudi Arabia ID MOMENT TENSOR INVERSION; SOURCE PARAMETERS; VALLEY AB A sequence of earthquakes took place in June 2004 approximately 60 km southeast of Tabuk, Saudi Arabia. The first felt event (M (W) = 3.9) occurred on June 9 and caused minor damage in the epicentral area according to the National Earthquake Information Center and the local reports. Another moderate size event occurred on June 22 (M (W) = 5.1) and was followed by a few felt aftershocks without any reported damage. This earthquake sequence caused considerable alarm at Tabuk and highlights the fact that damaging earthquakes can occur in this region away from the major plate boundary in the Red Sea. Being the largest well-recorded event in the area for which the digital and broadband records from Saudi Arabia, Egypt, Israel, Jordan, Turkey, Cyprus, and Kuwait are available, it provides an excellent opportunity to study the tectonic process and present day stress field acting on this area. The digital records from these regional networks were used to relocate the largest three events of this sequence. Focal mechanisms were obtained from full waveform inversion and indicate normal faulting mechanisms with two nodal planes oriented NW-SE in parallel to the faults bounding the Tabuk graben and the Red Sea rift axis. These events originated at shallow focal depths of 4-5 km, possibly contributing to the widely felt ground motions. These events offer a unique opportunity to study the active tectonics of the region as well as inform future studies of seismic hazard in northwestern Saudi Arabia, the Gulf of Aqaba, and eastern Egypt. C1 [Abou Elenean, K. M.; Hussein, H. M.] Natl Res Inst Astron & Geophys NRIAG, Seismol Dept, Helwan, Egypt. [Aldamegh, K. S.] King Abdul Aziz City Sci & Technol KACST, Astron & Geophys Res Inst, Riyadh, Saudi Arabia. [Rodgers, A. J.] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA 94551 USA. RP Abou Elenean, KM (reprint author), Natl Res Inst Astron & Geophys NRIAG, Seismol Dept, Helwan, Egypt. EM kdamegh@kacst.edu.sa; kamal_atiya@yahoo.com; hesham6511421@yahoo.com; rodgers7@llnl.gov RI Rodgers, Arthur/E-2443-2011; GEOFON, GlobalSeismicNetwork/E-4273-2012 NR 23 TC 10 Z9 10 U1 1 U2 5 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1383-4649 J9 J SEISMOL JI J. Seismol. PD OCT PY 2009 VL 13 IS 4 BP 561 EP 576 DI 10.1007/s10950-008-9148-5 PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 475MG UT WOS:000268363100009 ER PT J AU Ni, LB Zhang, RH Liu, QX Xia, WS Wang, HX Zhou, ZH AF Ni, Lu-Bin Zhang, Rong-Hua Liu, Qiong-Xin Xia, Wen-Sheng Wang, Hongxin Zhou, Zhao-Hui TI pH- and mol-ratio dependent formation of zinc(II) coordination polymers with iminodiacetic acid: Synthesis, spectroscopic, crystal structure and thermal studies SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Zinc; Iminodiacetate; Coordination polymer; NMR; ZnO nanoparticles; Photoluminescence ID METAL-ORGANIC FRAMEWORK; MIXED-LIGAND COMPLEXES; AFFINITY-CHROMATOGRAPHY; MAGNETIC-PROPERTIES; OPTICAL-PROPERTIES; DNA CLEAVAGE; ZNO FILMS; TEMPERATURE; CARBOXYLATE; PHOTOLUMINESCENCE AB Three novel zinc coordination polymers (NH(4))(n)[Zn(Hida)Cl(2)](n) (1), [Zn(ida)(H(2)O)(2)](n) (2), [Zn(Hida)(2)](n)center dot 4n-H(2)O (3) (H(2)ida = iminodiacetic acid) and a monomeric complex [Zn(ida)(phen)(H(2)O)]center dot 2H(2)O (4) (phen = 1,10-phenanthroline) have been synthesized and characterized by X-ray diffraction methods. 1 and 2 form one-dimensional (1-D) chain structures, whereas 3 exhibits a three-dimensional (3-D) diamondoid framework with an open channel. The mononuclear complex 4 is extended into a 3-D supramolecular architecture through hydrogen bonds and pi-pi stacking. Interestingly, cyclic nonplanar tetrameric water clusters are observed that encapsulated in the 3-D lattice of 4. Based on (1)H and (13)C NMR observations, there is obvious coordination of complex 2 in solution, while I and 3 decompose into free iminodiacetate ligand. Monomer [Zn(ida)(H(2)O)(3)] (5) is considered as a possible discrete species from 2. These coordination polymers can serve as good molecular precursors for zinc oxide. (C) 2009 Elsevier Inc. All rights reserved. C1 [Ni, Lu-Bin; Zhang, Rong-Hua; Liu, Qiong-Xin; Xia, Wen-Sheng; Zhou, Zhao-Hui] Xiamen Univ, State Key Lab Phys Chem Solid Surface, Natl Engn Lab Green Chem Prod Alcohols Ethers Est, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China. [Wang, Hongxin; Zhou, Zhao-Hui] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Wang, Hongxin; Zhou, Zhao-Hui] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. RP Zhou, ZH (reprint author), Xiamen Univ, State Key Lab Phys Chem Solid Surface, Natl Engn Lab Green Chem Prod Alcohols Ethers Est, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China. EM zhzhou@xmu.edu.cn RI Zhou, ZH/G-4658-2010; SKL, PCOSS/D-4395-2013 FU Ministry of Science and Technology [2005CB221408] FX This work is supported by the Ministry of Science and Technology (2005CB221408) and the authors thank the Cramer Research Group and the NIH support of its instruments (GM65440). NR 70 TC 12 Z9 12 U1 1 U2 24 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 J9 J SOLID STATE CHEM JI J. Solid State Chem. PD OCT PY 2009 VL 182 IS 10 BP 2698 EP 2706 DI 10.1016/j.jssc.2009.06.042 PG 9 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 506BL UT WOS:000270747800017 PM 20161370 ER PT J AU Chernyak, VY Chertkov, M Malinin, SV Teodorescu, R AF Chernyak, Vladimir Y. Chertkov, Michael Malinin, Sergey V. Teodorescu, Razvan TI Non-Equilibrium Thermodynamics and Topology of Currents SO JOURNAL OF STATISTICAL PHYSICS LA English DT Article DE Non-equilibrium statistical mechanics; Topological field theory; Cramer functional; Topological current; Weak noise; Instanton; Markov chain ID MORSE-THEORY; STOCHASTIC DYNAMICS; LARGE DEVIATIONS; STEADY-STATES; 2 DIMENSIONS; FLUCTUATIONS; EQUILIBRIUM; STATISTICS; SYSTEMS; MODEL AB In many experimental situations, a physical system undergoes stochastic evolution which may be described via random maps between two compact spaces. In the current work, we study the applicability of large deviations theory to time-averaged quantities which describe such stochastic maps, in particular time-averaged currents and density functionals. We derive the large deviations principle for these quantities, as well as for global topological currents, and formulate variational, thermodynamic relations to establish large deviation properties of the topological currents. We illustrate the theory with a nontrivial example of a Heisenberg spin-chain with a topological driving of the Wess-Zumino type. The Cramer functional of the topological current is found explicitly in the instanton gas regime for the spin-chain model in the weak-noise limit. In the context of the Morse theory, we discuss a general reduction of continuous stochastic models with weak noise to effective Markov chains describing transitions between stable fixed points. C1 [Chernyak, Vladimir Y.; Chertkov, Michael; Teodorescu, Razvan] LANL, Div Theoret, Los Alamos, NM 87545 USA. [Chernyak, Vladimir Y.; Chertkov, Michael; Teodorescu, Razvan] LANL, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Chernyak, Vladimir Y.; Malinin, Sergey V.] Wayne State Univ, Dept Chem, Detroit, MI 48202 USA. RP Chertkov, M (reprint author), LANL, Div Theoret, Los Alamos, NM 87545 USA. EM chernyak@chem.wayne.edu; chertkov@lanl.gov; malinin@chem.wayne.edu; razvan@lanl.gov RI Chertkov, Michael/O-8828-2015; Chernyak, Vladimir/F-5842-2016; OI Chernyak, Vladimir/0000-0003-4389-4238; Chertkov, Michael/0000-0002-6758-515X FU National Science Foundation [CHE-0808910]; U.S. Department of Energy at Los Alamos National Laboratory [DE C52-06NA25396.] FX It is our pleasure to thank Reviewer 2 for an overwhelmingly deep, extensive, and detailed report, as well as a number of interesting and useful comments. This material is based upon work supported by the National Science Foundation under Grant No. CHE-0808910. Research at LANL was carried out under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE C52-06NA25396. NR 61 TC 17 Z9 17 U1 0 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-4715 J9 J STAT PHYS JI J. Stat. Phys. PD OCT PY 2009 VL 137 IS 1 BP 109 EP 147 DI 10.1007/s10955-009-9832-z PG 39 WC Physics, Mathematical SC Physics GA 511WD UT WOS:000271201300006 ER PT J AU Schmidt, JR Wendt, JOL Kerstein, AR AF Schmidt, John R. Wendt, Jost O. L. Kerstein, Alan R. TI Non-equilibrium Wall Deposition of Inertial Particles in Turbulent Flow SO JOURNAL OF STATISTICAL PHYSICS LA English DT Article DE Multiphase flow; Deposition; Turbulence; Stochastic model ID ONE-DIMENSIONAL TURBULENCE; BOUNDARY-LAYER; CHANNEL FLOW; DISPERSION; SIMULATIONS; FORMULATION; TRANSPORT