FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Kondo, K Yamamoto, T Sekine, M Okamura, M AF Kondo, K. Yamamoto, T. Sekine, M. Okamura, M. TI Laser ion source with solenoid for Brookhaven National Laboratory-electron beam ion source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID BREAKDOWN AB The electron beam ion source (EBIS) preinjector at Brookhaven National Laboratory (BNL) is a new heavy ion-preinjector for relativistic heavy ion collider (RHIC) and NASA Space Radiation Laboratory (NSRL). Laser ion source (LIS) is a primary ion source provider for the BNL-EBIS. LIS with solenoid at the plasma drift section can realize the low peak current (similar to 400 mu A) with high charge (similar to 10 nC) which is the BNL-EBIS requirement. The gap between two solenoids does not cause serious plasma current decay, which helps us to make up the BNL-EBIS beamline. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3675388] C1 [Kondo, K.; Okamura, M.] Brookhaven Natl Lab, Collider Accelerator Dept, New York, NY USA. [Yamamoto, T.] Waseda Univ, Tokyo, Japan. [Sekine, M.] Tokyo Inst Technol, Dept Nucl Engn, Tokyo 152, Japan. RP Kondo, K (reprint author), Brookhaven Natl Lab, Collider Accelerator Dept, New York, NY USA. EM kkondo@bnl.gov NR 7 TC 4 Z9 4 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02B319 DI 10.1063/1.3675388 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100153 PM 22380298 ER PT J AU Kondrashev, S Dickerson, C Levand, A Ostroumov, PN Pardo, RC Savard, G Vondrasek, R Alessi, J Beebe, E Pikin, A Kuznetsov, GI Batazova, MA AF Kondrashev, S. Dickerson, C. Levand, A. Ostroumov, P. N. Pardo, R. C. Savard, G. Vondrasek, R. Alessi, J. Beebe, E. Pikin, A. Kuznetsov, G. I. Batazova, M. A. TI Development of electron beam ion source charge breeder for rare isotopes at Californium Rare Isotope Breeder Upgrade SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB Recently, the Californium Rare Isotope Breeder Upgrade (CARIBU) to the Argonne Tandem Linac Accelerator System (ATLAS) was commissioned and became available for production of rare isotopes. Currently, an electron cyclotron resonance ion source is used as a charge breeder for CARIBU beams. To further increase the intensity and improve the purity of neutron-rich ion beams accelerated by ATLAS, we are developing a high-efficiency charge breeder for CARIBU based on an electron beam ion source (EBIS). The CARIBU EBIS charge breeder will utilize the state-of-the-art EBIS technology recently developed at Brookhaven National Laboratory (BNL). The electron beam current density in the CARIBU EBIS trap will be significantly higher than that in existing operational charge-state breeders based on the EBIS concept. The design of the CARIBU EBIS charge breeder is nearly complete. Long-lead components of the EBIS such as a 6-T superconducting solenoid and an electron gun have been ordered with the delivery schedule in the fall of 2011. Measurements of expected breeding efficiency using the BNL Test EBIS have been performed using a Cs+ surface ionization ion source for external injection in pulsed mode. In these experiments we have achieved similar to 70% injection/extraction efficiency and breeding efficiency into the most abundant charge state of similar to 17%. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3660823] C1 [Kondrashev, S.; Dickerson, C.; Levand, A.; Ostroumov, P. N.; Pardo, R. C.; Savard, G.; Vondrasek, R.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Alessi, J.; Beebe, E.; Pikin, A.] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. [Kuznetsov, G. I.; Batazova, M. A.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. RP Kondrashev, S (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM kondrashev@anl.gov OI Pardo, Richard/0000-0002-8264-9430 NR 10 TC 5 Z9 5 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A902 DI 10.1063/1.3660823 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100098 PM 22380243 ER PT J AU Lettry, J Alessi, J Faircloth, D Gerardin, A Kalvas, T Pereira, H Sgobba, S AF Lettry, J. Alessi, J. Faircloth, D. Gerardin, A. Kalvas, T. Pereira, H. Sgobba, S. TI Investigation of ISIS and Brookhaven National Laboratory ion source electrodes after extended operation SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB Linac4 accelerator of Centre Europeen de Recherches Nucleaires is under construction and a RF-driven H- ion source is being developed. The beam current requirement for Linac4 is very challenging: 80 mA must be provided. Cesiated plasma discharge ion sources such as Penning or magnetron sources are also potential candidates. Accelerator ion sources must achieve typical reliability figures of 95% and above. Investigating and understanding the underlying mechanisms involved with source failure or ageing is critical when selecting the ion source technology. Plasma discharge driven surface ion sources rely on molybdenum cathodes. Deformation of the cathode surfaces is visible after extended operation periods. A metallurgical investigation of an ISIS ion source is presented. The origin of the deformation is twofold: Molybdenum sputtering by cesium ions digs few tenths of mm cavities while a growth of molybdenum is observed in the immediate vicinity. The molybdenum growth under hydrogen atmosphere is hard and loosely bound to the bulk. It is, therefore, likely to peel off and be transported within the plasma volume. The observation of the cathode, anode, and extraction electrodes of the magnetron source operated at BNL for two years are presented. A beam simulation of H-, electrons, and Cs- ions was performed with the IBSimu code package to qualitatively explain the observations. This paper describes the operation conditions of the ion sources and discusses the metallurgical analysis and beam simulation results. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3680078] C1 [Lettry, J.; Gerardin, A.; Pereira, H.; Sgobba, S.] CERN, CH-1211 Geneva 23, Switzerland. [Alessi, J.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Faircloth, D.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Kalvas, T.] Univ Jyvaskyla, FI-40014 Jyvaskyla, Finland. RP Lettry, J (reprint author), CERN, CH-1211 Geneva 23, Switzerland. EM Jacques.Lettry@cern.ch NR 4 TC 3 Z9 3 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A728 DI 10.1063/1.3680078 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100092 PM 22380237 ER PT J AU Liu, Y Gottwald, T Havener, CC Howe, JY Kiggans, J Mattolat, C Vane, CR Wendt, K Beene, JR AF Liu, Y. Gottwald, T. Havener, C. C. Howe, J. Y. Kiggans, J. Mattolat, C. Vane, C. R. Wendt, K. Beene, J. R. TI Laser ion source development at Holifield Radioactive Ion Beam Facility SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID SPECTROSCOPY; TESTS; HRIBF; NI; GE AB This report describes the efforts made to develop a resonant-ionization laser ion source based on tunable Ti:sapphire lasers for nuclear physics and astrophysics research at Holifield Radioactive Ion Beam Facility. Three Ti:sapphire lasers have been upgraded with individual pump lasers to eliminate laser power losses due to synchronization delays. Ionization schemes for 14 elements have been obtained. Off-line studies show that the overall efficiency of the laser ion source can be as high as 40%. TaC surface coatings have been investigated for minimizing surface and bulk trapping of the atoms of interest. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3662476] C1 [Liu, Y.; Havener, C. C.; Beene, J. R.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Gottwald, T.; Mattolat, C.; Vane, C. R.; Wendt, K.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Howe, J. Y.; Kiggans, J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Liu, Y (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM liuy@ornl.gov RI Wendt, Klaus/D-7306-2011; kiggans, james/E-1588-2017 OI Wendt, Klaus/0000-0002-9033-9336; kiggans, james/0000-0001-5056-665X NR 10 TC 3 Z9 3 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A904 DI 10.1063/1.3662476 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100100 PM 22380245 ER PT J AU Liu, Y Andersson, P Beene, JR Forstner, O Galindo-Uribarri, A Gottwald, T Hanstorp, D Havener, CC Lindahl, AO Wendt, K AF Liu, Y. Andersson, P. Beene, J. R. Forstner, O. Galindo-Uribarri, A. Gottwald, T. Hanstorp, D. Havener, C. C. Lindahl, A. O. Wendt, K. TI Beam purification by photodetachment (invited) SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID NEGATIVE-ION BEAMS; MASS-SPECTROMETRY; SUPPRESSION; COOLER AB Ion beam purity is of crucial importance to many basic and applied studies in nuclear science. Selective photodetachment has been proposed to suppress unwanted species in negative ion beams while preserving the intensity of the species of interest. A highly efficient technique based on photodetachment in a gas-filled radio frequency quadrupole ion cooler has been demonstrated. In off-line experiments with stable ions, up to 10(4) times suppression of the isobar contaminants in a number of interesting radioactive negative ion beams has been demonstrated. For selected species, this technique promises new experimental possibilities in studies on exotic nuclei, accelerator mass spectrometry, and fundamental properties of negative atomic and molecular ions. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3671747] C1 [Liu, Y.; Beene, J. R.; Galindo-Uribarri, A.; Havener, C. C.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Andersson, P.; Forstner, O.] Univ Vienna, Fak Phys, Vera Lab, AT-1090 Vienna, Austria. [Gottwald, T.; Wendt, K.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Hanstorp, D.; Lindahl, A. O.] Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden. RP Liu, Y (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM liuy@ornl.gov RI Lindahl, Anton/A-5366-2011; Wendt, Klaus/D-7306-2011 OI Lindahl, Anton/0000-0001-6569-2800; Wendt, Klaus/0000-0002-9033-9336 NR 17 TC 0 Z9 0 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A711 DI 10.1063/1.3671747 PN 2 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100075 PM 22380220 ER PT J AU Lyneis, C Ferracin, P Caspi, S Hodgkinson, A Sabbi, GL AF Lyneis, C. Ferracin, P. Caspi, S. Hodgkinson, A. Sabbi, G. L. TI Concept for a fourth generation electron cyclotron resonance ion source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID MAGNETS AB A fourth generation electron cyclotron resonance ion source with an operating frequency between 40 and 56 GHz has the potential to quadruple the heavy-ion beam currents and provide a cost effective upgrade path for heavy ion drivers in use or in the planning stage at radioactive beam facilities. Design studies show it is feasible to produce the required magnetic fields in the plasma chamber, 7 T axially and 4 T in the radial direction with a magnetic structure using commercially available Nb3Sn superconducting materials. In this paper we describe the design of such a magnet structure including a 3D analysis of the Lorentz forces generated by the magnetic fields and the necessary clamping structure to stabilize the conductor against these forces. (C) 2012 American Institute of Physics. [doi:10.1063/1.3655527] C1 [Lyneis, C.; Ferracin, P.; Caspi, S.; Hodgkinson, A.; Sabbi, G. L.] Lawrence Berkeley Natl Lab, Berkeley, CA 94708 USA. RP Lyneis, C (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94708 USA. EM cmlyneis@lbl.gov NR 13 TC 7 Z9 7 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A301 DI 10.1063/1.3655527 PN 2 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100003 PM 22380148 ER PT J AU Nikolaev, AG Oks, EM Savkin, KP Yushkov, GY Brown, IG AF Nikolaev, A. G. Oks, E. M. Savkin, K. P. Yushkov, G. Yu. Brown, I. G. TI Upgraded vacuum arc ion source for metal ion implantation SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB Vacuum arc ion sources have been made and used by a large number of research groups around the world over the past twenty years. The first generation of vacuum arc ion sources (dubbed "Mevva," for metal vapor vacuum arc) was developed at Lawrence Berkeley National Laboratory in the 1980s. This paper considers the design, performance parameters, and some applications of a new modified version of this kind of source which we have called Mevva-V.Ru. The source produces broad beams of metal ions at an extraction voltage of up to 60 kV and a time-averaged ion beam current in the milliampere range. Here, we describe the Mevva-V.Ru vacuum arc ion source that we have developed at Tomsk and summarize its beam characteristics along with some of the applications to which we have put it. We also describe the source performance using compound cathodes. (C) 2012 American Institute of Physics. [doi:10.1063/1.3655529] C1 [Nikolaev, A. G.; Oks, E. M.; Savkin, K. P.; Yushkov, G. Yu.] Russian Acad Sci, Inst High Current Elect, Siberian Div, Tomsk 634055, Russia. [Brown, I. G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Nikolaev, AG (reprint author), Russian Acad Sci, Inst High Current Elect, Siberian Div, Tomsk 634055, Russia. EM nik@opee.hcei.tsc.ru RI Oks, Efim/A-9409-2014; Yushkov, Georgy/O-8024-2015; Nikolaev, Alexey/R-2154-2016 OI Oks, Efim/0000-0002-9323-0686; Yushkov, Georgy/0000-0002-7615-6058; Nikolaev, Alexey/0000-0003-2724-3697 NR 8 TC 13 Z9 14 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A501 DI 10.1063/1.3655529 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100052 PM 22380197 ER PT J AU Okamura, M Kondo, K Allouche, GG Yamamoto, T AF Okamura, M. Kondo, K. Allouche, G. Gish Yamamoto, T. TI Laser ion source with a double pulse laser system SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB To extend an ion beam pulse of a laser ion source, multiple laser shots could be used. To check the feasibility of this idea, we tested double laser irradiations on an iron target. When the interval of the two laser shots is longer than 10 mu s, the obtained ion current profile was expressed as a sum of two individual expanded laser plasmas. However, if the interval is too close, a current reduction was observed. This technique can be effectively applied to low charge state ion production. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3670595] C1 [Okamura, M.; Kondo, K.] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. [Allouche, G. Gish] Bryn Mawr Coll, Bryn Mawr, PA 19010 USA. [Yamamoto, T.] Waseda Univ, Shinjuku Ku, Tokyo 1698555, Japan. RP Okamura, M (reprint author), Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. EM okamura@bnl.gov NR 4 TC 1 Z9 2 U1 3 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02B308 DI 10.1063/1.3670595 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100142 PM 22380287 ER PT J AU Persaud, A Waldmann, O Kapadia, R Takei, K Javey, A Schenkel, T AF Persaud, Arun Waldmann, Ole Kapadia, Rehan Takei, Kuniharu Javey, Ali Schenkel, Thomas TI A compact neutron generator using a field ionization source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID EMISSION PROPERTIES; CARBON NANOTUBES AB Field ionization as a means to create ions for compact and rugged neutron sources is pursued. Arrays of carbon nano-fibers promise the high field-enhancement factors required for efficient field ionization. We report on the fabrication of arrays of field emitters with a density up to 10(6) tips/cm(2) and measure their performance characteristics using electron field emission. The critical issue of uniformity is discussed, as are efforts towards coating the nano-fibers to enhance their lifetime and surface properties. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3672437] C1 [Persaud, Arun; Waldmann, Ole; Schenkel, Thomas] EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kapadia, Rehan; Takei, Kuniharu; Javey, Ali] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. RP Persaud, A (reprint author), EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM APersaud@lbl.gov RI Kapadia, Rehan/B-4100-2013; Javey, Ali/B-4818-2013 OI Kapadia, Rehan/0000-0002-7611-0551; NR 10 TC 8 Z9 8 U1 3 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02B312 DI 10.1063/1.3672437 PN 2 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100146 PM 22380291 ER PT J AU Pikin, A Alessi, J Beebe, E Kponou, A Okamura, M Raparia, D Ritter, J Tan, Y Kuznetsov, G AF Pikin, A. Alessi, J. Beebe, E. Kponou, A. Okamura, M. Raparia, D. Ritter, J. Tan, Y. Kuznetsov, G. TI Ion optics of RHIC electron beam ion source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB RHIC electron beam ion source has been commissioned to operate as a versatile ion source on RHIC injection facility supplying ion species from He to Au for Booster. Except for light gaseous elements RHIC EBIS employs ion injection from several external primary ion sources. With electrostatic optics fast switching from one ion species to another can be done on a pulse to pulse mode. The design of an ion optical structure and the results of simulations for different ion species are presented. In the choice of optical elements special attention was paid to spherical aberrations for high-current space charge dominated ion beams. The combination of a gridded lens and a magnet lens in LEBT provides flexibility of optical control for a wide range of ion species to satisfy acceptance parameters of RFQ. The results of ion transmission measurements are presented. (C) 2012 American Institute of Physics. [doi :10.1063/1.3666915] C1 [Pikin, A.; Alessi, J.; Beebe, E.; Kponou, A.; Okamura, M.; Raparia, D.; Ritter, J.; Tan, Y.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Kuznetsov, G.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. RP Pikin, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM pikin@bnl.gov NR 8 TC 3 Z9 3 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A504 DI 10.1063/1.3666915 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100055 PM 22380200 ER PT J AU Sekine, M Kondo, K Okamura, M Hayashizaki, N AF Sekine, M. Kondo, K. Okamura, M. Hayashizaki, N. TI A study of H+ production using metal hydride and other compounds by means of laser ion source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB A laser ion source can provide wide variety of ion beams from solid target materials, however, it has been difficult to create proton beam efficiently. We examined capability of proton production using beeswax, polyethylene, and metal hydrides (MgH2 and ZrH2) as target materials. The results showed that beeswax and polyethylene could not be used to produce protons because these targets are transparent to the laser wavelength of 1064 nm. On the other hand, the metal hydrides could supply protons. Although the obtained particle numbers of protons were less than those of the metal ions, the metal hydrides could be used as a target for proton laser ion source. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3675385] C1 [Sekine, M.] Tokyo Inst Technol, Dept Nucl Engn, Meguro Ku, Tokyo 152, Japan. [Sekine, M.] RIKEN, Wako, Saitama, Japan. [Kondo, K.; Okamura, M.] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. [Hayashizaki, N.] Tokyo Inst Technol, Res Lab Nucl Reactors, Meguro Ku, Tokyo 152, Japan. RP Sekine, M (reprint author), Tokyo Inst Technol, Dept Nucl Engn, Meguro Ku, Tokyo 152, Japan. EM sekine.m.ae@m.titech.ac.jp RI Hayashizaki, Noriyosu/C-3448-2015 OI Hayashizaki, Noriyosu/0000-0002-8245-7869 NR 6 TC 4 Z9 4 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02B318 DI 10.1063/1.3675385 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100152 PM 22380297 ER PT J AU Stockli, MP Han, BX Hardek, TW Kang, YW Murray, SN Pennisi, TR Piller, C Santana, M Welton, R AF Stockli, Martin P. Han, B. X. Hardek, T. W. Kang, Y. W. Murray, S. N. Pennisi, T. R. Piller, C. Santana, M. Welton, R. TI Producing persistent, high-current, high-duty-factor H- beams for routine 1 MW operation of Spallation Neutron Source (invited) SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID SNS AB Since 2009, the Spallation Neutron Source (SNS) has been producing neutrons with ion beam powers near 1 MW, which requires the extraction of similar to 50 mA H- ions from the ion source with a similar to 5% duty factor. The 50 mA are achieved after an initial dose of similar to 3 mg of Cs and heating the Cs collar to similar to 170 degrees C. The 50 mA normally persist for the entire 4-week source service cycles. Fundamental processes are reviewed to elucidate the persistence of the SNS H- beams without a steady feed of Cs and why the Cs collar temperature may have to be kept near 170 degrees C. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3681921] C1 [Stockli, Martin P.; Han, B. X.; Hardek, T. W.; Kang, Y. W.; Murray, S. N.; Pennisi, T. R.; Piller, C.; Santana, M.; Welton, R.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. RP Stockli, MP (reprint author), Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. EM stockli@sns.gov OI Piller, Chip/0000-0003-4729-9364 NR 14 TC 16 Z9 16 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A732 DI 10.1063/1.3681921 PN 2 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100096 PM 22380241 ER PT J AU Sy, A Ji, Q Persaud, A Waldmann, O Schenkel, T AF Sy, A. Ji, Q. Persaud, A. Waldmann, O. Schenkel, T. TI Novel methods for improvement of a Penning ion source for neutron generator applications SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB Penning ion source performance for neutron generator applications is characterized by the atomic ion fraction and beam current density, providing two paths by which source performance can be improved for increased neutron yields. We have fabricated a Penning ion source to investigate novel methods for improving source performance, including optimization of wall materials and electrode geometry, advanced magnetic confinement, and integration of field emitter arrays for electron injection. Effects of several electrode geometries on discharge characteristics and extracted ion current were studied. Additional magnetic confinement resulted in a factor of two increase in beam current density. First results indicate unchanged proton fraction and increased beam current density due to electron injection from carbon nanofiber arrays. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3670744] C1 [Sy, A.; Ji, Q.; Persaud, A.; Waldmann, O.; Schenkel, T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Sy, A.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. RP Sy, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM asy@lbl.gov NR 8 TC 5 Z9 5 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02B309 DI 10.1063/1.3670744 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100143 PM 22380288 ER PT J AU Toivanen, V Tarvainen, O Lyneis, C Kauppinen, J Komppula, J Koivisto, H AF Toivanen, V. Tarvainen, O. Lyneis, C. Kauppinen, J. Komppula, J. Koivisto, H. TI Electron cyclotron resonance ion source plasma chamber studies using a network analyzer as a loaded cavity probe SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB A method and first results utilizing a network analyzer as a loaded cavity probe to study the resonance properties of a plasma filled electron cyclotron resonance ion source (ECRIS) plasma chamber are presented. The loaded cavity measurements have been performed using a dual port technique, in which two separate waveguides were used simultaneously. One port was used to ignite and sustain the plasma with a microwave source operating around 11 GHz and the other was used to probe the cavity properties with the network analyzer using a frequency range around 14 GHz. The first results obtained with the JYFL 14 GHz ECRIS demonstrate that the presence of plasma has significant effects on the resonance properties of the cavity. With plasma the frequency dependent behavior is strongly damped and this trend strengthens with increasing microwave power. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3660818] C1 [Toivanen, V.; Tarvainen, O.; Kauppinen, J.; Komppula, J.; Koivisto, H.] Univ Jyvaskyla, Dept Phys, Jyvaskyla 40500, Finland. [Lyneis, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Toivanen, V (reprint author), Univ Jyvaskyla, Dept Phys, Jyvaskyla 40500, Finland. EM ville.toivanen@jyu.fi OI Komppula, Jani/0000-0001-5330-556X NR 8 TC 4 Z9 4 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A306 DI 10.1063/1.3660818 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100008 PM 22380153 ER PT J AU Vondrasek, R Levand, A Pardo, R Savard, G Scott, R AF Vondrasek, R. Levand, A. Pardo, R. Savard, G. Scott, R. TI Charge breeding results and future prospects with electron cyclotron resonance ion source and electron beam ion source (invited) SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID ATLAS AB The Californium Rare Ion Breeder Upgrade (CARIBU) of the Argonne National Laboratory ATLAS facility will provide low-energy and reaccelerated neutron-rich radioactive beams for the nuclear physics program. A 70 mCi Cf-252 source produces fission fragments which are thermalized and collected by a helium gas catcher into a low-energy particle beam with a charge of 1+ or 2+. An electron cyclotron resonance (ECR) ion source functions as a charge breeder in order to raise the ion charge sufficiently for acceleration in the ATLAS linac. The final CARIBU configuration will utilize a 1 Ci Cf-252 source to produce radioactive beams with intensities up to 10(6) ions/s for use in the ATLAS facility. The ECR charge breeder has been tested with stable beam injection and has achieved charge breeding efficiencies of 3.6% for Na-23(8+), 15.6% for Kr-84(17), and 13.7% for Rb-85(19+) with typical breeding times of 10 ms/charge state. For the first radioactive beams, a charge breeding efficiency of 11.7% has been achieved for Cs-143(27+) and 14.7% for Ba-143(27+). The project has been commissioned with a radioactive beam of Ba-143(27+) accelerated to 6.1 MeV/u. In order to take advantage of its lower residual contamination, an EBIS charge breeder will replace the ECR charge breeder in the next two years. The advantages and disadvantages of the two techniques are compared taking into account the requirements of the next generation radioactive beam facilities. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3673629] C1 [Vondrasek, R.; Levand, A.; Pardo, R.; Savard, G.; Scott, R.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Vondrasek, R (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM vondrasek@anl.gov OI Pardo, Richard/0000-0002-8264-9430 NR 22 TC 7 Z9 7 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A913 DI 10.1063/1.3673629 PN 2 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100109 PM 22380254 ER PT J AU Welton, RF Dudnikov, VG Gawne, KR Han, BX Murray, SN Pennisi, TR Roseberry, RT Santana, M Stockli, MP Turvey, MW AF Welton, R. F. Dudnikov, V. G. Gawne, K. R. Han, B. X. Murray, S. N. Pennisi, T. R. Roseberry, R. T. Santana, M. Stockli, M. P. Turvey, M. W. TI H- radio frequency source development at the Spallation Neutron Source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB The Spallation Neutron Source (SNS) now routinely operates nearly 1 MW of beam power on target with a highly persistent similar to 38 mA peak current in the linac and an availability of similar to 90%. H- beam pulses (similar to 1 ms, 60 Hz) are produced by a Cs-enhanced, multicusp ion source closely coupled with an electrostatic low energy beam transport (LEBT), which focuses the 65 kV beam into a radio frequency quadrupole accelerator. The source plasma is generated by RF excitation (2 MHz, similar to 60 kW) of a copper antenna that has been encased with a thickness of similar to 0.7 mim of porcelain enamel and immersed into the plasma chamber. The ion source and LEBT normally have a combined availability of similar to 99%. Recent increases in duty-factor and RF power have made antenna failures a leading cause of downtime. This report first identifies the physical mechanism of antenna failure from a statistical inspection of similar to 75 antennas which ran at the SNS, scanning electron microscopy studies of antenna surface, and cross sectional cuts and analysis of calorimetric heating measurements. Failure mitigation efforts are then described which include modifying the antenna geometry and our acceptance/installation criteria. Progress and status of the development of the SNS external antenna source, a long-term solution to the internal antenna problem, are then discussed. Currently, this source is capable of delivering comparable beam currents to the baseline source to the SNS and, an earlier version, has briefly demonstrated unanalyzed currents up to similar to 100 mA (1 ms, 60 Hz) on the test stand. In particular, this paper discusses plasma ignition (dc and RF plasma guns), antenna reliability, magnet overheating, and insufficient beam persistence. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3678651] C1 [Welton, R. F.; Gawne, K. R.; Han, B. X.; Murray, S. N.; Pennisi, T. R.; Roseberry, R. T.; Santana, M.; Stockli, M. P.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Dudnikov, V. G.] Muons Inc, Batavia, IL 60510 USA. [Turvey, M. W.] Villanova Univ, Villanova, PA 19085 USA. RP Welton, RF (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37830 USA. EM welton@ornl.gov NR 6 TC 9 Z9 9 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A725 DI 10.1063/1.3678651 PN 2 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100089 PM 22380234 ER PT J AU Winklehner, D Leitner, D Benitez, JY Lyneis, CM Strohmeier, MM AF Winklehner, D. Leitner, D. Benitez, J. Y. Lyneis, C. M. Strohmeier, M. M. TI Progress towards the development of a realistic electron cyclotron resonance ion source extraction model SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB In this paper, an ongoing effort to provide a simulation and design tool for electron cyclotron resonance ion source extraction and low energy beam transport is described and benchmarked against experimental results. Utilizing the particle-in-cell code WARP, a set of scripts has been developed: A semiempirical method of generating initial conditions, a 2D-3D hybrid method of plasma extraction and a simple beam transport deck. Measured emittances and beam profiles of uranium and helium beams are shown and the influence of the sextupole part of the plasma confinement field is investigated. The results are compared to simulations carried out using the methods described above. The results show that the simulation model (with some additional refinements) represents highly charged, well-confined ions well, but that the model is less applicable for less confined, singly charged ions. (C) 2012 American Institute of Physics. [doi:10.1063/1.3669791] C1 [Winklehner, D.; Leitner, D.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Benitez, J. Y.; Lyneis, C. M.; Strohmeier, M. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Winklehner, D (reprint author), Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. EM winklehner@nscl.msu.edu NR 14 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02B706 DI 10.1063/1.3669791 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100166 PM 22380311 ER PT J AU Dikshit, V Yueh, FY Singh, JP McIntyre, DL Jain, JC Melikechi, N AF Dikshit, Vivek Yueh, Fang-Yu Singh, Jagdish P. McIntyre, Dustin L. Jain, Jinesh C. Melikechi, Nouredine TI Laser induced breakdown spectroscopy: A potential tool for atmospheric carbon dioxide measurement SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE LIBS; Sensor; Carbon dioxide; Detection; Ambient air ID GAS; ONLINE; LIBS AB Carbon dioxide (CO2) is a main contributor to global warming, making up approximately 80% [1] of the greenhouse gases in the atmosphere. Therefore, a precise measurement of the atmospheric CO2 concentration is essential. Although a number of analytical techniques are available for measuring CO2 in air samples, laser induced breakdown spectroscopy (LIBS) offers a relatively simple and straightforward analysis which is why it was utilized in this study. LIBS requires a simple experimental setup and offers real-time carbon dioxide measurement. The strong C(I) emission line at 247.85 nm was selected for CO2 measurement, which yielded a detection limit of 36 ppm with a pulse energy of 145 mJ. Real-time measurement has been demonstrated: a single measurement can be made in 40 s with a relative standard deviation (RSD) of 3.6%. (C) 2012 Elsevier B.V. All rights reserved. C1 [Dikshit, Vivek; Yueh, Fang-Yu; Singh, Jagdish P.] Mississippi State Univ, Inst Clean Energy Technol, Starkville, MS USA. [McIntyre, Dustin L.; Jain, Jinesh C.] US DOE, Natl Energy Technol Lab, Morgantown, WV USA. [Melikechi, Nouredine] Delaware State Univ, Dept Phys & Preengn, CREOSA, Dover, DE USA. RP Singh, JP (reprint author), Mississippi State Univ, Inst Clean Energy Technol, 205 Res Blvd, Starkville, MS USA. EM singh@icet.msstate.edu FU DESU-NSF [HRD-0630388] FX Authors would like to thank Christopher Ramos and K.E. Eseller for useful discussion during the work. This work was supported by DESU-NSF contract no. HRD-0630388. NR 16 TC 17 Z9 17 U1 3 U2 24 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0584-8547 J9 SPECTROCHIM ACTA B JI Spectroc. Acta Pt. B-Atom. Spectr. PD FEB PY 2012 VL 68 BP 65 EP 70 DI 10.1016/j.sab.2012.01.009 PG 6 WC Spectroscopy SC Spectroscopy GA 921QP UT WOS:000302492500008 ER PT J AU Teran, AA Mullin, SA Hallinan, DT Balsara, NP AF Teran, Alexander A. Mullin, Scott A. Hallinan, Daniel T., Jr. Balsara, Nitash P. TI Discontinuous Changes in Ionic Conductivity of a Block Copolymer Electrolyte through an Order-Disorder Transition SO ACS MACRO LETTERS LA English DT Article ID POLY(ETHYLENE OXIDE)/LII MELTS; MOLECULAR-DYNAMICS SIMULATIONS; MICROPHASE SEPARATION; POLYMER ELECTROLYTES; WEIGHT; TRANSPORT; BATTERIES AB The ionic conductivity of a block copolymer electrolyte was measured in an in situ small-angle X-ray scattering experiment as it transitioned from an ordered lamellar structure to a disordered phase. The ionic conductivity increases discontinuously as the electrolyte transitions from order to disorder. A simple framework for quantifying the magnitude of the discontinuity is presented. This study lays the groundwork for understanding the effect of more complex phase transitions such as order-order transitions on ion transport. C1 [Teran, Alexander A.; Mullin, Scott A.; Hallinan, Daniel T., Jr.; Balsara, Nitash P.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Balsara, Nitash P.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Teran, Alexander A.; Mullin, Scott A.; Hallinan, Daniel T., Jr.; Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. RP Balsara, NP (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM nbalsara@berkeley.edu OI Hallinan, Daniel/0000-0002-3819-0992 FU Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [DMR 0966626]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The synthesis and characterization of the polymer were supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under contract no. DE-AC02-05CH11231 under the Batteries for Advanced Transportation Technologies (BATT) Program. The in situ SAXS measurements were supported by the National Science Foundation (DMR 0966626). AAT was supported by a National Science Foundation Graduate Research Fellowship. SAXS experiments were performed at the Advanced Light Source, a user facility at Lawrence Berkeley National Laboratory, supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 20 TC 23 Z9 23 U1 7 U2 49 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-1653 J9 ACS MACRO LETT JI ACS Macro Lett. PD FEB PY 2012 VL 1 IS 2 BP 305 EP 309 DI 10.1021/mz200183t PG 5 WC Polymer Science SC Polymer Science GA 914RN UT WOS:000301969500011 ER PT J AU Balogh, L Capolungo, L Tome, CN AF Balogh, L. Capolungo, L. Tome, C. N. TI On the measure of dislocation densities from diffraction line profiles: A comparison with discrete dislocation methods SO ACTA MATERIALIA LA English DT Article DE Line profile analysis; X-ray; Dislocations ID X-RAY-DIFFRACTION; PLASTICALLY DEFORMED-CRYSTALS; SINGLE-CRYSTALS; ELASTIC FIELD; DEFORMATION; MICROSTRUCTURE; DISTRIBUTIONS; POLYCRYSTALS; TEMPERATURE; EVOLUTION AB In this work the accuracy and range of applicability of peak broadening models, from which dislocation densities can be extracted, is studied. For that purpose dislocation microstructures are generated via a discrete dislocation dynamics method and the internal elastic strains within the simulated volume are calculated. Diffraction peaks are generated from the simulations and a whole pattern line profile analysis method based on the Wilkens model is used to quantify the dislocation densities associated with the simulated microstructures. The work is applied to the case of face-centered cubic crystals deforming in coplanar slip. The accuracy of the analytical models is quantified by considering realistic three-dimensional microstructures containing curved dislocations with a specified distribution. The dependence and sensitivity of the analytical models upon dislocation density and long-range order are investigated. It was found that, provided the distribution of dislocations is rather homogeneous, line profile analysis provides fairly accurate predictions of the dislocation density. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Capolungo, L.] UMI 2958 Georgia Tech CNRS, Georgia Inst Technol Lorraine, George Woodruff Sch Mech Engn, F-57070 Metz, France. [Balogh, L.; Tome, C. N.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Capolungo, L (reprint author), UMI 2958 Georgia Tech CNRS, Georgia Inst Technol Lorraine, George Woodruff Sch Mech Engn, F-57070 Metz, France. EM lcapolun@georgiatech-metz.fr RI Tome, Carlos/D-5058-2013; Balogh, Levente/S-1238-2016 FU Office of Basic Energy Sciences under US DOE [FWP 06SCPE401, W-7405-ENG-36] FX The authors would like to acknowledge support from Office of Basic Energy Sciences, Project FWP 06SCPE401, under US DOE Contract No. W-7405-ENG-36. The authors would also like to thank Tamas Ungar for critical reading of the manuscript and helpful comments. NR 62 TC 14 Z9 14 U1 3 U2 27 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 FEB PY 2012 VL 60 IS 4 BP 1467 EP 1477 DI 10.1016/j.actamat.2011.10.037 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914YK UT WOS:000301989500004 ER PT J AU Wang, J Misra, A Hoagland, RG Hirth, JP AF Wang, J. Misra, A. Hoagland, R. G. Hirth, J. P. TI Slip transmission across fcc/bcc interfaces with varying interface shear strengths SO ACTA MATERIALIA LA English DT Article DE Dislocation; Interfaces; Slip transmission; Atomistic modeling ID MINIMUM ENERGY PATHS; ELASTIC BAND METHOD; METALLIC MULTILAYERS; DISLOCATION NUCLEATION; DEFORMATION MECHANISMS; NANOSTRUCTURED METALS; ATOMISTIC SIMULATIONS; BICRYSTAL INTERFACES; LAYERED COMPOSITES; SCREW DISLOCATION AB Interfaces with relatively low shear strengths can be strong barriers to slip transmission because of core spreading of the dislocation within the interface. Using atomistic modeling and elasticity-based calculations we have studied the influence of interface shear strength on the slip transmission of a single dislocation across fcc/bcc interfaces. "Tunable" interatomic potentials were employed to vary the interface shear strength for the same interface crystallography. The results show that the slip transmission barrier increases with decreasing shear strength of the interface. The results reveal a mechanism for the variations in ultra-high strengths observed in nanoscale fcc/bcc multilayers. Published by Elsevier Ltd. on behalf of Acta Materialia Inc. C1 [Wang, J.; Hoagland, R. G.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Misra, A.; Hirth, J. P.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Wang, J (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MST 8, Los Alamos, NM 87545 USA. EM wangj6@lanl.gov RI Misra, Amit/H-1087-2012; Hoagland, Richard/G-9821-2012; Wang, Jian/F-2669-2012 OI Wang, Jian/0000-0001-5130-300X FU US Department of Energy, Office of Science, Office of Basic Sciences; LDRD-ER20110573 FX This work was fully supported by the US Department of Energy, Office of Science, Office of Basic Sciences. J.W. is also grateful for support provided by the Project LDRD-ER20110573. NR 49 TC 47 Z9 48 U1 5 U2 54 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 FEB PY 2012 VL 60 IS 4 BP 1503 EP 1513 DI 10.1016/j.actamat.2011.11.047 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914YK UT WOS:000301989500007 ER PT J AU Carpenter, JS Vogel, SC LeDonne, JE Hammon, DL Beyerlein, IJ Mara, NA AF Carpenter, J. S. Vogel, S. C. LeDonne, J. E. Hammon, D. L. Beyerlein, I. J. Mara, N. A. TI Bulk texture evolution of Cu-Nb nanolamellar composites during accumulative roll bonding SO ACTA MATERIALIA LA English DT Article DE Texture; Metal; Multilayer; Nanocomposite; Accumulative roll bonding ID CHANNEL ANGULAR EXTRUSION; NEUTRON-DIFFRACTION; NANOLAYERED COMPOSITES; MECHANICAL-PROPERTIES; PLASTIC-DEFORMATION; TOF DIFFRACTOMETER; CU/NB MULTILAYERS; MODELING TEXTURE; PROCESSING ROUTE; GRAIN-REFINEMENT AB A combination of accumulative roll bonding (ARB) and rolling is used to fabricate nanolamellar Cu-Nb multilayers with individual layer thicknesses (h) of 600 mu m >= h >= 10 nm with a total strain imposed between 0.5 and 11.6. Neutron diffraction, scanning electron microscopy and transmission electron microscopy are used to characterize the microstructures and measure orientation distribution functions of both phases as a function of layer thickness. Fiber plots are calculated from the orientation distribution functions in order to understand the texture evolution in the Cu and Nb layers with increasing strain. Results are compared with rolling studies of single phase Cu, single phase Nb, and cast Cu-20 wt.% Nb composite. Results indicate that textures develop in the Cu and Nb layers during ARB that are distinct from classical rolling textures frequently observed both in their single-phase counterparts and in rolled composites. The atypical texture that develops shows a preferential strengthening of specific beta fiber components at the expense of others in Cu and a strengthening of the alpha fiber at the expense of the gamma fiber in Nb. No dynamic recrystallization is observed in Cu, even at strains above 99.99%, further delineating the behavior from single phase and composite behavior previously observed. Viscoplastic self-consistent (VPSC) polycrystal simulations were carried out to provide an understanding of the texture evolution in accumulative roll bonding. Enforcing planar slip in Cu leads to texture evolution for VPSC consistent with observations. A reasonable fit for Nb could be produced via the selection of specific {1 1 0} and {1 1 2} slip systems. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Carpenter, J. S.; Vogel, S. C.; Hammon, D. L.; Beyerlein, I. J.; Mara, N. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [LeDonne, J. E.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. RP Carpenter, JS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM carpenter@lanl.gov RI Lujan Center, LANL/G-4896-2012; Beyerlein, Irene/A-4676-2011; Mara, Nathan/J-4509-2014; OI Vogel, Sven C./0000-0003-2049-0361; Carpenter, John/0000-0001-8821-043X; Mara, Nathan/0000-0002-9135-4693 FU Los Alamos National Laboratory Directed Research and Development (LDRD) [DR20110029]; Office of Basic Energy Sciences (DOE); DOE [DE AC52 06NA25396] FX The authors are grateful for valuable discussions with Prof. A.D. Rollett of Carnegie Mellon University, Dr S. Lim of the Singapore Institute of Manufacturing Technology, and Dr A. Kanjarla of LANL. The authors also acknowledge F. Bachmann (Bergakademie Freiberg, Germany) for development of the script to symmetrize pole figures in mtex. They also appreciate the helpful comments made by the anonymous referee. This work was funded through Los Alamos National Laboratory Directed Research and Development (LDRD) Project DR20110029. 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). Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE AC52 06NA25396. NR 61 TC 87 Z9 87 U1 7 U2 74 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 FEB PY 2012 VL 60 IS 4 BP 1576 EP 1586 DI 10.1016/j.actamat.2011.11.045 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914YK UT WOS:000301989500013 ER PT J AU Battaile, CC Boyce, BL Weinberger, CR Prasad, SV Michael, JR Clark, BG AF Battaile, Corbett C. Boyce, Brad L. Weinberger, Christopher R. Prasad, Somuri V. Michael, Joseph R. Clark, Blythe G. TI The hardness and strength of metal tribofilms: An apparent contradiction between nanoindentation and pillar compression SO ACTA MATERIALIA LA English DT Article DE Wear; Deformation structure; Dislocations; Compression test; Nanoindentation ID STRAIN GRADIENT PLASTICITY; DISLOCATION NUCLEATION; SINGLE-CRYSTAL; SIZE; SIMULATIONS; NICKEL; SCALE; WEAR; DEFORMATION; NANOPILLARS AB After sliding contact of a hard spherical counterface on a metal surface, the resulting wear scar possesses a complex microstructure consisting of dislocations, dislocation cells, ultrafine or nanocrystalline grains, and material that has undergone dynamic recovery. There remains a controversy as to the mechanical properties of the tribolayer formed in this wear scar. To investigate the properties of this thin layer of damaged material in single crystal nickel, we employed two complementary techniques: pillar compression and nanoindentation. In both techniques, the tests were tailored to characterize the near surface properties associated with the top 500 nm of material, where the wear-induced damage was most extensive. Pillar compression indicated that the worn material was substantially softer than neighboring unworn base metal. However, nanoindentation showed that the wear track was substantially harder than the base metal. These apparently contradictory results are explained on the basis of source limited deformation. The worn pillars are softer than unworn pillars due to a pre-straining effect: undefected pillars are nearly free of dislocations, whereas worn pillars have pre-existing dislocations built in. Nanoindentation in worn material behaves harder than unworn single crystal nickel due to source length reduction from the fine-grained wear structure. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Battaile, Corbett C.; Boyce, Brad L.; Weinberger, Christopher R.; Prasad, Somuri V.; Michael, Joseph R.; Clark, Blythe G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Battaile, CC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ccbatta@sandia.gov RI Boyce, Brad/H-5045-2012; Weinberger, Christopher/E-2602-2011 OI Boyce, Brad/0000-0001-5994-1743; Weinberger, Christopher/0000-0001-9550-6992 FU US Department of Energy, Office of Basic Energy Sciences; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Luke N. Brewer, Thomas E. Buchheit, Thomas W. Scharf, Rand D. Garfield, Alice C. Kilgo, Bonnie B. McKenzie and Michael J. Rye for their contributions to this work. B.L.B. and B.G.C. are supported by the US Department of Energy, Office of Basic Energy Sciences. 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 47 TC 7 Z9 7 U1 2 U2 38 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 FEB PY 2012 VL 60 IS 4 BP 1712 EP 1720 DI 10.1016/j.actamat.2011.11.059 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914YK UT WOS:000301989500027 ER PT J AU Lee, SB LeDonne, JE Lim, SCV Beyerlein, IJ Rollett, AD AF Lee, S. -B. LeDonne, J. E. Lim, S. C. V. Beyerlein, I. J. Rollett, A. D. TI The heterophase interface character distribution of physical vapor-deposited and accumulative roll-bonded Cu-Nb multilayer composites SO ACTA MATERIALIA LA English DT Article DE Cu-Nb composites; Accumulated roll bonding; Electron backscattering diffraction; Heterophase interface character distribution ID GRAIN-BOUNDARY-CHARACTER; 5 MACROSCOPIC PARAMETERS; HIGH-STRENGTH; MECHANICAL-PROPERTIES; METALLIC MULTILAYERS; DEFORMATION MECHANISMS; PLASTIC-DEFORMATION; LAYERED COMPOSITES; TEXTURE EVOLUTION; WEAK INTERFACES AB We present a method for characterizing the full five parameter heterophase interface character distributions (HICD) using two-dimensional electron back-scatter diffraction (EBSD) images. We apply the HICD method to determine the orientation relationships and three-dimensional normal vectors of Cu-Nb interfaces in both physical vapor-deposited (PVD) pure Cu-Nb (4 mu m individual layer thickness) and accumulative roll-bonded (ARB) alloyed Cu-Nb multilayer composites (200-600 nm layer thickness). The HICD analysis shows that {112}(Cu) planes arc most preferentially and frequently bonded with {112)(Nb) planes with Kurdjumov-Sachs and Nishiyama-Wasserman misorientations in the ARB alloyed Cu-Nb multilayers. These interfaces differ from the {111}(Cu)parallel to{110}(Nb) interfaces predominantly found in the PVD pure Cu-Nb multilayered thin films. Also, pure tilt type interfaces with a [111]/30 degrees misorientation and {110}(Cu) planes bonded to {112}(Nb) planes were found in ARB alloyed Cu-Nb multilayers. In the ARB material the observed Cu-Nb interfaces differ from what would be obtained from random pairings of the Cu and Nb orientations in terms of the relative intensities (in multiples of random distribution) and shapes of the interface normal peaks, which indicates that these interfaces were preferentially selected during the high strain ARB process. The measured ARB textures along the interface also differ from the theoretical rolling textures for each bulk single phase metal, suggesting that during ARB layer refinement these interfaces have some influence on slip activity by constraining grain deformation or through the kinetics of dislocation interface interactions. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Lee, S. -B.; LeDonne, J. E.; Rollett, A. D.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15232 USA. [Lim, S. C. V.] ASTAR, Singapore Inst Mfg Technol, Singapore 638075, Singapore. [Beyerlein, I. J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Lee, SB (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15232 USA. EM sukbin@andrew.cmu.edu RI Rollett, Anthony/A-4096-2012; LEE, SUKBIN/A-4936-2012; Beyerlein, Irene/A-4676-2011 OI Rollett, Anthony/0000-0003-4445-2191; FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [2008LANL1026]; MRSEC at CMU under NSF [DMR-0520425] FX J.E.L., I.J.B., and A.D.R. acknowledge support for the analysis and modeling provided in part by the Center for Materials at Irradiation and Mechanical Extremes, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Award No. 2008LANL1026. This work was supported in part by the MRSEC at CMU under NSF Award No. DMR-0520425. The authors are grateful to Prof. P. Wynblatt at CMU and Prof. M.J. Demkowicz at MIT for valuable discussions. NR 57 TC 57 Z9 57 U1 4 U2 57 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 FEB PY 2012 VL 60 IS 4 BP 1747 EP 1761 DI 10.1016/j.actamat.2011.12.007 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914YK UT WOS:000301989500031 ER PT J AU Brandes, MC Kovarik, L Miller, MK Daehn, GS Mills, MJ AF Brandes, M. C. Kovarik, L. Miller, M. K. Daehn, G. S. Mills, M. J. TI Creep behavior and deformation mechanisms in a nanocluster strengthened ferritic steel SO ACTA MATERIALIA LA English DT Article DE Oxide dispersion strengthened steel; Creep; High resolution scanning transmission electron microscopy; Dislocation glide; Kocks-Argon-Ashby model ID ELASTIC-CONSTANTS; HIGH-TEMPERATURES; SCREW DISLOCATIONS; SELF-DIFFUSION; ODS STEELS; CR ALLOYS; STABILITY; IRON; MODULI; TI AB Mechanically alloyed, nanostructured ferritic steels represent a class of alloys that can display high resistance to radiation and creep deformation, which are derived from the presence of nanoclusters, precipitates and solute segregation to the grain boundaries. The creep responses for a 14YWT nanostructured ferritic steel were measured over a range of temperatures and stress levels. The stress exponent was observed to vary non-linearly with applied stress; stress exponents were found to decrease with decreasing stress approaching unity at low stress. Transmission electron microscopy studies clearly demonstrated that creep deformation proceeds by a dislocation glide within nanoscale grains and that glide dislocations are attracted to and pinned by nanoclusters. In light of these observations, a new model of the creep response, inspired by the Kocks-Argon-Ashby model, is developed to explain the low creep rates and small stress exponents that are exhibited by these alloys. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Brandes, M. C.; Kovarik, L.; Daehn, G. S.; Mills, M. J.] Ohio State Univ, Columbus, OH 43210 USA. [Miller, M. K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Brandes, MC (reprint author), Ohio State Univ, Columbus, OH 43210 USA. EM ms_brandes@matsceng.ohio-state.edu RI Mills, Michael/I-6413-2013; Kovarik, Libor/L-7139-2016; OI Daehn, Glenn/0000-0002-5493-7902 FU US Department of Energy, Materials Sciences and Engineering Division, Office of Basic Energy Sciences [DE-AC05-00OR22725] FX The authors thank Dr. D.T. Hoelzer for supplying the material used in this study, and Dr. Joachim Schneibel for providing his specimens for TEM examination. In addition, the authors thank Professor H.L. Fraser for allowing access to the Fischione 1040 Nanomill (R), which allowed for the preparation of the highest-quality TEM specimens. This research was sponsored by the US Department of Energy, Materials Sciences and Engineering Division, Office of Basic Energy Sciences, under Contract No. DE-AC05-00OR22725. NR 65 TC 28 Z9 28 U1 2 U2 49 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 FEB PY 2012 VL 60 IS 4 BP 1827 EP 1839 DI 10.1016/j.actamat.2011.11.057 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914YK UT WOS:000301989500038 ER PT J AU Bird, JLE Jennert-Burston, KCB Bachler, MA Mason, PA Lowe, JE Heo, SJ Campisi, J Faragher, RGA Cox, LS AF Bird, Joseph L. E. Jennert-Burston, Katrin C. B. Bachler, Marcus A. Mason, Penelope A. Lowe, Jill E. Heo, Seok-Jin Campisi, Judith Faragher, Richard G. A. Cox, Lynne S. TI Recapitulation of Werner syndrome sensitivity to camptothecin by limited knockdown of the WRN helicase/exonuclease SO BIOGERONTOLOGY LA English DT Article DE Werner syndrome; WRN; RecQ; Camptothecin; Topoisomerase; RNAi; Ribozyme; Aging; Cancer ID REPLICATION FORK PROGRESSION; SYNDROME PROTEIN; SYNDROME GENE; DNA-DAMAGE; RNA INTERFERENCE; CANCER-CELLS; S-PHASE; HELICASE; EXONUCLEASE; FIBROBLASTS AB WRN is a RecQ helicase with an associated exonuclease activity important in DNA metabolism, including DNA replication, repair and recombination. In humans, deficiencies in WRN function cause the segmental progeroid Werner syndrome (WS), in which patients show premature onset of many hallmarks of normal human ageing. At the cellular level, WRN loss results in rapid replicative senescence, chromosomal instability and sensitivity to various DNA damaging agents including the topoisomerase inhibitor, camptothecin (CPT). Here, we investigate the potential of using either transient or stable WRN knockdown as a means of sensitising cells to CPT. We show that targeting WRN mRNA for degradation by either RNAi or hammerhead ribozyme catalysis renders human fibroblasts as sensitive to CPT as fibroblasts derived from WS patients, and furthermore, we find altered cell cycle transit and nucleolar destabilisation in these cells following CPT treatment. Such WS-like phenotypes are observed despite very limited decreases in total WRN protein, suggesting that levels of WRN protein are rate-limiting for the cellular response to camptothecin. These findings have major implications for development of anti-WRN agents that may be useful in sensitising tumour cells to clinically relevant topoisomerase inhibitors. C1 [Bachler, Marcus A.; Mason, Penelope A.; Cox, Lynne S.] Univ Oxford, Dept Biochem, Oxford OX1 3QU, England. [Heo, Seok-Jin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Campisi, Judith] Buck Inst Res Aging, Novato, CA USA. [Bird, Joseph L. E.; Jennert-Burston, Katrin C. B.; Lowe, Jill E.; Faragher, Richard G. A.] Univ Brighton, Sch Pharm & Biomol Sci, Brighton, E Sussex, England. RP Cox, LS (reprint author), Univ Oxford, Dept Biochem, S Parks Rd, Oxford OX1 3QU, England. EM lynne.cox@bioch.ox.ac.uk FU BBSRC [107/EGH16152, 107/ERA16270, BB/E000924/1, 43/ERA16310]; ESRC (under the cross-council New Dynamics of Ageing initiative) [ES/G037086/1]; NIH [AG024399] FX We thank Mrs Christine Borer for technical support to LSC and MAB. This work was funded by the BBSRC grants [107/EGH16152 and 107/ERA16270] to RGAF, JLEB, KJ-B and JL, BBSRC grants [BB/E000924/1] and [43/ERA16310] and ESRC programme grant [ES/G037086/1] (under the cross-council New Dynamics of Ageing initiative) to LSC, and NIH grant AG024399 to JC. NR 39 TC 1 Z9 1 U1 3 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1389-5729 J9 BIOGERONTOLOGY JI Biogerontology PD FEB PY 2012 VL 13 IS 1 SI SI BP 49 EP 62 DI 10.1007/s10522-011-9341-8 PG 14 WC Geriatrics & Gerontology SC Geriatrics & Gerontology GA 912XR UT WOS:000301835200005 PM 21786128 ER PT J AU Zaeem, MA Yin, HB Felicelli, SD AF Zaeem, Mohsen Asle Yin, Hebi Felicelli, Sergio D. TI Comparison of Cellular Automaton and Phase Field Models to Simulate Dendrite Growth in Hexagonal Crystals SO JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY LA English DT Article DE Dendrite growth; Cellular automaton; Phase-field model; Finite element; Magnesium alloy ID FINITE-ELEMENT-METHOD; CAST MAGNESIUM ALLOY; SOLIDIFICATION MICROSTRUCTURES; MULTICOMPONENT ALLOYS; NUMERICAL-SIMULATION; COMPUTER-SIMULATION; GRAIN STRUCTURES; TERNARY ALLOYS; PREDICTION; EVOLUTION AB A cellular automaton (CA)-finite element (FE) model and a phase field (PF)-FE model were used to simulate equiaxed dendritic growth during the solidification of hexagonal metals. In the CA-FE model, the conservation equations of mass and energy were solved in order to calculate the temperature field, solute concentration, and the dendritic growth morphology. CA-FE simulation results showed reasonable agreement with the previously reported experimental data on secondary dendrite arm spacing (SDAS) vs cooling rate. In the PF model, a PF variable was used to distinguish solid and liquid phases similar to the conventional PF models for solidification of pure materials. Another PF variable was considered to determine the evolution of solute concentration. Validation of both models was performed by comparing the simulation results with the analytical model developed by Lipton-Glicksman-Kurz (LGK), showing quantitatively good agreement in the tip growth velocity at a given melt undercooling. Application to magnesium alloy AZ91 (approximated with the binary Mg-8.9 wt% Al) illustrates the difficulty of modeling dendrite growth in hexagonal systems using CA-FE regarding mesh-induced anisotropy and a better performance of PF-FE in modeling multiple arbitrarily-oriented dendrites growth. C1 [Zaeem, Mohsen Asle; Felicelli, Sergio D.] Mississippi State Univ, Ctr Adv Vehicular Syst, Starkville, MS 39759 USA. [Zaeem, Mohsen Asle; Felicelli, Sergio D.] Mississippi State Univ, Dept Mech Engn, Starkville, MS 39759 USA. [Yin, Hebi] Oak Ridge Natl Lab, Mat Proc Grp, Oak Ridge, TN 37831 USA. RP Zaeem, MA (reprint author), Mississippi State Univ, Ctr Adv Vehicular Syst, Starkville, MS 39759 USA. EM mohsen@cavs.msstate.edu OI Asle Zaeem, Mohsen/0000-0002-5164-6122 FU National Science Foundation (USA) [CBET-0931801]; Department of Energy (USA) [DE-FC-26-06NT42755]; Center for Advanced Vehicular Systems (CAVS) of Mississippi State University FX This work was supported by the National Science Foundation (USA) through Grant No. CBET-0931801 and the Department of Energy (USA) through cooperative agreement No. DE-FC-26-06NT42755. The authors also appreciate the sponsorship of the Center for Advanced Vehicular Systems (CAVS) of Mississippi State University. NR 62 TC 19 Z9 21 U1 4 U2 23 PU JOURNAL MATER SCI TECHNOL PI SHENYANG PA 72 WENHUA RD, SHENYANG 110015, PEOPLES R CHINA SN 1005-0302 J9 J MATER SCI TECHNOL JI J. Mater. Sci. Technol. PD FEB PY 2012 VL 28 IS 2 BP 137 EP 146 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 910ID UT WOS:000301629500007 ER PT J AU Sakamoto, FH Doukas, AG Farinelli, WA Tannous, Z Shinn, M Benson, S Williams, GP Gubeli, JF Dylla, HF Anderson, RR AF Sakamoto, Fernanda H. Doukas, Apostolos G. Farinelli, William A. Tannous, Zeina Shinn, Michelle Benson, Steve Williams, Gwyn P. Gubeli, Joseph F., III Dylla, H. Frederick Anderson, R. Rox TI Selective photothermolysis to target sebaceous glands: Theoretical estimation of parameters and preliminary results using a free electron laser SO LASERS IN SURGERY AND MEDICINE LA English DT Article DE acne; free electron laser; in vitro; light; laser; therapy; spectroscopy; near infrared; Monte Carlo method ID PULSED-DYE-LASER; FACIAL ACNE-VULGARIS; RANDOMIZED CONTROLLED-TRIAL; DIODE-LASER; TISSUES; PREVALENCE; SKIN AB Background and Objectives The success of permanent laser hair removal suggests that selective photothermolysis (SP) of sebaceous glands, another part of hair follicles, may also have merit. About 30% of sebum consists of fats with copious CH2 bond content. SP was studied in vitro, using free electron laser (FEL) pulses at an infrared CH2 vibrational absorption wavelength band. Methods: Absorption spectra of natural and artificially prepared sebum were measured from 200 to 3,000 nm, to determine wavelengths potentially able to target sebaceous glands. The Jefferson National Accelerator superconducting FEL was used to measure photothermal excitation of aqueous gels, artificial sebum, pig skin, human scalp, and forehead skin (sebaceous sites). In vitro skin samples were exposed to FEL pulses from 1,620 to 1,720 nm, spot diameter 7-9.5 mm with exposure through a cold 48C sapphire window in contact with the skin. Exposed and control tissue samples were stained using H& E, and nitroblue tetrazolium chloride staining (NBTC) was used to detect thermal denaturation. Results: Natural and artificial sebum both had absorption peaks near 1,210, 1,728, 1,760, 2,306 and 2,346 nm. Laser-induced heating of artificial sebum was approximately twice that of water at 1,710 and 1,720 nm, and about 1.5 x higher in human sebaceous glands than in water. Thermal camera imaging showed transient focal heating near sebaceous hair follicles. Histologically, skin samples exposed to similar to 1,700 nm, similar to 100-125 milliseconds pulses showed evidence of selective thermal damage to sebaceous glands. Sebaceous glands were positive for NBTC staining, without evidence of selective loss in samples exposed to the laser. Epidermis was undamaged in all samples. Conclusions: SP of sebaceous glands appears to be feasible. Potentially, optical pulses at similar to 1,720 or similar to 1,210 nm delivered with large beam diameter and appropriate skin cooling in approximately 0.1 seconds may provide an alternative treatment for acne. Lasers Surg. Med. 44: 175-183, 2012. (C) 2011 Wiley Periodicals, Inc. C1 [Sakamoto, Fernanda H.; Doukas, Apostolos G.; Farinelli, William A.; Tannous, Zeina; Anderson, R. Rox] Massachusetts Gen Hosp, Dept Dermatol, Wellman Ctr Photomed, Boston, MA 02114 USA. [Sakamoto, Fernanda H.; Doukas, Apostolos G.; Farinelli, William A.; Tannous, Zeina; Anderson, R. Rox] Harvard Univ, Sch Med, Dept Dermatol, Boston, MA 02114 USA. [Tannous, Zeina] Lebanese Amer Univ, Rizk Hosp, Univ Med Ctr, Dept Dermatol, Beirut, Lebanon. [Shinn, Michelle; Benson, Steve; Williams, Gwyn P.; Gubeli, Joseph F., III] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Dylla, H. Frederick] Amer Inst Phys, College Pk, MD 20740 USA. RP Anderson, RR (reprint author), 55 Fruit St,BHX 630, Boston, MA 02114 USA. EM rranderson@partners.org FU Medical Free Electron Laser Research Program; AFOSR, US Department of Defense [FA 9550-04-1-0079]; Office of Naval Research; Commonwealth of Virginia FX Contract grant sponsor: Medical Free Electron Laser Research Program; Contract grant sponsor: AFOSR, US Department of Defense; Contract grant number: FA 9550-04-1-0079; Contract grant sponsor: Office of Naval Research; Contract grant sponsor: Commonwealth of Virginia. NR 30 TC 17 Z9 18 U1 0 U2 12 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0196-8092 J9 LASER SURG MED JI Lasers Surg. Med. PD FEB PY 2012 VL 44 IS 2 BP 175 EP 183 DI 10.1002/lsm.21132 PG 9 WC Dermatology; Surgery SC Dermatology; Surgery GA 897WN UT WOS:000300691200015 PM 22170298 ER PT J AU Shi, TJ Zhou, JY Gritsenko, MA Hossain, M Camp, DG Smith, RD Qian, WJ AF Shi, Tujin Zhou, Jian-Ying Gritsenko, Marina A. Hossain, Mahmud Camp, David G., II Smith, Richard D. Qian, Wei-Jun TI IgY14 and Super Mix immunoaffinity separations coupled with liquid chromatography-mass spectrometry for human plasma proteomics biomarker discovery SO METHODS LA English DT Review DE SuperMix; IgY14; Immunoaffinity; Plasma proteomics; Biomarker discovery ID LOW ABUNDANCE PROTEINS; MULTIPLEXED ASSAYS; HUMAN SERUM; DEPLETION; FRACTIONATION; ENRICHMENT; COMBINATION; STRATEGIES; PEPTIDE AB Interest in the application of advanced proteomics technologies to human blood plasma- or serum-based clinical samples for the purpose of discovering disease biomarkers continues to grow: however, the enormous dynamic range of protein concentrations in these types of samples (often >10 orders of magnitude) represents a significant analytical challenge, particularly for detecting low-abundance candidate biomarkers. In response, immunoaffinity separation methods for depleting multiple high- and moderate-abundance proteins have become key tools for enriching low-abundance proteins and enhancing detection of these proteins in plasma proteomics. Herein, we describe IgY14 and tandem IgY14-Supermix separation methods for removing 14 high-abundance and up to 60 moderate-abundance proteins, respectively, from human blood plasma and highlight their utility when combined with liquid chromatography-tandem mass spectrometry for interrogating the human plasma proteome. (C) 2011 Elsevier Inc. All rights reserved. C1 [Qian, Wei-Jun] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Qian, WJ (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999,MSIN K8-98, Richland, WA 99352 USA. EM weijun.qian@pnnl.gov RI Zhou, Jian-Ying/D-1308-2012; Smith, Richard/J-3664-2012; Shi, Tujin/O-1789-2014 OI Smith, Richard/0000-0002-2381-2349; FU NIH [1-DP2OD006668-01, R01 DK074795, CA111244, RR018522]; DOE [DE-AC05-76RL0 1830]; US Department of Energy (DOE)/BER FX Portions of this work were supported by the NIH Director's New Innovator Award Program 1-DP2OD006668-01, NIH Grants R01 DK074795, CA111244, and RR018522. The experimental work described herein was performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the US Department of Energy (DOE)/BER and located at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE under Contract DE-AC05-76RL0 1830. NR 33 TC 22 Z9 22 U1 3 U2 22 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1046-2023 J9 METHODS JI Methods PD FEB PY 2012 VL 56 IS 2 BP 246 EP 253 DI 10.1016/j.ymeth.2011.09.001 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 916LN UT WOS:000302105400019 PM 21925605 ER PT J AU Brovelli, S Chiodini, N Lorenzi, R Lauria, A Romagnoli, M Paleari, A AF Brovelli, Sergio Chiodini, Norberto Lorenzi, Roberto Lauria, Alessandro Romagnoli, Marco Paleari, Alberto TI Fully inorganic oxide-in-oxide ultraviolet nanocrystal light emitting devices SO NATURE COMMUNICATIONS LA English DT Article ID SEMICONDUCTOR NANOCRYSTALS; SNO2 NANOCRYSTALS; GLASS-CERAMICS; SOL-GEL; NANOSTRUCTURED SNO2-SIO2; DIODES; SILICA; ELECTROLUMINESCENCE; NANOPARTICLES; LAYERS AB The development of integrated photonics and lab-on-a-chip platforms for environmental and biomedical diagnostics demands ultraviolet electroluminescent materials with high mechanical, chemical and environmental stability and almost complete compatibility with existing silicon technology. Here we report the realization of fully inorganic ultraviolet light-emitting diodes emitting at 390 nm with a maximum external quantum efficiency of similar to 0.3%, based on SnO2 nanoparticles embedded in SiO2 thin films obtained from a solution-processed method. The fabrication involves a single deposition step onto a silicon wafer followed by a thermal treatment in a controlled atmosphere. The fully inorganic architecture ensures superior mechanical robustness and optimal chemical stability in organic solvents and aqueous solutions. The versatility of the fabrication process broadens the possibility of optimizing this strategy and extending it to other nanostructured systems for designed applications, such as active components of wearable health monitors or biomedical devices. C1 [Brovelli, Sergio; Chiodini, Norberto; Lorenzi, Roberto; Lauria, Alessandro; Paleari, Alberto] Univ Milano Bicocca, Dept Mat Sci, I-20125 Milan, Italy. [Brovelli, Sergio] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Romagnoli, Marco] MIT, Ctr Mat Proc, Cambridge, MA 02139 USA. RP Brovelli, S (reprint author), Univ Milano Bicocca, Dept Mat Sci, Via Cozzi 53, I-20125 Milan, Italy. EM sergio.brovelli@unimib.it; alberto.paleari@mater.unimib.it RI Lorenzi, Roberto/D-1916-2014; Lauria, Alessandro/C-5041-2016; OI Lorenzi, Roberto/0000-0002-6199-0971; Lauria, Alessandro/0000-0002-7978-2687; Brovelli, Sergio/0000-0002-5993-855X FU Cariplo Foundation, Italy [20060656]; Silvio Tronchetti Provera Foundation; Los Alamos National Laboratory; Russian Federation [11.G34.31.0027] FX We acknowledge the financial support of Cariplo Foundation, Italy, under Project no. 20060656. S.B. acknowledges the financial support of the Silvio Tronchetti Provera Foundation and the Los Alamos National Laboratory Directed Research and Development Program. A.P. acknowledges the financial support by the Russian Federation under grant No. 11.G34.31.0027. NR 55 TC 25 Z9 25 U1 8 U2 61 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD FEB PY 2012 VL 3 AR 690 DI 10.1038/ncomms1683 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 915XE UT WOS:000302060100031 PM 22353720 ER PT J AU Choi, WS Chisholm, MF Singh, DJ Choi, T Jellison, GE Lee, HN AF Choi, Woo Seok Chisholm, Matthew F. Singh, David J. Choi, Taekjib Jellison, Gerald E., Jr. Lee, Ho Nyung TI Wide bandgap tunability in complex transition metal oxides by site-specific substitution SO NATURE COMMUNICATIONS LA English DT Article ID BI4TI3O12 SINGLE-CRYSTALS; OPTICAL-PROPERTIES; BISMUTH TITANATE; THIN-FILMS; POLARIZATION; ENHANCEMENT; ELECTRONICS; DEVICES; PHYSICS; PBTIO3 AB Fabricating complex transition metal oxides with a tunable bandgap without compromising their intriguing physical properties is a longstanding challenge. Here we examine the layered ferroelectric bismuth titanate and demonstrate that, by site-specific substitution with the Mott insulator lanthanum cobaltite, its bandgap can be narrowed by as much as 1 eV, while remaining strongly ferroelectric. We find that when a specific site in the host material is preferentially substituted, a split-off state responsible for the bandgap reduction is created just below the conduction band of bismuth titanate. This provides a route for controlling the bandgap in complex oxides for use in emerging oxide optoelectronic and energy applications. C1 [Choi, Woo Seok; Chisholm, Matthew F.; Singh, David J.; Choi, Taekjib; Jellison, Gerald E., Jr.; Lee, Ho Nyung] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Lee, HN (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM hnlee@ornl.gov RI Choi, Taekjib/H-8791-2012; Singh, David/I-2416-2012; Lee, Ho Nyung/K-2820-2012; Choi, Woo Seok/G-8783-2014 OI Choi, Taekjib/0000-0001-6912-3322; Lee, Ho Nyung/0000-0002-2180-3975; FU US. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; Oak Ridge National Laboratory FX We thank J.F. Scott and S.S.A. Seo for discussions. This work was supported by the US. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division (synthesis, theory and electrical characterization) and the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (STEM-EELS and optical characterization). The optical measurement was in part conducted at the Center for Nanophase Materials Sciences, a DOE-BES user facility. NR 33 TC 78 Z9 79 U1 9 U2 100 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD FEB PY 2012 VL 3 AR 689 DI 10.1038/ncomms1690 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 915XE UT WOS:000302060100030 PM 22353719 ER PT J AU Wang, YF Budd, DA AF Wang, Yifeng Budd, David A. TI Stress-induced chemical waves in sediment burial diagenesis SO NATURE COMMUNICATIONS LA English DT Article ID LATERAL PETROPHYSICAL HETEROGENEITY; SAN-ANDRES FORMATION; FLUID-FLOW; OUTCROP ANALOGS; CARBON-DIOXIDE; PERMIAN BASIN; DOLOMITE; DOLOMITIZATION; GENERATION; RESERVOIRS AB Lateral metre-scale periodic variations in porosity and composition are found in many dolomite strata. Such variations may embed important information about dolomite formation and transformation. Here we show that these variations could be fossilized chemical waves emerging from stress-mediated mineral-water interaction during sediment burial diagenesis. Under the overlying loading, crystals in higher porosity domains are subjected to a higher effective stress, causing pressure solution. The dissolved species diffuse to and precipitate in neighbouring lower porosity domains, further reducing the porosity. This positive feedback leads to lateral porosity and compositional patterning in dolomite. The pattern geometry depends on fluid flow regimes. In a diffusion-dominated case, the low-and high-porosity domains alternate spatially with no directional preference, while, in the presence of an advective flow, this alternation occurs only along the flow direction, propagating like a chemical wave. Our work provides a new perspective for interpreting diagenetic signatures in sedimentary rocks. C1 [Wang, Yifeng] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Budd, David A.] Univ Colorado, Dept Geol Sci, Boulder, CO 80309 USA. RP Wang, YF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ywang@sandia.gov FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; DOE Sandia LDRD; AVID consortium FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This work is partly supported by DOE Sandia LDRD Program. D.A. Budd's field and petrographic studies were supported by the industrial supporters of the AVID consortium. We would like to thank Enrique Merino of Indiana University for insightful discussions. NR 37 TC 2 Z9 2 U1 0 U2 17 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD FEB PY 2012 VL 3 AR 685 DI 10.1038/ncomms1684 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 915XE UT WOS:000302060100026 PM 22353716 ER PT J AU Wade, TC Coffey, DW Ghosh, N Wittig, JE Kang, WP Allard, LF Unocic, KA Davidson, JL Tolk, NH AF Wade, Travis C. Coffey, Dorothy W. Ghosh, Nikkon Wittig, James E. Kang, Weng P. Allard, Lawrence F. Unocic, Kinga A. Davidson, Jimmy L. Tolk, Norman H. TI Nanostructure TEM analysis of diamond cold cathode field emitters SO DIAMOND AND RELATED MATERIALS LA English DT Article DE Diamond film; Nanostructures; Plasma CVD; Field emission; High resolutions electron microscopy; Surface characterization; Microstructure ID ELECTRON-AFFINITY; EMISSION; SURFACE; DEVICES; TIPS AB Diamond cold-cathode devices have demonstrated significant potential as electron field emitters. Ultra-sharp diamond pyramidal tips (-5 nm tip radius) have been fabricated, and show improvement in emission when compared to conventional field emitters. However, the emission mechanisms in these complex diamond nanostructures are not well understood. Transmission electron microscopy performed in this study provides new insight into tip structure and composition with implications for field emission and diamond growth. (C) 2011 Elsevier B.V. All rights reserved. C1 [Wade, Travis C.; Ghosh, Nikkon; Wittig, James E.; Kang, Weng P.; Davidson, Jimmy L.; Tolk, Norman H.] Vanderbilt Univ, Nashville, TN 37235 USA. [Coffey, Dorothy W.; Allard, Lawrence F.; Unocic, Kinga A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN USA. RP Wade, TC (reprint author), Vanderbilt Univ, VU Stn B 1807, Nashville, TN 37235 USA. EM Travis.Wade@Vanderbilt.edu RI Wade, Travis/C-6745-2009 FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-000R22725]; US Army research office [W911NF-10-1-0363]; US Department of Energy [DE-FG02-99ER45781]; US Department of Defense FX The authors would like to thank Dr. William Hofmeister and Dr. Lino Costa at the University of Tennessee Space Institute for assistance in attempting other methods of tip extraction. We are thankful for our ongoing collaboration with Oak Ridge National Laboratory enabling access to advanced electron microscopy and FIB facilities via the SHaRE program. Research at the SHaRE User Facility is supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract DE-AC05-000R22725 with UT-Battelle, LLC. Support at ORNL provided by Dr. James Bentley. This work was funded by the US Army research office grant # W911NF-10-1-0363, US Department of Energy grant # DE-FG02-99ER45781, and the US Department of Defense Extreme Light Source program. NR 19 TC 5 Z9 5 U1 2 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD FEB PY 2012 VL 22 BP 29 EP 32 DI 10.1016/j.diamond.2011.11.007 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA 911EX UT WOS:000301701200005 ER PT J AU Khan, A Shankland, TJ AF Khan, A. Shankland, T. J. TI A geophysical perspective on mantle water content and melting: Inverting electromagnetic sounding data using laboratory-based electrical conductivity profiles SO EARTH AND PLANETARY SCIENCE LETTERS LA English DT Article DE mantle composition; thermal state; electrical conductivity; water content; electromagnetic sounding; inverse problems ID NOMINALLY ANHYDROUS MINERALS; GRAIN-BOUNDARY TRANSPORT; TRANSITION-ZONE; ORTHO-PYROXENE; ELASTIC PROPERTIES; DISLOCATION CREEP; SEISMIC EVIDENCE; INVERSE PROBLEMS; SILICATE MELTS; UNITED-STATES AB This paper applies electromagnetic sounding methods for Earth's mantle to constrain its thermal state, chemical composition, and "water" content. We consider long-period inductive response functions in the form of C-responses from four stations distributed across the Earth (Europe, North America, Asia and Australia) covering a period range from 3.9 to 95.2 days and sensitivity to similar to 1200 km depth. We invert C-responses directly for thermo-chemical state using a self-consistent thermodynamic method that computes phase equilibria as functions of pressure, temperature, and composition (in the Na2O-CaO-FeO-MgO-Al2O3-SiO2 model system). Computed mineral modes are combined with recent laboratory-based electrical conductivity models from independent experimental research groups (Yoshino (2010) and Karato (2011)) to compute bulk conductivity structure beneath each of the four stations from which C-responses are estimated. To reliably allocate water between the various mineral phases we include laboratory-measured water partition coefficients for major upper mantle and transition zone minerals. This scheme is interfaced with a sampling-based algorithm to solve the resulting non-linear inverse problem. This approach has two advantages: (1) It anchors temperatures, composition, electrical conductivities, and discontinuities that are in laboratory-based forward models, and (2) At the same time it permits the use of geophysical inverse methods to optimize conductivity profiles to match geophysical data. The results show lateral variations in upper mantle temperatures beneath the four stations that appear to persist throughout the upper mantle and parts of the transition zone. Calculated mantle temperatures at 410 and 660 km depth lie in the range 1250-1650 degrees C and 1500-1750 degrees C, respectively, and generally agree with the experimentally-determined temperatures at which the measured phase reactions olivine -> beta-spinel and gamma-spinel -> ferropericlase + perovskite occur. The retrieved conductivity structures beneath the various stations tend to follow trends observed for temperature with the strongest lateral variations in the uppermost mantle; for depths >300 km conductivities appear to depend less on the particular conductivity database. Conductivities at 410 km and at 660 km depth are found to agree overall with purely geophysically-derived global and semi-global one-dimensional conductivity models. Both electrical conductivity databases point to <0.01 wt.% H2O in the upper mantle. For transition zone minerals results from the laboratory database of Yoshino (2010) suggest that a much higher water content (up to 2 wt.% H2O) is required than in the other database (Karato, 2011), which favors a relatively "dry" transition zone (<0.01 wt.% H2O). Incorporating laboratory measurements of hydrous silicate melting relations and available conductivity data allows us to consider the possibility of hydration melting and a high-conductivity melt layer above the 410-km discontinuity. The latter appears to be 1) regionally localized and 2) principally a feature from the Yoshino (2010) database. Further, there is evidence of lateral heterogeneity: The mantle beneath southwestern North America and central China appears "wetter" than that beneath central Europe or Australia. (C) 2011 Elsevier B.V. All rights reserved. C1 [Khan, A.] Swiss Fed Inst Technol, Inst Geochem & Petrol, Zurich, Switzerland. [Shankland, T. J.] Los Alamos Natl Lab, Geophys Grp, Los Alamos, NM USA. RP Khan, A (reprint author), Swiss Fed Inst Technol, Inst Geochem & Petrol, Zurich, Switzerland. EM amir.khan@erdw.ethz.ch OI Shankland, Thomas/0000-0003-0555-1015 FU Swiss National Science Foundation [200021-130411] FX We thank D. Dobson for critically reviewing the manuscript, which led to much improvement An anonymous reviewer is also acknowledged for helpful input as is J. Connolly for informed discussions. This work was supported by Swiss National Science Foundation grant 200021-130411. Numerical computations were performed on the ETH cluster Brutus. NR 136 TC 37 Z9 39 U1 4 U2 48 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0012-821X EI 1385-013X J9 EARTH PLANET SC LETT JI Earth Planet. Sci. Lett. PD FEB 1 PY 2012 VL 317 BP 27 EP 43 DI 10.1016/j.epsl.2011.11.031 PG 17 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 910DF UT WOS:000301616700004 ER PT J AU Greene, DL AF Greene, David L. TI Rebound 2007: Analysis of U.S. light-duty vehicle travel statistics SO ENERGY POLICY LA English DT Article DE Rebound effect; Vehicle travel; Fuel economy ID FUEL EFFICIENCY; GASOLINE DEMAND; UNITED-STATES; PRICE; ELASTICITIES; CONSUMPTION; STANDARDS; INCOME AB U.S. national time series data on vehicle travel by passenger cars and light trucks covering the period 1966-2007 are used to test for the existence, size and stability of the rebound effect for motor vehicle fuel efficiency on vehicle travel. The data show a statistically significant effect of gasoline price on vehicle travel but do not support the existence of a direct impact of fuel efficiency on vehicle travel. Additional tests indicate that fuel price effects have not been constant over time, although the hypothesis of symmetry with respect to price increases and decreases is not rejected. Small and Van Dender (2007) model of a declining rebound effect with income is tested and similar results are obtained. (C) 2010 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Knoxville, TN USA. RP Greene, DL (reprint author), Oak Ridge Natl Lab, 2360 Cherahala Blvd, Knoxville, TN USA. EM dlgreene@ornl.gov FU U.S. Environmental Protection Agency, Office of Transportation and Air Quality FX The research presented in this paper was sponsored by the U.S. Environmental Protection Agency, Office of Transportation and Air Quality. NR 41 TC 32 Z9 32 U1 1 U2 12 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 FEB PY 2012 VL 41 BP 14 EP 28 DI 10.1016/j.enpol.2010.03.083 PG 15 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 903XH UT WOS:000301155500004 ER PT J AU Andress, D Das, S Joseck, F Nguyen, TD AF Andress, David Das, Sujit Joseck, Fred Nguyen, T. Dean TI Status of advanced light-duty transportation technologies in the US SO ENERGY POLICY LA English DT Article DE Light-duty vehicles; Transportation fuels; Transportation policies AB The need to reduce oil consumption and greenhouse gases is driving a fundamental change toward more efficient, advanced vehicles, and fuels in the transportation sector. The paper reviews the current status of light duty vehicles in the US and discusses policies to improve fuel efficiency, advanced electric drives, and sustainable cellulosic biofuels. The paper describes the cost, technical, infrastructure, and market barriers for alternative technologies, i.e., advanced biofuels and light-duty vehicles, including diesel vehicles, natural-gas vehicles, hybrid electric vehicles, plug-in hybrid electric vehicles, and fuel-cell electric vehicles. The paper also presents R&D targets and technology validation programs of the US government. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Andress, David] David Andress & Associates, Kensington, MD USA. [Das, Sujit] Oak Ridge Natl Lab, Knoxville, TN USA. [Joseck, Fred; Nguyen, T. Dean] US DOE, Washington, DC USA. RP Andress, D (reprint author), David Andress & Associates, Kensington, MD USA. EM davidandress@msn.com NR 38 TC 11 Z9 11 U1 2 U2 16 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 FEB PY 2012 VL 41 BP 348 EP 364 DI 10.1016/j.enpol.2011.10.056 PG 17 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 903XH UT WOS:000301155500035 ER PT J AU Langholtz, M Graham, R Eaton, L Perlack, R Hellwinkel, C Ugarte, DGD AF Langholtz, Matthew Graham, Robin Eaton, Laurence Perlack, Robert Hellwinkel, Chad Ugarte, Daniel G. De la Torre TI Price projections of feedstocks for biofuels and biopower in the U.S. SO ENERGY POLICY LA English DT Article DE Agricultural policy analysis; Bioenergy; US Energy independence and security act AB The economic availability of biomass resources is a critical component in evaluating the commercial viability of biofuels. To evaluate projected farmgate prices and grower payments needed to procure 295 million dry Mg (325 million dry tons) of biomass in the U.S. by 2022, this research employs POLYSYS, an economic model of the U.S. agriculture sector. A price-run simulation suggests that a farmgate price of $58.42 Mg-1 ($53.00 dry ton(-1)) is needed to procure this supply, while a demand-run simulation suggests that prices of $34.56 and $71.61 Mg-1 ($30.00 and $62.00 dry ton(-1)) in are needed in 2012 and 2022, respectively, to procure the same supply, under baseline yield assumptions. Grower payments are reported as farmgate price minus resource-specific harvest costs. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Langholtz, Matthew; Graham, Robin; Eaton, Laurence; Perlack, Robert] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Hellwinkel, Chad; Ugarte, Daniel G. De la Torre] Univ Tennessee, Dept Agr Econ & Rural Sociol, Agr Policy Anal Ctr, Knoxville, TN 37901 USA. RP Langholtz, M (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM langholtzmh@ornl.gov RI Eaton, Laurence/E-1471-2012 OI Eaton, Laurence/0000-0003-1270-9626 NR 21 TC 17 Z9 17 U1 3 U2 15 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 FEB PY 2012 VL 41 BP 484 EP 493 DI 10.1016/j.enpol.2011.11.009 PG 10 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 903XH UT WOS:000301155500047 ER PT J AU Buchmueller, O Cavanaugh, R De Roeck, A Dolan, MJ Ellis, JR Flacher, H Heinemeyer, S Isidori, G Santos, DM Olive, KA Rogerson, S Ronga, FJ Weiglein, G AF Buchmueller, O. Cavanaugh, R. De Roeck, A. Dolan, M. J. Ellis, J. R. Flaecher, H. Heinemeyer, S. Isidori, G. Santos, D. Martinez Olive, K. A. Rogerson, S. Ronga, F. J. Weiglein, G. TI Supersymmetry in light of 1/fb of LHC data SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID NEUTRALINO DARK-MATTER; LARGE TAN-BETA; EVEN HIGGS BOSONS; RELIC DENSITY; MINIMAL SUPERGRAVITY; STANDARD MODEL; FLAVOR PHYSICS; MSSM; PROGRAM; CONSTRAINTS AB We update previous frequentist analyses of the CMSSM and NUHM1 parameter spaces to include the public results of searches for supersymmetric signals using similar to 1/fb of LHC data recorded by ATLAS and CMS and similar to 0.3/fb of data recorded by LHCb in addition to electroweak precision and B-physics observables. We also include the constraints imposed by the cosmological dark matter density and the XENON100 search for spin-independent dark matter scattering. The LHC data set includes ATLAS and CMS searches for jets + (sic)(T) events and for the heavier MSSM Higgs bosons, and the upper limits on BR(Bs -> mu(+)mu(-)) from LHCb and CMS. The absences of jets + (sic)(T) signals in the LHC data favour heavier mass spectra than in our previous analyses of the CMSSM and NUHM1, which may be reconciled with (g - 2) (mu) if tan beta similar to 40, a possibility that is, however, under pressure from heavy Higgs searches and the upper limits on BR(B-s -> mu(+)mu(-)). As a result, the p-value for the CMSSM fit is reduced to similar to 15(38)%, and that for the NUHM1 to similar to 16(38)%, to be compared with similar to 9(49)% for the Standard Model limit of the CMSSM for the same set of observables (dropping (g - 2)(mu)), ignoring the dark matter relic density. We discuss the sensitivities of the fits to the (g - 2)(mu) and BR(b -> s gamma) constraints, contrasting fits with and without the (g - 2)(mu) constraint, and combining the theoretical and experimental errors for BR(b -> s gamma) linearly or in quadrature. We present predictions for m((g) over tilde), BR(B-s -> mu(+)mu(-)), M-h and MA, and update predictions for spin-independent dark matter scattering, incorporating the uncertainty in the p-nucleon sigma term Sigma(pi N). C1 [Buchmueller, O.; Rogerson, S.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, High Energy Phys Grp, London SW7 2AZ, England. [Cavanaugh, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Cavanaugh, R.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [De Roeck, A.; Ellis, J. R.; Santos, D. Martinez] CERN, CH-1211 Geneva 23, Switzerland. [De Roeck, A.] Univ Antwerp, B-2610 Antwerp, Belgium. [Dolan, M. J.] Univ Durham, Inst Particle Phys Phenomenol, Durham DH1 3LE, England. [Ellis, J. R.] Kings Coll London, Dept Phys, Theoret Particle Phys & Cosmol Grp, London WC2R 2LS, England. [Flaecher, H.] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. [Heinemeyer, S.] Inst Fis Cantabria CSIC UC, Santander 39005, Spain. [Isidori, G.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Olive, K. A.] Univ Minnesota, Sch Phys & Astron, William I Fine Theoret Phys Inst, Minneapolis, MN 55455 USA. [Ronga, F. J.] ETH, Inst Particle Phys, CH-8093 Zurich, Switzerland. [Weiglein, G.] DESY, D-22607 Hamburg, Germany. RP Buchmueller, O (reprint author), Univ London Imperial Coll Sci Technol & Med, Blackett Lab, High Energy Phys Grp, Prince Consort Rd, London SW7 2AZ, England. EM Sven.Heinemeyer@cern.ch RI Martinez Santos, Diego/I-2743-2015; OI Martinez Santos, Diego/0000-0002-6438-4483; Olive, Keith/0000-0001-7201-5998; DOLAN, MATTHEW/0000-0003-3420-8718 FU European Research Council [267352]; CICYT [2010-22163-C02-01]; Spanish MICINN [MultiDark CSD2009-00064]; DOE, University of Minnesota [DE-FG02-94ER-40823] FX The work of O.B., J.E. and K.A.O. is supported partly by the London Centre for Terauniverse Studies (LCTS), using funding from the European Research Council via the Advanced Investigator Grant 267352. The work of S. H. was supported in part by CICYT (grant FPA 2010-22163-C02-01) and by the Spanish MICINN's Consolider-Ingenio 2010 Program under grant MultiDark CSD2009-00064. The work of K.A.O. is supported in part by DOE grant DE-FG02-94ER-40823 at the University of Minnesota. NR 133 TC 48 Z9 48 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 J9 EUR PHYS J C JI Eur. Phys. J. C PD FEB PY 2012 VL 72 IS 2 AR 1878 DI 10.1140/epjc/s10052-012-1878-4 PG 20 WC Physics, Particles & Fields SC Physics GA 907QL UT WOS:000301432300014 ER PT J AU Ongena, JPHE Voitsekhovitch, I Evrard, M McCune, D AF Ongena, J. P. H. E. Voitsekhovitch, I. Evrard, M. McCune, D. TI NUMERICAL TRANSPORT CODES SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 10th Carolus Magnus Summer School on Plasma and Fusion Energy Physics CY SEP 04-16, 2011 CL Weert, NETHERLANDS ID TRITIUM TRANSPORT; PLASMA; TOKAMAK; RECONSTRUCTION; PROFILE AB This paper gives a brief introduction on numerical transport codes. The relevant equations that are used in these codes are established, and on the basis of these equations, the necessary calculations needed to resolve them are pointed out. Finally, some examples are given, illustrating their application. C1 [Ongena, J. P. H. E.; Evrard, M.] EURATOM, Ecole Royale Mil, Plasma Phys Lab, B-1000 Brussels, Belgium. [Voitsekhovitch, I.] Culham Sci Ctr, EURATOM UKAEA Fus Assoc, Abingdon OX14 3DB, Oxon, England. [McCune, D.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Ongena, JPHE (reprint author), EURATOM, Ecole Royale Mil, Plasma Phys Lab, B-1000 Brussels, Belgium. NR 24 TC 2 Z9 2 U1 0 U2 6 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 FEB PY 2012 VL 61 IS 2T BP 180 EP 189 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 903AE UT WOS:000301084500020 ER PT J AU Taguchi, T Gupta, R Lassalle-Kaiser, B Boyce, DW Yachandra, VK Tolman, WB Yano, J Hendrich, MP Borovik, AS AF Taguchi, Taketo Gupta, Rupal Lassalle-Kaiser, Benedikt Boyce, David W. Yachandra, Vittal K. Tolman, William B. Yano, Junko Hendrich, Michael P. Borovik, A. S. TI Preparation and Properties of a Monomeric High-Spin Mn-V-Oxo Complex SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID HYDROGEN-ATOM ABSTRACTION; OXYGEN-EVOLVING COMPLEX; PHOTOSYSTEM-II; OXOMANGANESE(V) PORPHYRIN; ELECTRONIC-STRUCTURE; WATER OXIDATION; BOND-CLEAVAGE; CORE; SPECTROSCOPY; TRANSITION AB Oxomanganese(V) species have been implicated in a variety of biological and synthetic processes, including their role as a key reactive center within the oxygen-evolving complex in photosynthesis. Nearly all mononuclear Mn-V-oxo complexes have tetragonal symmetry, producing low-spin species. A new high-spin Mn-V-oxo complex that was prepared from a well-characterized oxomanganese(III) complex having trigonal symmetry is now reported. Oxidation experiments with [FeCp2](+) were monitored with optical and electron paramagnetic resonance (EPR) spectroscopies and support a high-spin oxomanganese(V) complex formulation. The parallel-mode EPR spectrum has a distinctive S = 1 signal at g = 4.01 with a six-line hyperfine pattern having A(z) = 113 MHz. The presence of an oxo ligand was supported by resonance Raman spectroscopy, which revealed O-isotope-sensitive peaks at 737 and 754 cm(-1) assigned as a Fermi doublet centered at 746 cm(-1) (Delta O-18 = 31 cm(-1)). Mn K beta X-ray emission spectra showed K beta' and K beta(1,3) bands at 6475.92 and 6490.50 eV, respectively, which are characteristic of a high-spin Mn-V center. C1 [Boyce, David W.; Tolman, William B.] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. [Taguchi, Taketo; Borovik, A. S.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. [Gupta, Rupal; Hendrich, Michael P.] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA. [Lassalle-Kaiser, Benedikt; Yachandra, Vittal K.; Yano, Junko] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Boyce, David W.; Tolman, William B.] Univ Minnesota, Ctr Met Biocatalysis, Minneapolis, MN 55455 USA. RP Tolman, WB (reprint author), Univ Minnesota, Dept Chem, 207 Pleasant St SE, Minneapolis, MN 55455 USA. EM aborovik@uci.edu FU NIH [GM50781, GM77387, GM47365, GM55302]; Office of Science, Office of Basic Energy Sciences (OBES), Division of Chemical Sciences, Geosciences and Biosciences, Department of Energy (DOE) [DE-AC02-05CH11231] FX The authors thank the NIH (GM50781 to A.S.B.; GM77387 to M.P.H.; GM47365 to W.B.T.; and GM55302 to V.K.Y.) and the Office of Science, Office of Basic Energy Sciences (OBES), Division of Chemical Sciences, Geosciences and Biosciences, Department of Energy (DOE) under Contract DE-AC02-05CH11231 (to V.K.Y. and J.Y.) for financial support. Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource (SSRL) operated by DOE, OBES. We thank Drs. J. Kern, R. A. Mori, and T.-C. Weng for their help during the XES data collection and Professor T. J. Collins for providing [NEt4][MnVDMB(O)]. NR 38 TC 52 Z9 52 U1 2 U2 67 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 FEB 1 PY 2012 VL 134 IS 4 BP 1996 EP 1999 DI 10.1021/ja210957u PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 903AF UT WOS:000301084600027 PM 22233169 ER PT J AU Mugridge, JS Bergman, RG Raymond, KN AF Mugridge, Jeffrey S. Bergman, Robert G. Raymond, Kenneth N. TI Equilibrium Isotope Effects on Noncovalent Interactions in a Supramolecular Host-Guest System SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID H BOND ACTIVATION; HIGH-PRECISION MEASUREMENT; RATIONAL DESIGN; ANIONIC HOST; ENCAPSULATION; BINDING; PROBE; WATER; RECOGNITION; MOLECULES AB The self-assembled supramolecular complex [Ga4L6](12-) (1; L = 1,5-bis[2,3-dihydroxybenzamido]naphthalene) can act as a molecular host in aqueous solution and bind cationic guest molecules to its highly charged exterior Surface or within its hydrophobic interior cavity. The distinct internal cavity of host 1 modifies the physical properties and reactivity of bound guest molecules and can be used to catalyze a variety of chemical transformations. Noncovalent host-guest interactions in large part control guest binding, molecular recognition and the chemical reactivity of bound guests. Herein we examine equilibrium isotope effects (ELEs) on both exterior and-interior guest binding to host 1 and use these effects to probe the details of noncovalent host-guest interactions. For both interior and exterior binding of a benzylphosphonium guest in aqueous solution, protiated guests are found to bind more strongly to host 1 (K-H/K-D > 1) and the preferred association of protiated guests is driven by enthalpy and opposed by entropy. Deuteration of guest methyl and benzyl C-H bonds results in a larger EIE than deuteration of guest aromatic C-H bonds. The observed Ems can be well explained by considering changes in guest vibrational force constants and zero-point energies. DFT calculations further confirm the origins of these EIEs and suggest that changes in low-frequency guest C-HID vibrational motions (bends, wags, etc.) are primarily responsible for the observed EIEs. C1 [Mugridge, Jeffrey S.; Bergman, Robert G.; Raymond, Kenneth N.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Mugridge, Jeffrey S.; Bergman, Robert G.; Raymond, Kenneth N.] Univ Calif Berkeley, Lawrence Berkeley Natl 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 FU NSF [CHE-0233882, CHE-0840505]; 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 [DE-AC02-05CH11231] FX The authors would like to thank Dr. Xinzheng Yang, Dr. Jamin Krinsky and Dr. Kathleen Durkin for assistance with DFT computational Studies and acknowledge NSF Grants CHE-0233882 and CHE-0840505, which fund the UC Berkeley Molecular Graphics and Computational Facility. We also thank Dr. Ulla Andersen for help with mass spectrometry experiments and Prof. Charles Perrin for correspondence about his NMR titration methods. This work has been 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 an NSF predoctoral fellowship to J.S.M. NR 52 TC 21 Z9 21 U1 7 U2 61 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 FEB 1 PY 2012 VL 134 IS 4 BP 2057 EP 2066 DI 10.1021/ja2067324 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 903AF UT WOS:000301084600041 PM 22145944 ER PT J AU Shokri, A Schmidt, J Wang, XB Kass, SR AF Shokri, Alireza Schmidt, Jacob Wang, Xue-Bin Kass, Steven R. TI Hydrogen Bonded Arrays: The Power of Multiple Hydrogen Bonds SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ENZYMATIC CATALYSIS; OXYANION HOLE; GAS-PHASE; PHOTOELECTRON-SPECTROSCOPY; DENSITY FUNCTIONALS; KETOSTEROID ISOMERASE; MOLECULAR RECOGNITION; PROTON ABSTRACTION; CARBON ACIDS; CROWN-ETHERS AB Hydrogen bond interactions in small covalent model compounds (i.e., deprotonated polyhydroxy alcohols) were measured by negative ion photoelectron spectroscopy. The experimentally determined vertical and adiabatic electron detachment energies for (HOCH2CH2)(2)CHO- (2a), (HOCH2CH2)(3)CO- (3a), and (HOCH2CH2CH(OH)CH2)(3)CO- (4a) reveal that hydrogen-bonded networks can provide enormous stabilizations and that a single charge center not only can be stabilized by up to three hydrogen bonds but also can increase the interaction energy between noncharged OH groups by 5.8 kcal mol(-1) or more per hydrogen bond. This can lead to pK(a) values that are very different from those in water and can provide some of the impetus for catalytic processes. C1 [Wang, Xue-Bin] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Shokri, Alireza; Schmidt, Jacob; Kass, Steven R.] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. [Wang, Xue-Bin] Washington State Univ, Dept Phys, Richland, WA 99354 USA. RP Wang, XB (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, POB 999,MS K8-88 Richland, Richland, WA 99352 USA. EM xuebin.wang@pnnl.gov; kass@umn.edu FU National Science Foundation; Petroleum Research Fund; Minnesota Supercomputer Institute for Advanced Computational Research; Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (DOE); DOE's Office of Biological and Environmental Research FX This work is dedicated to the memory of Donna Kass. Generous support from the National Science Foundation, the Petroleum Research Fund, and the Minnesota Supercomputer Institute for Advanced Computational Research are gratefully acknowledged. The photoelectron spectra work was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (DOE), and performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle for the DOE. We also thank Prof. Brian Miller for helpful suggestions. NR 52 TC 27 Z9 27 U1 0 U2 30 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 FEB 1 PY 2012 VL 134 IS 4 BP 2094 EP 2099 DI 10.1021/ja2081907 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 903AF UT WOS:000301084600045 PM 22239658 ER PT J AU Yiu, AT Beaujuge, PM Lee, OP Woo, CH Toney, MF Frechet, JMJ AF Yiu, Alan T. Beaujuge, Pierre M. Lee, Olivia P. Woo, Claire H. Toney, Michael F. Frechet, Jean M. J. TI Side-Chain Tunability of Furan-Containing Low-Band-Gap Polymers Provides Control of Structural Order in Efficient Solar Cells SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CHARGE-CARRIER MOBILITY; THIN-FILM TRANSISTORS; ORGANIC PHOTOVOLTAICS; SOLVENT ADDITIVES; PHASE-SEPARATION; PERFORMANCE; DIKETOPYRROLOPYRROLE; OLIGOTHIOPHENES; POLYTHIOPHENES; OLIGOFURANS AB The solution-processability of conjugated polymers in organic solvents has classically been achieved by modulating the size and branching of alkyl substituents appended to the backbone. However, these substituents impact structural order and charge transport properties in thin-film devices. As a result, a trade-off must be found between material solubility and insulating alkyl content. It was recently shown that the substitution of furan for thiophene in the backbone of the polymer PDPP2FT significantly improves polymer solubility, allowing for the use of shorter branched side chains while maintaining high device efficiency. In this report, we use PDPP2FT to demonstrate that linear alkyl side chains can be used to promote thin-film nanostructural order. In particular, linear side chains are shown to shorten pi-pi stacking distances between backbones and increase the correlation lengths of both pi-pi stacking and lamellar spacing, leading to a substantial increase in the efficiency of bulk heterojunction solar cells. C1 [Yiu, Alan T.; Beaujuge, Pierre M.; Lee, Olivia P.; Woo, Claire H.; Frechet, Jean M. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Beaujuge, Pierre M.; Lee, Olivia P.; Frechet, Jean M. J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Yiu, Alan T.; Woo, Claire H.; Frechet, Jean M. J.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Beaujuge, Pierre M.; Frechet, Jean M. J.] King Abdullah Univ Sci & Technol, Thuwal 239556900, Saudi Arabia. [Toney, Michael F.] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. RP Frechet, JMJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM jean.frechet@kaust.edu.sa OI Frechet, Jean /0000-0001-6419-0163 FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; Center for Advanced Molecular Photovoltaics (CAMP) [KUS-C1-015-21]; King Abdullah University of Science and Technology (KAUST); Frechet FX This work was supported in part 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, the Center for Advanced Molecular Photovoltaics (CAMP) under Award No. KUS-C1-015-21, supported by King Abdullah University of Science and Technology (KAUST), and the Frechet "various gifts" fund for the support of research in new materials. Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource user facility, operated on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. NR 58 TC 268 Z9 270 U1 10 U2 169 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 FEB 1 PY 2012 VL 134 IS 4 BP 2180 EP 2185 DI 10.1021/ja2089662 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 903AF UT WOS:000301084600055 PM 22191680 ER PT J AU Kareis, CM Lapidus, SH Her, JH Stephens, PW Miller, JS AF Kareis, Christopher M. Lapidus, Saul H. Her, Jae-Hyuk Stephens, Peter W. Miller, Joel S. TI Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[Mn-II(CN)(6)] and Na2MnII[Mn-II(CN)(6)]center dot 2H(2)O SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MOLECULE-BASED MAGNETS; CRYSTAL-STRUCTURES; SOLID-STATE; DEGREES-C; TEMPERATURE; DIFFRACTION; ENHANCEMENT; ANALOGS; PHASES; COBALT AB The aqueous reaction of Mn-II and NaCN leads to the isolation of the 3-D Prussian blue analogue (PBA) Na2Mn[Mn(CN)(6)]center dot 2H(2)O (1 center dot H2O), which under careful dehydration forms 1. 1 center dot H2O is monoclinic [P2(1)/n, a = 10.66744(32) angstrom, b = 7.60223(23) angstrom, c = 7.40713(22) angstrom, beta = 92.4379(28)degrees], while 1 is rhombohedral [R (3) over bar, a = 6.6166(2) angstrom, c = 19.2585(6) angstrom], and both structures are atypical for PBAs, which are typically face centered cubic. Most notably, the average angle Mn-N-C angles are 165.3(3)degrees and 142.4(4)degrees for 1 center dot H2O and 1, respectively, which are significantly reduced from linearity. This is attributed to the ionic nature of high-spin Mn-II accommodating a reduced angle Mn-N-C to minimize void space. Both 1 and 1 center dot H2O magnetically order as ferrimagnets below their ordering temperature, T-c, of 58 and 30 K, respectively, as determined from the average of several independent methods. 1 and 1 center dot H2O are hard magnets with 5 K coercive fields of 15 300 and 850 Oe, and remnant magnetizations of 9075 and 102 emu.Oe/mol, respectively. These data along with previous T-c's reported for related materials reveal that T-c increases as the angle Mn-N-C deviates further from linearity. Hence, the bent cyanide bridges play a crucial role in the superexchange mechanism by increasing the coupling via shorter Mn-II center dot center dot center dot Mn-II separations, and perhaps an enhanced overlap. C1 [Lapidus, Saul H.; Her, Jae-Hyuk; Stephens, Peter W.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Kareis, Christopher M.; Miller, Joel S.] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. [Stephens, Peter W.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RP Stephens, PW (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. EM peter.stephens@sunysb.edu; jsmiller@chem.utah.edu FU Department of Energy Division of Material Science [DE-FG03-93ER45504]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX We appreciate the continued support by the Department of Energy Division of Material Science (Grant No. DE-FG03-93ER45504), and fitting of the magnetic data to the Neel equation by Amber C. McConnell. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 32 TC 22 Z9 22 U1 6 U2 44 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 FEB 1 PY 2012 VL 134 IS 4 BP 2246 EP 2254 DI 10.1021/ja209799y PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 903AF UT WOS:000301084600062 PM 22188009 ER PT J AU Groves, JR Hammond, RH Matias, V DePaula, RF Stan, L Clemens, BM AF Groves, James R. Hammond, Robert H. Matias, Vladimir DePaula, Raymond F. Stan, Liliana Clemens, Bruce M. TI Biaxial texture development in the ion beam assisted deposition of magnesium oxide SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA DE Ion beam assisted deposition; Nucleation and growth; RHEED; Biaxial texture; Magnesium oxide ID THIN-FILMS; MGO; NUCLEATION AB Low-energy ion-beam irradiation (< 1 keV) during the concurrent deposition of cubic oxide materials results in the growth of crystallographically textured thin films. A model system, magnesium oxide (MgO). has been successfully used as a biaxially textured template film for the heteroepitaxial deposition of many materials with texture dependent properties like high temperature superconductors, tunable microwave materials, and ferroelectrics. Here, we present data on the initial nucleation of biaxial crystallographic texture in this model system using an in situ quartz crystal microbalance (QCM) substrate combined with in situ reflected high-energy electron diffraction (RHEED). Correlation of mass uptake with the RHEED images of the growing surface shows that the development of crystallographic biaxial texture in this material system occurs suddenly as the initially polycrystalline MgO films reaches a critical film thickness of 2 nm. This texture continues to improve during subsequent growth. A simple model shows that the effect is not due simply to coverage effects. We use a combination of in situ RHEED and ex situ transmission electron microscopy to further elucidate the mechanism of this sudden texture formation. We present a physical model to describe this behavior and explain the role of ion-to-atom arrival ratio and underlying nucleation surface on texture development. (C) 2011 Elsevier B.V. All rights reserved. C1 [Groves, James R.; Clemens, Bruce M.] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Groves, James R.; Matias, Vladimir; DePaula, Raymond F.; Stan, Liliana] Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. [Hammond, Robert H.] Stanford Univ, Ceballe Lab Adv Mat, Stanford, CA 94305 USA. RP Groves, JR (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. EM jgroves@stanford.edu NR 14 TC 8 Z9 8 U1 1 U2 33 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 FEB 1 PY 2012 VL 272 BP 28 EP 32 DI 10.1016/j.nimb.2011.01.026 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900008 ER PT J AU Karstens, W Smith, DY AF Karstens, W. Smith, D. Y. TI Collective excitations, optical properties and the stopping power of materials SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA DE Stopping power; Ionizing radiation; Energy loss by ions ID CHARACTERISTIC ENERGY-LOSSES; MOVING ELECTRIFIED PARTICLES; CHARGED-PARTICLES; INELASTIC-SCATTERING; PLASMA OSCILLATIONS; FAST ELECTRONS; SOLIDS; METALS; MATTER; ATOMS AB We compare energy loss by ions and photons via electronic excitations in metals, insulators and semiconductors using optical data from synchrotron light-source measurements. The spectra of photon-induced transverse excitations differ markedly from those of longitudinal excitations by ions: photons give up all their energy to a single electronic excitation: charged particles produce a broad spectrum of excitations shifted toward higher energies by collective effects. The widths of these collective-mode resonances in insulators and semiconductors are significantly greater than those in metals reflecting shorter collective-mode lifetimes. (C) 2011 Elsevier B.V. All rights reserved. C1 [Smith, D. Y.] Univ Vermont, Dept Phys, Burlington, VT 05405 USA. [Karstens, W.] St Michaels Coll, Dept Phys, Colchester, VT 05439 USA. [Smith, D. Y.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Smith, DY (reprint author), Univ Vermont, Dept Phys, 82 Univ Pl, Burlington, VT 05405 USA. EM dysmith@uvm.edu NR 64 TC 0 Z9 0 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD FEB 1 PY 2012 VL 272 BP 37 EP 41 DI 10.1016/j.nimb.2011.01.028 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900010 ER PT J AU Myers, MT Sencer, BH Shao, L AF Myers, Michael T. Sencer, Bulent H. Shao, Lin TI Multi-scale modeling of localized heating caused by ion bombardment SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA DE Focused ion beam; Finite element analysis; Monte Carlo ID INDUCED DAMAGE; SILICON AB We have developed a multiscale modeling algorithm to incorporate both a Monte Carlo (MC) ion irradiation simulator and finite element analysis to simulate ion beam heating. The spatial distribution of displacements from the MC code was input into a 3-D FEA code to predict the temperature evolution upon ion bombardment. In order to simulate the flux effect, ions were introduced stochastically. We discuss the necessity to use both grid refinement and grid coarsening techniques to make such modeling possible, thus providing a basis to evaluate the impact on the microstructure of the substrate. The aforementioned approach was applied for the case of a 16 A cm(-2) beam of 6 key Ga+ ions to simulate FIB sample sectioning and thinning in a Si substrate. (C) 2011 Elsevier B.V. All rights reserved. C1 [Myers, Michael T.; Shao, Lin] Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA. [Sencer, Bulent H.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Shao, L (reprint author), Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA. EM lshao@ne.tamu.edu NR 16 TC 6 Z9 6 U1 0 U2 6 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 FEB 1 PY 2012 VL 272 BP 165 EP 168 DI 10.1016/j.nimb.2011.01.057 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900039 ER PT J AU Ye, B Yun, D Oaks, AJ Chen, W Kirk, MA Rest, J Yacout, AM Stubbins, JF AF Ye, B. Yun, D. Oaks, A. J. Chen, W. Kirk, M. A. Rest, J. Yacout, A. M. Stubbins, J. F. TI The effects of xenon implantation in ceria with and without lanthanum SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA ID FUELS; UO2 AB A combination of in situ and ex situ transmission electron microscopy (TEM) experiments was used to study the evolution of defect clusters during implantation of Xe at the energy of 700 key. Xenon has been implanted into CeO2 and Ce/LaO2 single crystal thin films up to doses of 1 x 10(17) ions/cm(2) at room temperature and 600 degrees C. The evolution of microstructure, especially the formation of solid-state precipitates, during irradiation is found to be a function of material composition, irradiation dose and irradiation temperature. The precipitates are either aggregated Xe in the solid state or metallic Ce due to the active redox reaction in CeO2 and Ce/LaO2. Further investigations with the help of X-ray techniques will be carried out in the future. Published by Elsevier B.V. C1 [Ye, B.; Yun, D.; Oaks, A. J.; Chen, W.; Stubbins, J. F.] Univ Illinois, Talbot Lab, Dept Nucl Plasma & Radiol Engn, Urbana, IL 61801 USA. [Yun, D.; Kirk, M. A.; Rest, J.; Yacout, A. M.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Ye, B (reprint author), Univ Illinois, Talbot Lab, Dept Nucl Plasma & Radiol Engn, 104 S Wright St, Urbana, IL 61801 USA. EM evayebei@gmail.com OI Oaks, Aaron/0000-0001-8552-242X NR 7 TC 5 Z9 5 U1 0 U2 11 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 FEB 1 PY 2012 VL 272 BP 236 EP 238 DI 10.1016/j.nimb.2011.01.073 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900055 ER PT J AU Yun, D Ye, B Oaks, AJ Chen, W Kirk, MA Rest, J Yacout, AM Stubbins, JF AF Yun, D. Ye, B. Oaks, A. J. Chen, W. Kirk, M. A. Rest, J. Yacout, A. M. Stubbins, J. F. TI Fission gas transport and its interactions with irradiation-induced defects in lanthanum doped ceria SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA DE Irradiation-induced defect; In situ TEM; Ex situ TEM; CeO2; Xe; Kr ion irradiation; Lanthanum ID CEO2 AB To help understand the mechanisms of irradiation-induced defect formation and evolution in nuclear fuel, systematic experimental efforts have been carried out. Ceria (CeO2) was selected as a surrogate material for Uranium Dioxide (UO2) due to many similar properties. lanthanum (La) was chosen as a dopant in CeO2 to investigate the effect of impurities. The presence of La in the CeO2 lattice introduces a predictable initial concentration of oxygen vacancies, making it possible to characterize hypostoichiometric effects in CeO2. The influence of two La concentrations, 5% and 25%, were examined. In situ Transmission Electron Microscopy (TEM) experiments were used to study the evolution of defect clusters and the influence of irradiation with two common fission products: Xe and Kr. The irradiations were performed on thin film, single crystal materials. The irradiation damage caused formation of dislocation loopsat 600 degrees C and defect clusters at room temperature. Dislocation networks form as the result of interactions of defect clusters. The dislocation loops were determined to be mainly of 1/9[111] interstitial type loops. Quantitative results were obtained to characterize the fluence and temperature effects of irradiation. Slow defect kinetics were found with irradiation on 25% La doped CeO2 at 600 degrees C and it is attributed to the higher concentration of oxygen vacancies due to high La dopant level. Published by Elsevier B.V. C1 [Yun, D.; Kirk, M. A.; Rest, J.; Yacout, A. M.] Argonne Natl Lab, Lemont, IL 60439 USA. [Yun, D.; Ye, B.; Oaks, A. J.; Chen, W.; Stubbins, J. F.] Univ Illinois, Urbana, IL 61820 USA. RP Yun, D (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL 60439 USA. EM diyun@anl.gov RI Yun, Di/K-6441-2013; OI Yun, Di/0000-0002-9767-3214; Oaks, Aaron/0000-0001-8552-242X NR 9 TC 6 Z9 6 U1 0 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 FEB 1 PY 2012 VL 272 BP 239 EP 243 DI 10.1016/j.nimb.2011.01.074 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900056 ER PT J AU Zhang, J Wang, YQ Valdez, JA Tang, M Won, J Sickafus, KE AF Zhang, J. Wang, Y. Q. Valdez, J. A. Tang, M. Won, J. Sickafus, K. E. TI Ion irradiation-induced phase transformations in delta-gamma-beta phases of Sc2O3-ZrO2 mixtures SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA DE Ion irradiation; Phase transformation; Non-stoichiometry; Oxygen vacancy ID NUCLEAR-WASTE; IMMOBILIZATION; PLUTONIUM; ZIRCONIA; OXIDES; FUEL AB The purpose of this study is to investigate the role of stoichiometry in crystalline structure transformations in derivative fluorite compounds known as delta-gamma-beta phases in Sc2O3-ZrO2 phase diagram. Different composition polycrystalline delta-Sc4Zr3O12, gamma-Sc2Zr5O13 and beta-Sc2Zr7O17 samples were synthesized by mixing 40% Sc2O3 + 60% ZrO2, 16.67% Sc2O3 + 83.33% ZrO2, or 12.5% Sc2O3 + 87.5% ZrO2, respectively. The pressed and polished pellets of these compounds were then irradiated under liquid nitrogen temperature with 200 key Ne+ ions at a dose rate of similar to 1 x 10(12) ions/cm(2)/s. An order-to-disorder (O-D) transformation was observed for all compositions, as determined using grazing incidence X-ray diffraction (GIXRD) at an incident angle of 0.25 degrees. The O-D transformation threshold dose for delta-Sc4Zr3O12 (similar to 0.2 dpa) was found to be noticeably higher than that for gamma-Sc2Zr5O13 and beta-Sc2Zr7O17 (similar to 0.04 dpa) based on both GIXRD and cross-sectional transmission electron microscopy (TEM) measurements. However, due to experimental difficulty and uncertainty, our GIXRD and TEM data were unable to conclusively confirm that the O-D transformation threshold dose for gamma-Sc2Zr5O13 is in fact slightly higher than that for beta-Sc2Zr7O17 as expected from the phase diagram of Sc2O3-ZrO2 system. (C) 2011 Elsevier B.V. All rights reserved. C1 [Zhang, J.] Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Gansu, Peoples R China. [Zhang, J.; Wang, Y. Q.; Valdez, J. A.; Tang, M.; Won, J.; Sickafus, K. E.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Zhang, J (reprint author), Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Gansu, Peoples R China. EM jianchng@gmail.com RI Lujan Center, LANL/G-4896-2012; OI won, Jonghan/0000-0002-7612-1322 NR 12 TC 3 Z9 3 U1 0 U2 7 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 FEB 1 PY 2012 VL 272 BP 244 EP 248 DI 10.1016/j.nimb.2011.01.075 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900057 ER PT J AU Naito, M Nakanishi, R Machida, N Shigematsu, T Ishimaru, M Valdez, JA Sickafus, KE AF Naito, Muneyuki Nakanishi, Ryo Machida, Nobuya Shigematsu, Toshihiko Ishimaru, Manabu Valdez, James A. Sickafus, Kurt E. TI Growth of higher manganese suicides from amorphous manganese-silicon layers synthesized by ion implantation SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA DE Silicides; Amorphous; Transmission electron microscopy ID CRYSTAL-STRUCTURE; THIN-LAYERS; SI; SILICIDES; MNSI1.7; PHASE; MN15SI26 AB Atomistic structures of high-fluence Mn ion implanted Si were examined using transmission electron microscopy (TEM). Si(0 0 1) single crystals were irradiated at cryogenic temperature with 120 keV Mn ions to a fluence of 3.0 x 10(17)/cm(2). Cross-sectional TEM observations revealed that an amorphous bilayer consisting of amorphous Mn-Si and amorphous Si is formed on the topmost layer of the Si substrate. Atomic pair-distribution functions extracted from electron diffraction patterns indicated that short-range order of the amorphous Mn-Si thin layer is similar to the local atomic configuration of higher manganese silicides. The amorphous Mn-Si layer crystallized to Mn4Si7 polycrystalline layer by thermal annealing. (C) 2011 Elsevier B.V. All rights reserved. C1 [Naito, Muneyuki; Nakanishi, Ryo; Machida, Nobuya; Shigematsu, Toshihiko] Konan Univ, Dept Chem, Higashinada Ku, Kobe, Hyogo 6588501, Japan. [Ishimaru, Manabu] Osaka Univ, Inst Sci & Ind Res, Ibaraki, Osaka 5670047, Japan. [Valdez, James A.; Sickafus, Kurt E.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Naito, M (reprint author), Konan Univ, Dept Chem, Higashinada Ku, Kobe, Hyogo 6588501, Japan. EM naito22@center.konan-u.ac.jp NR 23 TC 7 Z9 7 U1 0 U2 6 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 FEB 1 PY 2012 VL 272 BP 446 EP 449 DI 10.1016/j.nimb.2011.01.120 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900103 ER PT J AU Bulanov, SS Maksimchuk, A Schroeder, CB Zhidkov, AG Esarey, E Leemans, WP AF Bulanov, S. S. Maksimchuk, A. Schroeder, C. B. Zhidkov, A. G. Esarey, E. Leemans, W. P. TI Relativistic spherical plasma waves SO PHYSICS OF PLASMAS LA English DT Article ID WAKE-FIELD ACCELERATION; COLLIDING LASER-PULSES; ELECTRON-BEAMS; SELF-INJECTION; DENSITY; GENERATION; BREAKING AB Tightly focused laser pulses that diverge or converge in underdense plasma can generate wake waves, having local structures that are spherical waves. Here we study theoretically and numerically relativistic spherical wake waves and their properties, including wave breaking. (C) 2012 American Institute of Physics. [doi:10.1063/1.3683001] C1 [Bulanov, S. S.; Leemans, W. P.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Maksimchuk, A.] Univ Michigan, Ctr Ultrafast Opt Sci, Ann Arbor, MI 48109 USA. [Schroeder, C. B.; Esarey, E.; Leemans, W. P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Zhidkov, A. G.] Osaka Univ, Suita, Osaka 5650871, Japan. RP Bulanov, SS (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. OI Schroeder, Carl/0000-0002-9610-0166 FU NSF [PHY-0935197]; FOCUS Center at the University of Michigan; Office of Science of the US DOE [DE-AC02-05CH11231] FX We thank G. Mourou and S. Wilks for discussions and T. Zh. Esirkepov for providing REMP code for simulations. We appreciate support from the NSF under Grant No. PHY-0935197, the FOCUS Center at the University of Michigan, and the Office of Science of the US DOE under Contract No. DE-AC02-05CH11231 NR 48 TC 6 Z9 6 U1 0 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 020702 DI 10.1063/1.3683001 PG 4 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800003 ER PT J AU Dimits, AM AF Dimits, Andris M. TI Gyrokinetic equations for strong-gradient regions SO PHYSICS OF PLASMAS LA English DT Article ID GENERAL PLASMA EQUILIBRIA; TURBULENCE SIMULATIONS; PARTICLE SIMULATION; TRANSPORT BARRIERS; DRIVEN TURBULENCE; TOKAMAK; STABILITY AB A gyrokinetic theory is developed under a set of orderings applicable to the edge region of tokamaks and other magnetic confinement devices, as well as to internal transport barriers. The result is a practical set equations that is valid for large perturbation amplitudes [q delta psi/T = O(1), where delta psi = delta phi - nu(parallel to)delta A(parallel to)/c], which is straightforward to implement numerically, and which has straightforward expressions for its conservation properties. Here, delta phi and delta A(parallel to) are the perturbed electrostatic and parallel magnetic potentials, nu(parallel to) is the particle velocity, c is the speed of light, and T is the temperature. The derivation is based on the quantity epsilon (rho/lambda(perpendicular to))q delta psi/T << 1 as the small expansion parameter, where rho is the gyroradius and lambda(perpendicular to) is the perpendicular wavelength. Physically, this ordering requires that the E x B velocity and the component of the parallel velocity perpendicular to the equilibrium magnetic field are small compared to the thermal velocity. For nonlinear fluctuations saturated at "mixing-length" levels (i.e., at a level such that driving gradients in profile quantities are locally flattened), epsilon is of the order rho/L-p, where L-p is the equilibrium profile scale length, for all scales lambda(perpendicular to) ranging from rho to L-p. This is true even though q delta psi/T = O(1) for). lambda(perpendicular to) similar to L-p. Significant additional simplifications result from ordering L-p/L-B = O(epsilon), where L-B is the spatial scale of variation of the magnetic field. We argue that these orderings are well satisfied in strong-gradient regions, such as edge and scrapeoff layer regions and internal transport barriers in tokamaks, and anticipate that our equations will be useful as a basis for simulation models for these regions. (C) 2012 American Institute of Physics. [doi:10.1063/1.3683000] C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Dimits, AM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM dimits1@llnl.gov FU U.S. DOE by LLNL [DE-AC52-07NA27344] FX The author wishes to acknowledge useful discussions with and suggestions from I. Calvo, J. Candy, P. Catto, B. Cohen, R. Cohen, M. Dorf, D. Ernst, G. Hammett, J. Krommes, F. Parra, T. Rognlien, R. Waltz, and X. Q. Xu. This work was performed for U.S. DOE by LLNL under Contract DE-AC52-07NA27344, and is a part of the ESL. NR 34 TC 5 Z9 5 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022504 DI 10.1063/1.3683000 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800026 ER PT J AU Gourdain, PA Greenly, JB Hammer, DA Kusse, BR Pikuz, SA Seyler, CE Shelkovenko, TC Knapp, PF AF Gourdain, P. -A. Greenly, J. B. Hammer, D. A. Kusse, B. R. Pikuz, S. A. Seyler, C. E. Shelkovenko, T. C. Knapp, P. F. TI Magnetohydrodynamic instabilities in radial foil configurations SO PHYSICS OF PLASMAS LA English DT Article ID PINCH AB While detrimental to plasma performance, magnetohydrodynamic plasma instabilities in radial foil configurations do not preclude intense x-ray radiations from the central plasma column. At most of the plasma current flows there, the column pinches generating x-rays. However, pinch comes with a kink instability which twists the column and prevents homogeneous compression. This instability leads to the disruption of the plasma bubble surrounding the central plasma column. Loss of symmetry in the resulting plasma expansion has been recorded. It is possible to reduce the impact of instabilities by increasing the initial plasma mass. The central column can also be stabilized by using a central rod, delaying the formation of the kink. (C) 2012 American Institute of Physics. [doi:10.1063/1.36778871 C1 [Gourdain, P. -A.; Greenly, J. B.; Hammer, D. A.; Kusse, B. R.; Pikuz, S. A.; Seyler, C. E.; Shelkovenko, T. C.] Cornell Univ, Plasma Studies Lab, Ithaca, NY 14853 USA. [Knapp, P. F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Gourdain, PA (reprint author), Cornell Univ, Plasma Studies Lab, Ithaca, NY 14853 USA. EM gourdain@cornell.edu RI Pikuz, Sergey/M-8231-2015; Shelkovenko, Tatiana/M-8254-2015 FU National Nuclear Security Administration under NNSA/DOE [DE-FC52-06NA 00057]; NSF [PHY-1102471] FX This research was supported by the Stewardship Sciences Academic Alliances program of the National Nuclear Security Administration under NNSA/DOE Grant Cooperative Agreement # DE-FC52-06NA 00057 and by the NSF Grant # PHY-1102471. NR 16 TC 6 Z9 6 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022701 DI 10.1063/1.3677887 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800031 ER PT J AU Grisham, LR von Halle, A Carpe, AF Rossi, G Gilton, KR McBride, ED Gilson, EP Stepanov, A Stevenson, TN AF Grisham, L. R. von Halle, A. Carpe, A. F. Rossi, Guy Gilton, K. R. McBride, E. D. Gilson, E. P. Stepanov, A. Stevenson, T. N. TI Exploratory test of utility of magnetic insulation for electrostatic accelerators SO PHYSICS OF PLASMAS LA English DT Article ID BACTERIAL-SPORES; CONDUCTIVITY; EMISSION; VACUUM AB A recent paper [L. R. Grisham, Phys. Plasmas 16, 043111 (2009)] proposed that a magnetic field which enveloped each of the electrodes in an electrostatic accelerator, along with their support structures, might suppress field emission of electrons and thus allows a higher electric field gradient to be applied between accelerator stages without the onset of vacuum electrical breakdown. Such a magnetic field configuration might be produced by flowing a substantial electric current through each accelerator grid and its support from high current low voltage supplies floated at each accelerator grid potential. This experimental note reports a preliminary exploratory test of whether this magnetic insulation approach might be of benefit at a modest magnetic field strength which could be suitable for practical accelerator applications. This experiment did not find evidence for an increase of the electrostatic potential gradient which could be sustained across a vacuum gap when the cathodic (electron-emitting) electrode was enveloped in a magnetic field of about 240 G. This note discusses a number of possible explanations for this observation as well as the inherent limitations of the experiment. (C) 2012 American Institute of Physics. [doi:10.1063/1.3683554] C1 [Grisham, L. R.; von Halle, A.; Carpe, A. F.; Rossi, Guy; Gilton, K. R.; McBride, E. D.; Gilson, E. P.; Stepanov, A.; Stevenson, T. N.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Grisham, LR (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM lgrisham@pppl.gov FU U.S. DOE [DE-AC02-09CH11466] FX This research was supported by U.S. DOE Contract No. DE-AC02-09CH11466. NR 18 TC 1 Z9 1 U1 2 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 023107 DI 10.1063/1.3683554 PG 5 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800048 ER PT J AU Griswold, ME Fisch, NJ Wurtele, JS AF Griswold, M. E. Fisch, N. J. Wurtele, J. S. TI Amended conjecture on an upper bound to time-dependent space-charge limited current SO PHYSICS OF PLASMAS LA English DT Article ID ONE-DIMENSIONAL DIODE; CHILD-LANGMUIR LAW; VACUUM; FLOW AB Notwithstanding the recent conjecture that the upper bound on the time-averaged current across a space-charge-limited diode is equal to the steady state Child-Langmuir limit (J(CL)), Zhu and Ang used a one-dimensional (ID) particle in cell (PIC) code to show that in the regime where space charge effects limit the current to only a few electrons at a time, the time-averaged current can exceed J(CL) by up to 13% [Y. Zhu and L. K. Ang, Appl. Phys. Lett. 98, 051502 (2011)]. These results are, in fact, verified using our own 1D PIC code. However, the increase in the current is due to special boundary conditions that pertain in this regime and not to the time dependence of the current. To rule out discreteness effects, the conjecture on the upper bound may be reformulated to include only the case when the electric field at the cathode does not fall below zero. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3671961] C1 [Griswold, M. E.; Fisch, N. J.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Wurtele, J. S.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Griswold, ME (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI wurtele, Jonathan/J-6278-2016 OI wurtele, Jonathan/0000-0001-8401-0297 FU DOE [DE-AC02-09CH11466] FX This work was supported by DOE Contract No. DE-AC02-09CH11466. M. E. Griswold was supported by a Department of Energy Fusion Energy Sciences fellowship. NR 16 TC 9 Z9 9 U1 0 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 024502 DI 10.1063/1.3671961 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800076 ER PT J AU Guttenfelder, W Candy, J Kaye, SM Nevins, WM Bell, RE Hammett, GW LeBlanc, BP Yuh, H AF Guttenfelder, W. Candy, J. Kaye, S. M. Nevins, W. M. Bell, R. E. Hammett, G. W. LeBlanc, B. P. Yuh, H. TI Scaling of linear microtearing stability for a high collisionality National Spherical Torus Experiment discharge SO PHYSICS OF PLASMAS LA English DT Article ID M TEARING MODES; KINETIC-THEORY; INSTABILITIES; TRANSPORT; GRADIENT; TOKAMAK; CONFINEMENT; EQUILIBRIUM; NSTX AB Linear gyrokinetic simulations are performed based on a high colt isionality NSTX discharge that is part of dimensionless confinement scaling studies. In this discharge, the microtearing mode is predicted to be unstable over a significant region of the plasma (r/a = 0.5-0.8), motivating comprehensive tests to verify the nature of the mode and how it scales with physical parameters. The mode is found to be destabilized with sufficient electron temperature gradient, collisionality, and beta, consistent with previous findings and simple theoretical expectations. Consistent with early slab theories, growth rates peak at a finite ratio of electron-ion collision frequency over mode frequency, nu(e/i)/omega similar to 1-6. Below this peak, the mode growth rate decreases with reduced collisionality, qualitatively consistent with global confinement observations. Also, in this region, increased effective ionic charge (Z(eff)) is found to be destabilizing. Experimental electron beta and temperature gradients are two to three times larger than the inferred linear thresholds. Increasing magnetic shear (s) and decreasing safety factor (q) are both destabilizing for ratios around the experimental values s/q = 0.6-1.3. Both the Z(eff) and s/q scaling are opposite to those expected for the ETG instability offering an opportunity to experimentally distinguish the two modes. Finally, we note that the kinetic ballooning mode is found to compete with the microtearing mode at outer locations r/a >= 0.8. [doi:10.1063/1.3685698] C1 [Guttenfelder, W.; Kaye, S. M.; Bell, R. E.; Hammett, G. W.; LeBlanc, B. P.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Candy, J.] Gen Atom Co, San Diego, CA 92186 USA. [Nevins, W. M.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Yuh, H.] Nova Photon Inc, Princeton, NJ 08540 USA. RP Guttenfelder, W (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI Hammett, Gregory/D-1365-2011 OI Hammett, Gregory/0000-0003-1495-6647 FU DOE [DE-AC02-09CH11466, DE-FG03-95ER54309, DE-AC52-07NA27344] FX We acknowledge useful discussions with S. P. Gerhardt, J. E. Menard, D. R. Mikkelsen, J. L. Peterson, and Y. Ren. This work was supported by DOE Contract Nos. DE-AC02-09CH11466, DE-FG03-95ER54309, and DE-AC52-07NA27344. NR 56 TC 25 Z9 25 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022506 DI 10.1063/1.3685698 PG 11 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800028 ER PT J AU King, JD La Haye, RJ Petty, CC Osborne, TH Lasnier, CJ Groebner, RJ Volpe, FA Lanctot, MJ Makowski, MA Holcomb, CT Solomon, WM Allen, SL Luce, TC Austin, ME Meyer, WH Morse, EC AF King, J. D. La Haye, R. J. Petty, C. C. Osborne, T. H. Lasnier, C. J. Groebner, R. J. Volpe, F. A. Lanctot, M. J. Makowski, M. A. Holcomb, C. T. Solomon, W. M. Allen, S. L. Luce, T. C. Austin, M. E. Meyer, W. H. Morse, E. C. TI Hybrid-like 2/1 flux-pumping and magnetic island evolution due to edge localized mode-neoclassical tearing mode coupling in DIII-D SO PHYSICS OF PLASMAS LA English DT Article ID CYCLOTRON CURRENT DRIVE; D TOKAMAK; PERFORMANCE; STABILIZATION; DISCHARGES; POLARIMETRY; PREVENTION; SCENARIO; UPGRADE; ITER AB Direct analysis of internal magnetic field pitch angles measured using the motional Stark effect diagnostic shows m/n = 2/1 neoclassical tearing modes exhibit stronger poloidal magnetic flux-pumping than typical hybrids containing m/n = 3/2 modes. This flux-pumping causes the avoidance of sawteeth, and is present during partial electron cyclotron current drive suppression of the tearing mode. This finding could lead to hybrid discharges with higher normalized fusion performance at lower q(95). The degree of edge localized mode-neoclassical tearing mode (ELM-NTM) coupling and the strength of flux-pumping increase with beta and the proximity of the modes to the ELMing pedestal. Flux-pumping appears independent of magnetic island width. Individual ELM-NTM coupling events show a rapid timescale drop in the island width followed by a resistive recovery that is successfully modeled using the modified Rutherford equation. The fast transient drop in island width increases with ELM size. (C) 2012 American Institute of Physics. [doi :10.1063/1.3684648] C1 [King, J. D.; Lasnier, C. J.; Lanctot, M. J.; Makowski, M. A.; Holcomb, C. T.; Allen, S. L.; Meyer, W. H.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [King, J. D.; Morse, E. C.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [La Haye, R. J.; Petty, C. C.; Osborne, T. H.; Groebner, R. J.; Luce, T. C.] Gen Atom Co, San Diego, CA 92186 USA. [Volpe, F. A.] Univ Wisconsin, Madison, WI 53715 USA. [Solomon, W. M.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Austin, M. E.] Univ Texas Austin, Austin, TX 78712 USA. RP King, JD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RI Volpe, Francesco/D-2994-2009; Lanctot, Matthew J/O-4979-2016; OI Volpe, Francesco/0000-0002-7193-7090; Lanctot, Matthew J/0000-0002-7396-3372; Solomon, Wayne/0000-0002-0902-9876 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; USDOE [DE-FG03-89ER51116, DE-FC02-04ER54698, DE-FG02-92ER54139, DE-FG03-97ER54415] FX This work was preformed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Grant No. DE-AC52-07NA27344 and in part by the USDOE under DE-FG03-89ER51116, DE-FC02-04ER54698, DE-FG02-92ER54139, and DE-FG03-97ER54415. NR 35 TC 1 Z9 1 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022503 DI 10.1063/1.3684648 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800025 ER PT J AU Liu, YH Drake, JF Swisdak, M AF Liu, Yi-Hsin Drake, J. F. Swisdak, M. TI The structure of the magnetic reconnection exhaust boundary SO PHYSICS OF PLASMAS LA English DT Article ID ANOMALOUS SLOW SHOCKS; MAGNETOTAIL RECONNECTION; KINETIC STRUCTURE; ION DYNAMICS; SOLAR-WIND; COLLISIONLESS; PLASMAS; LAYER; MAGNETOPAUSE; SIMULATIONS AB The structure of shocks that form at the exhaust boundaries during collisionless reconnection of anti-parallel fields is studied using particle-in-cell (PIC) simulations and modeling based on the an isotropic magnetohydrodynamic equations. Large-scale PIC simulations of reconnection and companion Riemann simulations of shock development demonstrate that the pressure anisotropy produced by counterstreaming ions within the exhaust prevents the development of classical Petschek switch-off-slow shocks (SSS). The shock structure that does develop is controlled by the firehose stability parameter epsilon = 1 - mu(0) (P-parallel to-P-perpendicular to)/B-2 through its influence on the speed order of the intermediate and slow waves. Here, P-parallel to and P-perpendicular to are the pressure parallel and perpendicular to the local magnetic field. The exhaust boundary is made up of a series of two shocks and a rotational wave. The first shock takes epsilon from unity upstream to a plateau of 0.25 downstream. The condition epsilon = 0.25 is special because at this value, the speeds of nonlinear slow and intermediate waves are degenerate. The second slow shock leaves epsilon = 0.25 unchanged but further reduces the amplitude of the reconnecting magnetic field. Finally, in the core of the exhaust, epsilon drops further and the transition is completed by a rotation of the reconnecting field into the out-of-plane direction. The acceleration of the exhaust takes place across the two slow shocks but not during the final rotation. The result is that the outflow speed falls below that expected from the Walen condition based on the asymptotic magnetic field. A simple analytic expression is given for the critical value of epsilon within the exhaust below which SSSs no longer bound the reconnection outflow. [doi:10.1063/1.3685755] C1 [Liu, Yi-Hsin] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Drake, J. F.; Swisdak, M.] Univ Maryland, College Pk, MD 20742 USA. RP Liu, YH (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI NASA MMS, Science Team/J-5393-2013 OI NASA MMS, Science Team/0000-0002-9504-5214 FU NASA [NNX08AV87G, NNX09A102G]; DOE/NSF FX After submitting this paper, we became aware that Higashimori and Hoshino have also discussed the importance of the temperature anisotropy in the formation of slow shock in large reconnection simulations in a hybrid code.32 Y.-H.L. acknowledges helpful discussions with W. Daughton, H. Karimabadi, and H. Li. This work was supported in part by NASA Grant Nos. NNX08AV87G and NNX09A102G, NASA's Heliophysics Theory Program, and a Grant from the DOE/NSF partnership in basic plasma physics. Computations were carried out at the National Energy Research Scientific Computing Center. NR 35 TC 28 Z9 28 U1 1 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022110 DI 10.1063/1.3685755 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800015 ER PT J AU Malkin, VM Toroker, Z Fisch, NJ AF Malkin, V. M. Toroker, Z. Fisch, N. J. TI Laser duration and intensity limits in plasma backward Raman amplifiers SO PHYSICS OF PLASMAS LA English DT Article ID PULSE-PROPAGATION; AMPLIFICATION; COMPRESSION; SCATTERING AB The shortest duration and the largest non-focused intensity of laser pulses produced by means of backward Raman amplification (BRA) in plasmas are calculated. These limits occur in moderately undercritical plasmas and are imposed by combined effects of moderately small group velocity dispersion and relativistic electron nonlinearity of the amplified pulses. The efficient BRA range covered by this theory is broader than one known previously. This can be useful for BRA of x-ray pulses in regular or compressed solids and ultra-powerful optical pulses in the lowest density solids. (C) 2012 American Institute of Physics. [doi :10.1063/1.3683558] C1 [Malkin, V. M.; Fisch, N. J.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08540 USA. [Toroker, Z.; Fisch, N. J.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Malkin, VM (reprint author), Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08540 USA. FU NNSA SSAA through DOE [DE274-FG52-08NA28553] FX This work was supported through the NNSA SSAA Program through DOE Research Grant No. DE274-FG52-08NA28553. NR 29 TC 16 Z9 16 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 023109 DI 10.1063/1.3683558 PG 5 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800050 ER PT J AU Myatt, JF Zhang, J Delettrez, JA Maximov, AV Short, RW Seka, W Edgell, DH DuBois, DF Russell, DA Vu, HX AF Myatt, J. F. Zhang, J. Delettrez, J. A. Maximov, A. V. Short, R. W. Seka, W. Edgell, D. H. DuBois, D. F. Russell, D. A. Vu, H. X. TI The dynamics of hot-electron heating in direct-drive-implosion experiments caused by two-plasmon-decay instability SO PHYSICS OF PLASMAS LA English DT Article ID PLASMON DECAY INSTABILITY; INHOMOGENEOUS-PLASMA; PARAMETRIC-INSTABILITIES; SATURATION; PARTICLE; TURBULENCE; SPACE; MODES AB Two-plasmon-decay (TPD) instability is identified as a potential source of target preheat in direct-drive-implosion experiments on OMEGA. A physical model of electron heating is developed that relies on extended Zakharov simulations to predict the nonlinearly saturated Langmuir wave spectrum. Hot electron generation is estimated via a test-particle approach. It is noted that because of the relatively low areal density of the targets during the time of TPD instability, hot-electron recirculation and reheating are potentially important effects. This is modeled by a particular form of boundary conditions on the test particles. Such boundary conditions might prove useful in other kinetic simulations of particle heating where recirculation is a possibility. (C) 2012 American Institute of Physics. [doi:10.1063/1.3683004] C1 [Myatt, J. F.; Zhang, J.; Delettrez, J. A.; Maximov, A. V.; Short, R. W.; Seka, W.; Edgell, D. H.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [DuBois, D. F.; Russell, D. A.] Lodestar Res Corp, Boulder, CO 80301 USA. [Vu, H. X.] Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. [Zhang, J.] Univ Rochester, Dept Mech Engn, Rochester, NY 14627 USA. [DuBois, D. F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Myatt, JF (reprint author), Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA. RI Lujan Center, LANL/G-4896-2012 FU U.S. Department of Energy Office of Inertial Confinement Fusion [DE-FC52-08NA28302]; National Nuclear Security Agency through its High-Energy Density Laboratory Plasmas [DE-FG52-09NA29545] FX This work was supported by the U.S. Department of Energy Office of Inertial Confinement Fusion under Cooperative Agreement No. DE-FC52-08NA28302 and by the National Nuclear Security Agency through its High-Energy Density Laboratory Plasmas Grant No. DE-FG52-09NA29545. NR 48 TC 19 Z9 19 U1 2 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022707 DI 10.1063/1.3683004 PG 12 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800037 ER PT J AU Zhang, P Lau, YY Rittersdort, IM Weis, MR Gilgenbach, RM Chalenski, D Slutz, SA AF Zhang, Peng Lau, Y. Y. Rittersdort, I. M. Weis, M. R. Gilgenbach, R. M. Chalenski, D. Slutz, S. A. TI Effects of magnetic shear on magneto-Rayleigh-Taylor instability SO PHYSICS OF PLASMAS LA English DT Article ID DYNAMIC-Z-PINCHES; HYDRODYNAMIC INSTABILITIES; THETA-PINCHES; SHELL; SIMULATIONS; STABILITY AB The magnetized liner inertial fusion concept [S. A. Slutz et al., Phys. Plasmas 17, 056303 (2010)] consists of a cylindrical metal liner enclosing a preheated plasma that is embedded in an axial magnetic field. Because of its diffusion into the liner, the pulsed azimuthal magnetic field may exhibit a strong magnetic shear within the liner, offering the interesting possibility of shear stabilization of the magneto-Rayleigh-Taylor (MRT) instability. Here, we use the ideal MHD model to study this effect of magnetic shear in a finite slab. It is found that magnetic shear reduces the MRT growth rate in general. The feedthrough factor is virtually independent of magnetic shear. In the limit of infinite magnetic shear, all MRT modes are stable if b(u) > 1, where b(u) is the ratio of the perturbed magnetic tension in the liner's interior region to the acceleration during implosion. (C) 2012 American Institute of Physics. [doi:10.1063/1.3680646] C1 [Zhang, Peng; Lau, Y. Y.; Rittersdort, I. M.; Weis, M. R.; Gilgenbach, R. M.; Chalenski, D.] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. [Slutz, S. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Zhang, P (reprint author), Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. EM yylau@umich.edu RI Zhang, Peng/C-8257-2011 OI Zhang, Peng/0000-0003-0606-6855 FU DoE [DE-SC0002590]; NSF [PHY 0903340]; US DoE through Sandia National Labs [240985, 76822]; US DoE's NNSA [DE-AC04-94AL85000] FX We acknowledge fruitful discussions with Dan Sinars, Mike Cuneo, Mark Herrmann, Sasha Velikovich, and Dimitri Ryutov. This work was supported by DoE award number DE-SC0002590, NSF grant number PHY 0903340, and by US DoE through Sandia National Labs award numbers 240985 and 76822 to the U of Michigan. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US DoE's NNSA under Contract DE-AC04-94AL85000. NR 36 TC 13 Z9 13 U1 1 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022703 DI 10.1063/1.3680646 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800033 ER PT J AU Adaniya, H Slaughter, DS Osipov, T Weber, T Belkacem, A AF Adaniya, H. Slaughter, D. S. Osipov, T. Weber, T. Belkacem, A. TI A momentum imaging microscope for dissociative electron attachment SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID NEGATIVE-ION FORMATION; ANGULAR DISTRIBUTION; CROSS-SECTIONS; ENERGY; WATER; H2O; IONIZATION; EXCITATION; DEPENDENCE; OXYGEN AB We describe an experimental approach to image the three-dimensional (3D) momentum distribution of the negative ions arising from dissociative electron attachment (DEA). The experimental apparatus employs a low energy pulsed electron gun, an effusive gas source and a 4 pi solid-angle ion momentum imaging spectrometer consisting of a pulsed ion extraction field, an electrostatic lens, and a time- and position-sensitive detector. The time-of-Flight and impact position of each negative ion are measured event by event in order to image the full 3D ion momentum sphere. The system performance is tested by measuring the anion momentum distributions from two DEA resonances, namely H- from H2O- (B-2(1))and O- from O-2(-) ((2)Pi(u)). The results are compared with existing experimental and theoretical data. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3685244] C1 [Adaniya, H.; Slaughter, D. S.; Osipov, T.; Weber, T.; Belkacem, A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Adaniya, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM ABelkacem@lbl.gov RI Weber, Thorsten/K-2586-2013 OI Weber, Thorsten/0000-0003-3756-2704 FU U.S. Department of Energy (DOE) by LBNL [DE-AC02-05CH11231]; DOE Office of Basic Energy Sciences, Division of Chemical Science FX This work was performed under the auspices of the U.S. Department of Energy (DOE) by LBNL under Contract No. DE-AC02-05CH11231 and was supported by the DOE Office of Basic Energy Sciences, Division of Chemical Science. NR 47 TC 11 Z9 11 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 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023106 DI 10.1063/1.3685244 PN 1 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600009 PM 22380078 ER PT J AU Dolan, DH Ao, T Hernandez, O AF Dolan, D. H. Ao, T. Hernandez, O. TI Note: Frequency-conversion photonic Doppler velocimetry with an inverted circulator SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB Photonic Doppler velocimetry (PDV) is a fiber-based interferometer used in dynamic compression research. Conventional PDV systems are simple to construct but do not perform well in all measurement conditions, while universal PDV systems that support many different configurations are complex and expensive. A simpler approach is the use of external, inverted circulators which can be added and removed in a modular fashion. This technique permits frequency-conversion measurements with a conventional PDV system. Using a correction to remove baseline effects, frequency conversion systems can resolve low velocity transients that conventional PDV cannot. 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3688851] C1 [Dolan, D. H.; Ao, T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Hernandez, O.] Univ Texas El Paso, El Paso, TX 79968 USA. RP Dolan, DH (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM dhdolan@sandia.gov FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Tom Thornhill for his assistance with the impact experiment at the STAR facility. The external frequency-conversion PDV prototype and later system revisions were built by Scott Walker. Jason Podsednik and Brook Jilek provided many useful discussions on fiber circulators and combiners. 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. NR 10 TC 6 Z9 6 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 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 026109 DI 10.1063/1.3688851 PN 1 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600075 PM 22380143 ER PT J AU Kelly, JF Sams, RL Blake, TA Newburn, M Moran, J Alexander, ML Kreuzer, H AF Kelly, J. F. Sams, R. L. Blake, T. A. Newburn, M. Moran, J. Alexander, M. L. Kreuzer, H. TI A capillary absorption spectrometer for stable carbon isotope ratio (C-13/C-12) analysis in very small samples SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID QUANTUM CASCADE LASER; GLASS WAVE-GUIDES; 4.3 MU-M; MASS-SPECTROMETRY; HIGH-PRECISION; FIELD-MEASUREMENTS; DIODE-LASERS; SPECTROSCOPY; CO2; DIOXIDE AB A capillary absorption spectrometer (CAS) suitable for IR laser isotope analysis of small CO2 samples is presented. The system employs a continuous-wave (cw) quantum cascade laser to study nearly adjacent rovibrational transitions of different isotopologues of CO2 near 2307 cm(-1) (4.34 mu m). This initial CAS system can achieve relative isotopic precision of about 10 ppm C-13, or similar to 1 parts per thousand (per mil in delta notation relative to Vienna Pee Dee Belemnite) with 20-100 picomoles of entrained sample within the hollow waveguide for CO2 concentrations similar to 400-750 ppm. Isotopic analyses of such gas fills in a 1-mm ID hollow waveguide of 0.8 m overall physical path length can be carried out down to similar to 2 Torr. Overall C-13/C-12 ratios can be calibrated to similar to 2 parts per thousand accuracy with diluted CO2 standards. A novel, low-cost method to reduce cw-fringing noise resulting from multipath distortions in the hollow waveguide is presented, which allows weak absorbance features to be studied at the few ppm level (peak-to-rms) after 1000 scans are co-added in similar to 10 s. The CAS is meant to work directly with converted CO2 samples from a laser ablation-catalytic combustion micro-sampler to provide C-13/C-12 ratios of small biological isolates currently operating with spatial resolutions similar to 50 mu m. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3680593] C1 [Kelly, J. F.; Sams, R. L.; Blake, T. A.; Newburn, M.; Moran, J.; Alexander, M. L.; Kreuzer, H.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kelly, JF (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jfk@pnnl.gov OI Moran, James/0000-0001-9081-9017 FU Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory; Unites States Department of Energy by Battelle [DE-AC06-76RLO 1830]; PNNL Laboratory as part of the Microbial Communities Initiative (MCI); W. R. Wiley Environmental Molecular Sciences Laboratory FX This research was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory. Pacific Northwest National Laboratory is operated for the Unites States Department of Energy by Battelle under Contract No. DE-AC06-76RLO 1830. Funding was provided by the PNNL Laboratory Directed Research and Development program as part of the Microbial Communities Initiative (MCI) and by the W. R. Wiley Environmental Molecular Sciences Laboratory as part of a partner proposal with the MCI. NR 51 TC 3 Z9 3 U1 3 U2 21 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023101 DI 10.1063/1.3680593 PN 1 PG 14 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600004 PM 22380073 ER PT J AU Mattern, BA Seidler, GT Haave, M Pacold, JI Gordon, RA Planillo, J Quintana, J Rusthoven, B AF Mattern, B. A. Seidler, G. T. Haave, M. Pacold, J. I. Gordon, R. A. Planillo, J. Quintana, J. Rusthoven, B. TI A plastic miniature x-ray emission spectrometer based on the cylindrical von Hamos geometry SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID FLUORESCENCE SPECTROMETRY; ATOMIC SPECTROMETRY; LOWER MANTLE; SPIN TRANSITION; SPECTROSCOPY; CRYSTAL; ABSORPTION; SCATTERING; ANALYZER; UPDATE AB We present a short working distance miniature x-ray emission spectrometer (miniXES) based on the cylindrical von Hamos geometry. We describe the general design principles for the spectrometer and detail a specific implementation that covers K beta and valence level emission from Fe. Large spatial and angular access to the sample region provides compatibility with environmental chambers, microprobe, and pump/probe measurements. The primary spectrometer structure and optic is plastic, printed using a 3-dimensional rapid-prototype machine. The spectrometer is inexpensive to construct and is portable; it can be quickly set up at any focused beamline with a tunable narrow bandwidth monochromator. The sample clearance is over 27 mm, providing compatibility with a variety of environment chambers. An overview is also given of the calibration and data processing procedures, which are implemented by a multiplatform user-friendly software package. Finally, representative measurements are presented. Background levels are below the level of the K beta(2,5) valence emission, the weakest diagram line in the system, and photometric analysis of count rates finds that the instrument is performing at the theoretical limit. (C) 2012 American Institute of Physics. [doi:10.1063/1.3680598] C1 [Mattern, B. A.; Seidler, G. T.; Haave, M.; Pacold, J. I.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Gordon, R. A.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Planillo, J.] Rensselaer Polytech Inst, Dept Phys, Troy, NY 12180 USA. [Quintana, J.; Rusthoven, B.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Mattern, BA (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. EM seidler@uw.edu RI Seidler, Gerald/I-6974-2012; OI Pacold, Joseph/0000-0002-4697-5896 FU U.S. Department of Energy (DOE), Basic Energy Sciences [DE-SC0002194]; NSERC; University of Washington; Simon Fraser University; Advanced Photon Source; U.S. DOE [DE-AC02-06CH11357] FX G.T.S. acknowledges support of this research program by the U.S. Department of Energy (DOE), Basic Energy Sciences, under award DE-SC0002194. PNC/XSD 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 resources support grant from NSERC, the University of Washington, Simon Fraser University, and the Advanced Photon Source. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 63 TC 23 Z9 23 U1 2 U2 17 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023901 DI 10.1063/1.3680598 PN 1 PG 9 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600033 PM 22380101 ER PT J AU Reininger, R Hulbert, SL Johnson, PD Sadowski, JT Starr, DE Chubar, O Valla, T Vescovo, E AF Reininger, R. Hulbert, S. L. Johnson, P. D. Sadowski, J. T. Starr, D. E. Chubar, O. Valla, T. Vescovo, E. TI The electron spectro-microscopy beamline at National Synchrotron Light Source II: A wide photon energy range, micro-focusing beamline for photoelectron spectro-microscopies SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID AMBIENT-PRESSURE; PHOTOEMISSION; NM AB A comprehensive optical design for a high-resolution, high-flux, wide-energy range, micro-focused beamline working in the vacuum ultraviolet and soft x-ray photon energy range is proposed. The beamline is to provide monochromatic radiation to three photoelectron microscopes: a full-field x-ray photoelectron emission microscope and two scanning instruments, one dedicated to angle resolved photoemission spectroscopy (mu-ARPES) and one for ambient pressure x-ray photoelectron spectroscopy and scanning photoelectron microscopy (AP-XPS/SPEM). Microfocusing is achieved with state of the art elliptical cylinders, obtaining a spot size of 1 mu m for ARPES and 0.5 mu m for AP-XPS/SPEM. A detailed ray tracing analysis quantitatively evaluates the overall beamline performances. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3681440] C1 [Reininger, R.; Hulbert, S. L.; Chubar, O.; Vescovo, E.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Johnson, P. D.; Valla, T.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. [Sadowski, J. T.; Starr, D. E.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Reininger, R (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RI Chubar, Oleg/B-6286-2014; OI Sadowski, Jerzy/0000-0002-4365-7796 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The National Synchrotron Light Source and the Center for Functional Nanomaterials, Brookhaven National Laboratory, are supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 25 TC 2 Z9 2 U1 4 U2 47 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023102 DI 10.1063/1.3681440 PN 1 PG 8 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600005 PM 22380074 ER PT J AU Stoupin, S Shvyd'ko, Y Shu, DM Khachatryan, R Xiao, XH DeCarlo, F Goetze, K Roberts, T Roehrig, C Deriy, A AF Stoupin, Stanislav Shvyd'ko, Yuri Shu, Deming Khachatryan, Ruben Xiao, Xianghui DeCarlo, Francesco Goetze, Kurt Roberts, Timothy Roehrig, Christian Deriy, Alexey TI Hard x-ray monochromator with milli-electron volt bandwidth for high-resolution diffraction studies of diamond crystals SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID MOSSBAUER WAVELENGTH STANDARD; SYNCHROTRON-RADIATION; REFLECTIVITY AB We report on design and performance of a high-resolution x-ray monochromator with a spectral bandwidth of Delta E-X similar or equal to 1.5 meV, which operates at x-ray energies in the vicinity of the backscattering (Bragg) energy E-H = 13.903 keV of the (008) reflection in diamond. The monochromator is utilized for high-energy-resolution diffraction characterization of diamond crystals as elements of advanced x-ray crystal optics for synchrotrons and x-ray free-electron lasers. The monochromator and the related controls are made portable such that they can be installed and operated at any appropriate synchrotron beamline equipped with a pre-monochromator. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3684876] C1 [Stoupin, Stanislav; Shvyd'ko, Yuri; Shu, Deming; Khachatryan, Ruben; Xiao, Xianghui; DeCarlo, Francesco; Goetze, Kurt; Roberts, Timothy; Roehrig, Christian; Deriy, Alexey] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Stoupin, S (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Dedicated to the memory of Dr. Ruben Khachatryan, our coauthor, colleague and friend who sadly passed away prior to publication of this paper. We are indebted to K.-J. Kim for stimulating interest and encouragement. We thank E. Wrobel for help during experiments and M. Wieczorek for help in crystal fabrication. The work was partially performed in the framework of the LDRD on XFELOs at Argonne National Laboratory. 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 27 TC 2 Z9 2 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023105 DI 10.1063/1.3684876 PN 1 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600008 PM 22380077 ER PT J AU Stoyer, MA Velsko, CA Spears, BK Hicks, DG Hudson, GB Sangster, TC Freeman, CG AF Stoyer, M. A. Velsko, C. A. Spears, B. K. Hicks, D. G. Hudson, G. B. Sangster, T. C. Freeman, C. G. TI Collection of solid and gaseous samples to diagnose inertial confinement fusion implosions SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID RADIOCHEMISTRY MEASUREMENTS; NEUTRON-ACTIVATION; PHEBUS LASER; TARGETS; TRACER AB Collection of representative samples of debris following inertial confinement fusion implosions in order to diagnose implosion conditions and efficacy is a challenging endeavor because of the unique conditions within the target chamber such as unconverted laser light, intense pulse of x-rays, physical chunks of debris, and other ablative effects. We present collection of gas samples following an implosion for the first time. High collection fractions for noble gases were achieved. We also present collection of solid debris samples on flat plate collectors. Geometrical collection efficiencies for Au hohlraum material were achieved and collection of capsule debris (Be and Cu) was also observed. Asymmetric debris distributions were observed for Au and Be samples. Collection of Be capsule debris was higher for solid collectors viewing the capsule through the laser entrance hole in the hohlraum than for solid collectors viewing the capsule around the waist of the hohlraum. Collection of Au hohlraum material showed the opposite pattern: more Au debris was collected around the waist than through the laser entrance hole. The solid debris collectors were not optimized for minimal Cu backgrounds, which limited the conclusions about the symmetry of the Cu debris. The quality of the data limited conclusions on chemical fractionation effects within the burning, expanding, and then cooling plasma. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3685250] C1 [Stoyer, M. A.; Velsko, C. A.; Spears, B. K.; Hicks, D. G.; Hudson, G. B.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Sangster, T. C.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Freeman, C. G.] SUNY Coll Geneseo, Geneseo, NY 14454 USA. RP Stoyer, MA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM mastoyer@llnl.gov RI Hicks, Damien/B-5042-2015 OI Hicks, Damien/0000-0001-8322-9983 FU U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We wish to acknowledge the staff at the Laboratory for Laser Energetics (LLE) OMEGA laser for impeccable delivery of the laser required for these experiments. We wish to thank Greg Pien, Jack Armstrong, and Chuck Sorce for their help in fielding these experiments at LLE. We wish to gratefully acknowledge Wayne Culham for technical assistance in performing the noble gas measurements and Rachel Lindvall for performing the ICP-MS measurements. This work was performed under the auspices of the U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 15 TC 2 Z9 2 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023505 DI 10.1063/1.3685250 PN 1 PG 9 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600021 PM 22380089 ER PT J AU Taccetti, JM Keiter, PA Lanier, N Mussack, K Belle, K Magelssen, GR AF Taccetti, J. M. Keiter, P. A. Lanier, N. Mussack, K. Belle, K. Magelssen, G. R. TI A technique for measuring the propagation of a supersonic radiation front in foam via spatially resolved spectral imaging of a tracer layer SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID LOW-DENSITY; IONIZATION FRONTS; TARGETS; DRIVEN AB We present a technique for measuring the propagation of a supersonic radiation front in low-density foam, where the lack of motion of the objects in its wake makes it difficult to determine its location. We illuminate a thin tracer foil embedded in the foam with a broadband x-ray source, and measure its changing absorption of these x rays as it ionizes. We record both spatial and spectral information of the heated tracer, and thus obtain its ionization state as a function of distance along the front propagation direction. We extrapolate this information to determine the state of the foam and the location of the radiation front. We present the experimental configuration used to test this technique at the Omega laser facility along with experimental results. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3685621] C1 [Taccetti, J. M.; Keiter, P. A.; Lanier, N.; Mussack, K.; Belle, K.; Magelssen, G. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Taccetti, JM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Keiter, Paul/J-3037-2013 NR 17 TC 4 Z9 4 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023506 DI 10.1063/1.3685621 PN 1 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600022 PM 22380090 ER PT J AU Qu, J Bansal, DG Yu, B Howe, JY Luo, HM Dai, S Li, HQ Blau, PJ Bunting, BG Mordukhovich, G Smolenski, DJ AF Qu, Jun Bansal, Dinesh G. Yu, Bo Howe, Jane Y. Luo, Huimin Dai, Sheng Li, Huaqing Blau, Peter J. Bunting, Bruce G. Mordukhovich, Gregory Smolenski, Donald J. TI Antiwear Performance and Mechanism of an Oil-Miscible Ionic Liquid as a Lubricant Additive SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE phosphonium-based ionic liquids; lubricants; additives; antiwear; boundary film; oil-solubility ID POLY(ETHYLENE GLYCOL); CONTACTS; SURFACES AB An ionic liquid (IL) trihexyltetradecylphosphonium bis(2-ethylhexyl) phosphate has been investigated as a potential antiwear lubricant additive. Unlike most other ILs that have very low solubility in nonpolar fluids, this IL is fully miscible with various hydrocarbon oils. In addition, it is thermally stable up to 347 degrees C, showed no corrosive attack to cast iron in an ambient environment, and has excellent wettability on solid surface's (e g, contact angle on cast iron <8 degrees). Most importantly, this phosphonium-based IL has demonstrated effective antiscuffing and antiwear characteristics when blended with lubricating oils. For example, a 5 wt % addition into a synthetic base oil eliminated the scuffing failure experienced in neat oil and, as a,result; reduced the friction coefficient by 60% and the wear rate by 3 orders of magnitude. A synergistic effect on wear protection was observed with the current antiwear additive when added into a fully formulated engine oil. Nanostructure examination and composition analysis revealed a tribo-boundary film and subsurface plastic deformation zone for the metallic surface lubricated by the IL-containing lubricants. This protective boundary film is believed to be responsible for the IL's antiscuffing and antiwear functionality. C1 [Qu, Jun; Bansal, Dinesh G.; Howe, Jane Y.; Li, Huaqing; Blau, Peter J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Yu, Bo; Luo, Huimin; Bunting, Bruce G.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN USA. [Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. [Li, Huaqing] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. RP Qu, J (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM qujn@ornl.gov RI Li, Huaqing/E-7071-2010; Bansal, Dinesh/F-2255-2010; Howe, Jane/G-2890-2011; Dai, Sheng/K-8411-2015; OI Bansal, Dinesh/0000-0001-8044-6341; Dai, Sheng/0000-0002-8046-3931; Qu, Jun/0000-0001-9466-3179 FU Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy (DOE); DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; ORNL; DOE Office of Basic Energy Sciences; Oak Ridge Associated Universities FX The authors thank D.W. Coffey, Dr. H. Xu, and Dr. S.R. Hunter for FIB-aided TEM sample preparation, SEM imaging, and help on contact angle measurement, respectively. Research sponsored by the Vehicle Technologies Program, Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy (DOE). Part of the IL synthesis effort was supported by the DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The characterization work was supported in part by ORNL's SHaRE User Facility, which is sponsored by the DOE Office of Basic Energy Sciences. B.Y. and D.G.B. acknowledge the Oak Ridge Associated Universities for postdoctoral fellowships. NR 21 TC 74 Z9 77 U1 5 U2 81 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 FEB PY 2012 VL 4 IS 2 BP 997 EP 1002 DI 10.1021/am201646k PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 897IW UT WOS:000300644500072 PM 22248297 ER PT J AU Valenstein, JS Kandel, K Melcher, F Slowing, II Lin, VSY Trewyn, BG AF Valenstein, Justin S. Kandel, Kapil Melcher, Forrest Slowing, Igor I. Lin, Victor S. -Y. Trewyn, Brian G. TI Functional Mesoporous Silica Nanoparticles for the Selective Sequestration of Free Fatty Acids from Microalgal Oil SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE mesoporous silica; free fatty acids; selective sequestration; microalgal oil ID RESPONSIVE CONTROLLED-RELEASE; BIODIESEL PRODUCTION; BOTRYOCOCCUS-BRAUNII; DELIVERY-SYSTEM; ADSORPTION; NANOSPHERE; FERMENTATION; MORPHOLOGY; BIOENERGY; GLUCOSE AB A series of 2d-hexagonally packed mesoporous silica nanoparticle Material with 10 nm pore diameter (MSN-10) covalently :functionalized with organic surface modifiers have been synthesized via a post-synthesis grafting method. The material structure has been characterized by powder X-ray diffraction, electron microscopy, and nitrogen sorption analyses, and the free fatty acid (FFA) sequestration capacity and selectivity was investigated and quantified by thermogravimetric and GC/MS analysis. We discovered that aminopropyl functionalized 10 nm pore mesoporous silica nanoparticle material (AP-MSN-10) sequestered all available FFAs and left nearly all other molecules in solution from a simulated microalgal extract containing FFAs, sterols, terpenes, and triacylglycerides. We also demonstrated selective FFA sequestration from commercially;available microalgal oil. C1 [Trewyn, Brian G.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. RP Trewyn, BG (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM bgtrewyn@iastate.edu OI Slowing, Igor/0000-0002-9319-8639 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy [DE-FG26-0NT08854]; U.S. Department of Energy [DE-EE0003046] FX B.G.T., I.I.S., and J.S.V. thank the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy (Grant DE-FG26-0NT08854), for financial support. B.G.T., K.K., and F.M. also acknowledge funding of this work by the U.S. Department of Energy under Contract DE-EE0003046 awarded to the National Alliance for Advanced Biofuels and Bioproducts. NR 31 TC 18 Z9 18 U1 0 U2 24 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 FEB PY 2012 VL 4 IS 2 BP 1003 EP 1009 DI 10.1021/am201647t PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 897IW UT WOS:000300644500073 PM 22235867 ER PT J AU Malkiewicz, T Simpson, GS Urban, W Genevey, J Pinston, JA Ahmad, I Greene, JP Koster, U Materna, T Ramdhane, M Rzaca-Urban, T Smith, AG Thiamova, G AF Malkiewicz, T. Simpson, G. S. Urban, W. Genevey, J. Pinston, J. A. Ahmad, I. Greene, J. P. Koester, U. Materna, T. Ramdhane, M. Rzaca-Urban, T. Smith, A. G. Thiamova, G. TI RECENT STUDIES OF ODD-A, NEUTRON-RICH Pr ISOTOPES SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 32nd Mazurian Lakes Conference on Physics CY SEP 11-18, 2011 CL Piaski, POLAND SP Univ Warsaw, Pro Physica Fdn, Natl Centre Nucl Res ID FISSION-PRODUCTS; ISOMERS AB Delayed conversion-electron and gamma-ray spectroscopy of A = 151 nuclei has been performed at the Lohengrin mass spectrometer of the ILL Grenoble. A previously reported 35.1-keV isomer of Pr-151 has been determined to decay by an E1 transition and its half-life of 50(8) mu s measured for the first time. These data has been complemented by high-fold gamma-ray coincidence data collected with the EUROGAM-II and GAMMASPHERE arrays of anti-Compton spectrometers to search for medium-spin excitations in these nuclei. The long half life of this isomer and the lack of intraband E1 transitions show an absence of strong octupole correlations in the observed states of Pr-151. C1 [Malkiewicz, T.; Simpson, G. S.; Genevey, J.; Pinston, J. A.; Ramdhane, M.; Thiamova, G.] Univ Grenoble 1, CNRS, LPSC, Inst Polytech Grenoble,IN2P3, F-38026 Grenoble, France. [Urban, W.; Rzaca-Urban, T.] Univ Warsaw, Fac Phys, PL-00681 Warsaw, Poland. [Urban, W.; Koester, U.; Materna, T.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. [Ahmad, I.; Greene, J. P.] Argonne Natl Lab, Argonne, IL 60439 USA. [Smith, A. G.] Univ Manchester, Dept Phys & Astron, Manchester M13 9PL, Lancs, England. RP Malkiewicz, T (reprint author), Univ Grenoble 1, CNRS, LPSC, Inst Polytech Grenoble,IN2P3, F-38026 Grenoble, France. EM malkiewicz@lpsc.in2p3.fr NR 9 TC 1 Z9 1 U1 0 U2 1 PU WYDAWNICTWO UNIWERSYTETU JAGIELLONSKIEGO PI KRAKOW PA UL GRODZKA 26, KRAKOW, 31044, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD FEB PY 2012 VL 43 IS 2 BP 247 EP 252 DI 10.5506/APhysPolB.43.247 PG 6 WC Physics, Multidisciplinary SC Physics GA 905JY UT WOS:000301269700013 ER PT J AU Myalski, S Maj, A Podolyak, Z Kmiecik, M Bednarczyk, P Grebosz, J Regan, PH Garnsworthy, AB Pietri, S Rudolph, D Steer, SJ Becker, F Gerl, J Gorska, M Grawe, H Kojouharov, I Schaffner, H Wollersheim, HJ Prokopowicz, W Benzoni, G Blank, B Brandau, C Bruce, AM Caceres, L Camera, F Catford, WN Cullen, IJ Dombradi, Z Doornenbal, P Estevez, E Geissel, H Gelletly, W Heinz, A Hoischen, R Ilie, G Jones, GA Jungclaus, A Kelic, A Kondev, FG Kurtukian-