AB Non-equilibrium effects resulting from the slow relaxation of inertial particles to statistical equilibrium with flow fluctuations in turbulence are known to have important consequences, but they are not readily incorporated into models. Here, a simple analysis of these effects predicts -2/3 power-law dependence of the particle deposition rate on Stokes number (normalized particle inertia) in the far field of a confined turbulent flow, and a weaker near-field dependence. Near-field measurements and numerical simulations exhibit this weaker dependence, as do models that are generally viewed as validated by this result, but the models fail to capture the newly identified far-field behavior due to their equilibrium assumptions. Quantification of these qualitative observations is obtained by incorporating particle response to fluid motion into 'one-dimensional turbulence' (ODT), a stochastic computational model of turbulence. C1 [Kerstein, Alan R.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Schmidt, John R.; Wendt, Jost O. L.] Univ Arizona, Dept Chem & Environm Engn, Tucson, AZ 85721 USA. RP Kerstein, AR (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM jschmidt@arl.army.mil; jost.wendt@utah.edu; arkerst@sandia.gov NR 28 TC 6 Z9 8 U1 0 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-4715 J9 J STAT PHYS JI J. Stat. Phys. PD OCT PY 2009 VL 137 IS 2 BP 233 EP 257 DI 10.1007/s10955-009-9844-8 PG 25 WC Physics, Mathematical SC Physics GA 516LK UT WOS:000271543500002 ER PT J AU Fernandez, JF Leret, P Romero, JJ de Frutos, J de la Rubia, MA Martin-Gonzalez, MS Costa-Kramer, JL Fierro, JLG Quesada, A Garcia, MA AF Francisco Fernandez, Jose Leret, Pilar Jose Romero, Juan de Frutos, Jose Angel de la Rubia, Miguel Soledad Martin-Gonzalez, Maria Luis Costa-Kraemer, Jose Garcia Fierro, Jose Luis Quesada, Adrian Angel Garcia, Miguel TI Proofs of the Coexistence of Two Magnetic Contributions in Pure and Doped CaCu3Ti4O12 Giant Dielectric Constant Ceramics SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID PERMITTIVITY AB Fe3+ - or Nb5+-doped CaCu3Ti4O12 (CCTO) ceramics show higher values of both room-temperature (RT) grain conductivity and dielectric constant than undoped ceramics. Microstructural and structural characterization combined with magnetic properties reveal the coexistence of two components that seem relevant for the dielectric behavior of the material. The grain possesses a nanostructure characterized by layered domains with thicknesses <80 nm. The formation of the layered domains is associated with the evidence of different chemical states as Cu2+/Cu+ and Ti4+/Ti3+ that are present in the material. The magnetic contribution is related to two coupled effects: the antiferromagnetic (AFM) response with T-N = 25 K ascribed to Cu2+, and a paramagnetic-like contribution attributed to Ti3+ cations. The coexistence of two coupled magnetic contributions could explain the proposed unusual coupling of the AFM Cu2+ superexchange interaction through the nonmagnetic Ti4+ rather than via the usual oxygen coupling. The lower the paramagnetic-like contribution at RT, the larger the conductivity and the dielectric constant of the material are. Below 150 K, the increase of the paramagnetic-like contribution is correlated with the low transition temperature of the CCTO. C1 [Francisco Fernandez, Jose] CSIC, Inst Ceram & Vidrio, Electroceram Dept, E-28049 Madrid, Spain. [de Frutos, Jose; Angel de la Rubia, Miguel] Univ Politecn Madrid, ETSI Telecomunicac, E-28040 Madrid, Spain. [Soledad Martin-Gonzalez, Maria; Luis Costa-Kraemer, Jose] CSIC, Inst Microelect Madrid, Madrid 28760, Spain. [Luis Costa-Kraemer, Jose] Univ Minnesota, Tate Lab Phys, Minneapolis, MN 55455 USA. [Luis Costa-Kraemer, Jose] CSIC, Inst Catalisis & Petroleoquim, E-28049 Madrid, Spain. [Quesada, Adrian] Univ Complutense Madrid, Dpto Fis Mat, Madrid 28240, Spain. [Quesada, Adrian] Univ Complutense Madrid, Inst Magnetismo Aplicado, Madrid 28240, Spain. [Quesada, Adrian] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Fernandez, JF (reprint author), CSIC, Inst Ceram & Vidrio, Electroceram Dept, Plaza Murillo 2, E-28049 Madrid, Spain. EM jfernandez@icv.csic.es RI DE FRUTOS, JOSE/J-2885-2015; Martin-Gonzalez, Marisol/E-7076-2010; Costa Kramer, Jose/A-6333-2009; Microelectronica de Madrid, Instituto de/D-5173-2013; Romero, Juan Jose/G-2541-2013; Quesada, Adrian/L-6475-2014; Fernandez, Jose/M-4402-2014; jose, fierro/C-4774-2014; Garcia, Miguel Angel/N-3043-2016 OI DE FRUTOS, JOSE/0000-0003-1582-9447; Martin-Gonzalez, Marisol/0000-0002-5687-3674; Costa Kramer, Jose/0000-0002-7664-2195; Microelectronica de Madrid, Instituto de/0000-0003-4211-9045; Romero, Juan Jose/0000-0003-0192-1904; Quesada, Adrian/0000-0002-6994-0514; Fernandez, Jose/0000-0001-5894-9866; jose, fierro/0000-0002-6880-3737; Garcia, Miguel Angel/0000-0001-9972-2182 FU CSIC; CICYT [MAT2007-66845-C02-01] FX This work was supported by the CSIC project PIF MAGIN and by CICYT project MAT2007-66845-C02-01. NR 37 TC 16 Z9 16 U1 4 U2 13 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD OCT PY 2009 VL 92 IS 10 BP 2311 EP 2318 DI 10.1111/j.1551-2916.2009.03224.x PG 8 WC Materials Science, Ceramics SC Materials Science GA 499AJ UT WOS:000270188300023 ER PT J AU Crum, JV Riley, BJ Vienna, JD AF Crum, Jarrod V. Riley, Brian J. Vienna, John D. TI Binary Phase Diagram of the Manganese Oxide-Iron Oxide System SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article AB The phase equilibrium of the MnO(x)-FeO(y) binary system was measured within a temperature range of 750 degrees-1590 degrees C in air to examine inconsistencies found in literature, i.e., discrepancies related to the boundary between the spinel and hausmannite+spinel phase fields. Several studies are available in the literature that describe this boundary however the results and methods by which they were studied vary namely in terms of the atmosphere (air versus reducing) used and heat treatment/analysis methods. In addition, samples in the discrepancy region of the diagram revert to the hausmannite phase spontaneously upon cooling due to a displacive transformation. In order to accurately measure the phase boundaries, the following measurement methods were used: isothermal heat treatments followed by rapid quenching (in air or water), dilatometry, differential thermal analysis with thermogravimetric analysis, as well as room temperature and hot-stage X-ray diffraction (XRD). Phase assemblage(s) in each specimen were determined by XRD. Data were compared with literature and a new, self consistent phase diagram was developed. The results are reported along with background information and a comparison with previously reported data. This study will support development of a model for thermodynamic equilibria in complex, multioxide silicate melts. C1 [Crum, Jarrod V.; Riley, Brian J.; Vienna, John D.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Crum, JV (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM jarrod.crum@pnl.gov OI Riley, Brian/0000-0002-7745-6730 FU Pacific Northwest National Laboratory is operated for the U. S. Department of Energy by Battelle [DE-AC05-76RL01830] FX A portion of the research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory. Pacific Northwest National Laboratory is operated for the U. S. Department of Energy by Battelle under Contract DE-AC05-76RL01830. NR 9 TC 19 Z9 19 U1 1 U2 10 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD OCT PY 2009 VL 92 IS 10 BP 2378 EP 2384 DI 10.1111/j.1551-2916.2009.03230.x PG 7 WC Materials Science, Ceramics SC Materials Science GA 499AJ UT WOS:000270188300033 ER PT J AU Molesworth, S Leavitt, CM Groenewold, GS Oomens, J Steill, JD van Stipdonk, M AF Molesworth, Samuel Leavitt, Christopher M. Groenewold, Gary S. Oomens, Jos Steill, Jeffrey D. van Stipdonk, Michael TI Spectroscopic Evidence for Mobilization of Amide Position Protons During CID of Model Peptide Ions SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article ID COLLISION-INDUCED DISSOCIATION; TANDEM MASS-SPECTROMETRY; GAS-PHASE; FRAGMENTATION PATHWAYS; INFRARED-SPECTROSCOPY; AMINO-ACIDS; SPECTRA; MOBILITY; B(2); BOND AB Infrared multiple photon dissociation (IRMPD) spectroscopy was used to study formation of b(2)(+) from nicotinyl-glycine-glycine-methyl ester (NicGGOMe). IRMPD shows that NicGGOMe is protonated at the pyridine ring of the nicotinyl group, and more importantly, that b(2)(+) from NicGGOMe is not protonated at the oxazolone ring, as would be expected if the species were generated on the conventional b(n)(+)/y(n)(+) oxazolone pathway, but at the pyridine ring instead. IRMPD data support a hypothesis that formation of b(2)(+) from NicGGOMe involves mobilization and transfer of an amide position proton during the fragmentation reaction. (J Am Soc Mass Spectrom 2009, 20, 1841-1845) (C) 2009 Published by Elsevier Inc. on behalf of American Society for Mass Spectrometry C1 [Molesworth, Samuel; Leavitt, Christopher M.; van Stipdonk, Michael] Wichita State Univ, Dept Chem, Wichita, KS 67260 USA. [Groenewold, Gary S.] Idaho Natl Lab, Chem Sci Grp, Idaho Falls, ID USA. [Oomens, Jos; Steill, Jeffrey D.] Inst Plasma Phys Rijnhuizen, FOM, Nieuwegein, Netherlands. RP van Stipdonk, M (reprint author), Wichita State Univ, Dept Chem, Wichita, KS 67260 USA. EM mike.vanstipdonk@wichita.edu RI Oomens, Jos/F-9691-2015 FU National Science Foundation [CAREER-0239800]; Hospira, Inc; NSF [EIA-0216178, EPS-0236913]; State of Kansas; HIPECC; Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) FX M.V.S., S.M. and C.M.L. acknowledge support by the National Science Foundation (CAREER-0239800). S.M. also acknowledges financial support for his graduate work by Hospira, Inc. DFT calculations were performed at Wichita State University using resources of the High-performance Computing Center (HIPECC), a facility supported by the NSF under grants EIA-0216178 and EPS-0236913 and matching support from the State of Kansas and HIPECC. J.O. and J.D.S. acknowledge support by the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO). The excellent support by Dr. B. Redlich and others of the FELIX staff is gratefully acknowledged. NR 37 TC 13 Z9 13 U1 1 U2 9 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-0305 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD OCT PY 2009 VL 20 IS 10 BP 1841 EP 1845 DI 10.1016/j.jasms.2009.06.007 PG 5 WC Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Chemistry; Spectroscopy GA 509RY UT WOS:000271037300008 PM 19648027 ER PT J AU Lee, YJ AF Lee, Young Jin TI Probability-Based Shotgun Cross-Linking Sites Analysis SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article ID MASS-SPECTROMETRY; PROTEIN STRUCTURES; PEPTIDES AB We recently developed a shotgun tool for cross-linking sites analysis, X!Link, for the sensitive and high-throughput analysis of chemically cross-linked proteins or multiprotein complexes U. Proteome Res. 2007, 6, 3908-3917). Here, we report a further development of the tool using a probability-based scoring system. It calculates explicit E-values, with which sensitive detection of the cross-links is possible with very low false positives, and now can be applied to moderate numbers of protein sequences. Most of the false positives in large scale analysis originate from partial matching where one side of the peptides is correctly matched while the other side is incorrectly matched. Additional E-values were calculated for each peptide and effectively minimized false positives from such partial matching. The usefulness of the new scoring system was demonstrated for a previously published dataset from a cross-linked cytochrome c protein, searching against a large database of equine protein sequences. (J Am Soc Mass Spectrom 2009, 20, 1896-1899) (C) 2009 American Society for Mass Spectrometry C1 [Lee, Young Jin] Iowa State Univ, Ames Lab, USDOE, Ames, IA 50011 USA. [Lee, Young Jin] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Lee, YJ (reprint author), Iowa State Univ, Ames Lab, USDOE, Ames, IA 50011 USA. EM yjlee@iastate.edu RI Lee, Young Jin/F-2317-2011 OI Lee, Young Jin/0000-0002-2533-5371 FU Iowa State University [DE-AC02-07CH11358]; Ames Laboratory-USDOE FX The author acknowledges partial supports for this work by grants from Iowa State University and Ames Laboratory-USDOE. The Ames Laboratory is operated for the United States Department of Energy by Iowa State University under contract no. DE-AC02-07CH11358. NR 10 TC 6 Z9 7 U1 2 U2 7 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-0305 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD OCT PY 2009 VL 20 IS 10 BP 1896 EP 1899 DI 10.1016/j.jasms.2009.06.020 PG 4 WC Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Chemistry; Spectroscopy GA 509RY UT WOS:000271037300015 PM 19665904 ER PT J AU Robinett, RD Wilson, DG AF Robinett, Rush D., III Wilson, David G. TI Nonlinear Slewing Spacecraft Control Based on Exergy, Power Flow, and Static and Dynamic Stability SO JOURNAL OF THE ASTRONAUTICAL SCIENCES LA English DT Article ID LARGE-ANGLE MANEUVERS; ATTITUDE-CONTROL PROBLEM; SLIDING MODE CONTROL; QUATERNION FEEDBACK; MECHANICAL SYSTEMS; RIGID SPACECRAFT; STABILIZATION; TRACKING AB This paper presents a new nonlinear control methodology for slewing spacecraft, which provides both necessary and sufficient conditions for stability by identifying the stability boundaries, rigid body modes, and limit cycles. Conservative Hamiltonian system concepts, which are equivalent to static stability of airplanes, are used to find and deal with the static stability boundaries: rigid body modes. The application of exergy and entropy thermodynamic concepts to the work-rate principle provides a natural partitioning through the second law of thermodynamics of power flows into exergy generator, dissipator, and storage for Hamiltonian systems that is employed to find the dynamic stability boundaries: limit cycles. This partitioning process enables the control system designer to directly evaluate and enhance the stability and performance of the system by balancing the power flowing into versus the power dissipated within the system subject to the Hamiltonian surface (power storage). Relationships are developed between exergy, power flow, static and dynamic stability, and Lyapunov analysis. The methodology is demonstrated with two illustrative examples: (1) a nonlinear oscillator with sinusoidal damping and (2) a multi-input-multi-output three-axis slewing spacecraft that employs proportional-integral-derivative tracking control with numerical simulation results. C1 [Robinett, Rush D., III] Sandia Natl Labs, Energy & Infrastruct Grp, Albuquerque, NM 87185 USA. RP Robinett, RD (reprint author), Sandia Natl Labs, Energy & Infrastruct Grp, MS 1104,POB 5800, Albuquerque, NM 87185 USA. EM rdrobin@sandia.gov; dwilso@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 43 TC 0 Z9 0 U1 0 U2 2 PU AMER ASTRONAUTICAL SOC PI SPRINGFIELD PA 6352 ROLLING MILL PLACE SUITE 102, SPRINGFIELD, VA 22152 USA SN 0021-9142 EI 2195-0571 J9 J ASTRONAUT SCI JI J. Astronaut. Sci. PD OCT-DEC PY 2009 VL 57 IS 4 BP 717 EP 741 PG 25 WC Engineering, Aerospace SC Engineering GA V19JU UT WOS:000208069500003 ER PT J AU Ardavan, H Ardavan, A Singleton, J Fasel, J Schmidt, A AF Ardavan, Houshang Ardavan, Arzhang Singleton, John Fasel, Joseph Schmidt, Andrea TI Fundamental role of the retarded potential in the electrodynamics of superluminal sources: reply to comment SO JOURNAL OF THE OPTICAL SOCIETY OF AMERICA A-OPTICS IMAGE SCIENCE AND VISION LA English DT Article AB Neither Eq. (6.52) of Jackson [Classical Electrodynamics, 3rd ed. (Wiley, 1999)] nor Hannay's derivation of that equation in the preceding Comment [J. Opt. Soc. Am. A 26, 2107 (2009)] is applicable to a source whose distribution pattern moves faster than light in vacuo with nonzero acceleration. It is assumed in Hannay's derivation that the retarded distribution of the density of any moving source will be smooth and differentiable if its rest-frame distribution is. By working out an explicit example of a rotating superluminal source with a bounded and smooth density profile, we show that this assumption is erroneous. The retarded distribution of a rotating source with a moderate superluminal speed is, in general, spread over three disjoint volumes (differing in shape from one another and from the volume occupied by the source in its rest frame) whose boundaries depend on the space-time position of the observer. Hannay overlooks the fact that the limits of integration in his expression for the retarded potential are not differentiable, as functions of the coordinates of the observer, when the distribution pattern of the source moves faster than light. These limits, which delineate the boundaries of the retarded distribution of the source, have divergent gradients at those points on the source boundary that approach the observer, along the radiation direction, with the speed of light at the retarded time. In the superluminal regime, derivatives of the integral representing the retarded potential are well defined only as generalized functions. (C) 2009 Optical Society of America C1 [Singleton, John] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Ardavan, Houshang] Univ Cambridge, Inst Astron, Cambridge CB3 0HA, England. [Ardavan, Arzhang] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. RP Singleton, J (reprint author), Los Alamos Natl Lab, Natl High Magnet Field Lab, MS-E536, Los Alamos, NM 87545 USA. EM jsingle@lanl.gov OI Schmidt, Andrea/0000-0002-5017-1030 FU Royal Society; U. S. Department of Energy [LDRD 20080085DR] FX A. Ardavan is supported by the Royal Society. J. Singlaton, J. Fasel, and A. Schmidt are supported by U. S. Department of Energy grant LDRD 20080085DR, "Construction and use of superluminal emission technology demonstrators with applications in radar, astrophysics and secure communications." NR 9 TC 0 Z9 0 U1 0 U2 1 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1084-7529 J9 J OPT SOC AM A JI J. Opt. Soc. Am. A-Opt. Image Sci. Vis. PD OCT PY 2009 VL 26 IS 10 BP 2109 EP 2113 PG 5 WC Optics SC Optics GA 501JR UT WOS:000270378300002 ER PT J AU Kanetake, F Harada, A Mukuda, H Kitaoka, Y Rachi, T Tanigaki, K Itoh, KM Haller, EE AF Kanetake, Fumiya Harada, Atsushi Mukuda, Hidekazu Kitaoka, Yoshio Rachi, Takeshi Tanigaki, Katsumi Itoh, Kohei M. Haller, Eugene E. TI Ge-73- and Ba-135/137-NMR Studies of Clathrate Superconductor Ba24Ge100 SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article DE clathrate; Ba6Ge25; superconductivity; rattling; NMR; pressure ID BA6GE25 AB We report on the normal-state properties of a superconducting type-III clathrate compound Ba24Ge100 investigated by Ge-73-NMR at cage sites and by Ba-135/137-NMR at guest sites at ambient pressure (P = 0) and 2.7 GPa. The measurements of the nuclear spin-lattice relaxation rate 1/T-1 have revealed a significant increase in 1/T1T of approximately 200 K at P = 0, which may be relevant to the rattling motion of Ba atoms in Ge cages. This increase in 1/T1T at high temperatures is markedly suppressed at P = 2.7 GPa. As a result of the suppression of the successive structural transformations, the 1/T1T = const. in a low-temperature regime is increased, proving the increase in the density of states at the Fermi level, N(E-F), at P. It is this increase in N(E-F) that increases the superconducting transition temperature T-c from 0.24 K at P = 0 to 3.8 K at P similar to 2.7 GPa. C1 [Kanetake, Fumiya; Harada, Atsushi; Mukuda, Hidekazu; Kitaoka, Yoshio] Osaka Univ, Grad Sch Engn Sci, Osaka 5608531, Japan. [Rachi, Takeshi; Tanigaki, Katsumi] Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan. [Itoh, Kohei M.] Keio Univ, Dept Appl Phys & Physicoinformat, Yokohama, Kanagawa 2238522, Japan. [Haller, Eugene E.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Haller, Eugene E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Kanetake, F (reprint author), Osaka Univ, Grad Sch Engn Sci, Osaka 5608531, Japan. EM kanetake@nmr.mp.es.osaka-u.ac.jp RI Tanigaki, Katsumi/A-4853-2010; Itoh, Kohei/C-5738-2014 OI Tanigaki, Katsumi/0000-0003-1538-6527; FU Grant-in-Aid for Specially Promoted Research [20001004]; Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan FX We would like to thank H. Nagara, K. Kusakabe, and K. Ishida for valuable comments. This work was supported by a Grant-in-Aid for Specially Promoted Research (20001004) and by the Global COE Program (Core Research and Engineering of Advanced Materials-Interdisciplinary Education Center for Materials Science) from the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan. NR 19 TC 4 Z9 4 U1 0 U2 9 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD OCT PY 2009 VL 78 IS 10 AR 104710 DI 10.1143/JPSJ.78.104710 PG 5 WC Physics, Multidisciplinary SC Physics GA 511YT UT WOS:000271208500028 ER PT J AU Collins, B Fore, S AF Collins, Beverly Fore, Stephanie TI Potential role of pollinators in microhabitat structure within a large population of Echinacea laevigata (Asteraceae) SO JOURNAL OF THE TORREY BOTANICAL SOCIETY LA English DT Article DE endangered species; microhabitat; pollinator activity; smooth purple coneflower ID SPATIAL GENETIC-STRUCTURE; PLANT CONSERVATION; DIVERSITY; POLLEN; CONSEQUENCES; BEHAVIOR; LIMITATION; SELECTION; SUCCESS; ORCHID AB COLLINS, B. (Savannah River Ecology Laboratory, Aiken, SC 29802) AND S. FORE (Department of Biology, Truman State University, Kirksville, MO 63501). Potential role of pollinators in microhabitat structure within a large population of Echinacea laevigata (Asteraceae). J. Torrey Bot. Sec. 136: 445-456. 2009-Understanding the linkages among Population spatial, demographic, and genetic structure is a priority for threatened or endangered species, particularly when the physical or biotic landscape influences key Processes Such as pollinator behavior or plant establishment, growth, and flowering. We investigated spatial, demographic, and genetic Structure, and followed activity of insect visitors within a large population of a federally endangered herb, Echinacea laevigata (C. L. Boynton & Beadle) S. F.Blake, distributed among microhabitats from an open powerline right-of-way across a narrow dirt road and into adjacent forest. Population and genetic structure differed among the microhabitats, but these differences were not due to clonal growth. Most genetic variation was within rather than among microhabitats. Plants differed in size (number of leaves) and the percentage of flowering plants among microhabitats, with smaller plants and lower flowering in the edge, larger plants and intermediate flowering in the forest and powerline, and smaller plants, but higher flowering, along the open road. Observations of insect visitors Suggest activity of potential pollinators can interact with demographic structure contribute to, or reinforce, genetic structure in the Population. Collectively, results of this research indicate that microhabitat effects on Population structure and pollinator activity should be considered in species management plans for E. laevigata. C1 [Collins, Beverly] Savannah River Ecol Lab, Aiken, SC 29802 USA. [Fore, Stephanie] Truman State Univ, Dept Biol, Kirksville, MO 63501 USA. RP Collins, B (reprint author), Western Carolina Univ, Dept Biol, Cullowhee, NC 28723 USA. EM collinsb@email.wcu.edu FU Financial Assistance Award between the U.S. Department of Energy and the University of Georgia [DE-FC09-96SR18546]; National Science Foundation [DBI-0139572] FX This research was supported by Financial Assistance Award Number DE-FC09-96SR18546 between the U.S. Department of Energy and the University of Georgia. National Science Foundation Grant #DBI-0139572 supported undergraduate research on coneflower pollination. We thank Amy Hudnor, Stephanie Guisti, Adrienne DeBiase, and the many other people who helped sample the Smooth purple coneflower Populations. NR 42 TC 1 Z9 2 U1 2 U2 15 PU TORREY BOTANICAL SOC PI LAWRENCE PA 810 E 10TH ST, LAWRENCE, KS 66044 USA SN 1095-5674 J9 J TORREY BOT SOC JI J. Torrey Bot. Soc. PD OCT-DEC PY 2009 VL 136 IS 4 BP 445 EP 456 DI 10.3159/09-RA-030.1 PG 12 WC Plant Sciences SC Plant Sciences GA 557BD UT WOS:000274641600003 ER PT J AU Blackwell, B Dowding, K Modest, M AF Blackwell, Ben Dowding, Kevin Modest, Michael TI Cylindrical Geometry Verification Problem for Enclosure Radiation SO JOURNAL OF THERMOPHYSICS AND HEAT TRANSFER LA English DT Article AB The development of a manufactured solution for enclosure radiation in an infinitely long circular cylinder with a nonparticipating medium is presented. This solution is then used to verify the correct implementation of the commonly used discrete enclosure equations. The circular cross section is approximated by a faceted geometry; the numbers of facets used are 4, 8, 16, 32, 64, and 128. The crossed-string method, which is exact in this application, is used to compute the view factors. Computational results using six levels of grid refinement suggest that the error norm between the integral equation solution and the discrete equation solution behaves as h(2) where h is a characteristic mesh size. C1 [Blackwell, Ben] Blackwell Consulting, Corrales, NM 87048 USA. [Dowding, Kevin] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Modest, Michael] Penn State Univ, University Pk, PA 16802 USA. RP Blackwell, B (reprint author), Blackwell Consulting, Post Off Box 2879, Corrales, NM 87048 USA. RI Modest, Michael/F-7679-2010 FU Sandia National Laboratories; Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration [DE-AC0494-AL85000] FX This work was supported by Sandia National Laboratories, a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC0494-AL85000. The authors acknowledge discussions with Ron Dykhuizen of Sandia National Laboratories that improved the clarity of the paper. NR 7 TC 1 Z9 1 U1 0 U2 1 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0887-8722 J9 J THERMOPHYS HEAT TR JI J. Thermophys. Heat Transf. PD OCT-DEC PY 2009 VL 23 IS 4 BP 711 EP 715 DI 10.2514/1.39861 PG 5 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 509GD UT WOS:000271002100008 ER EF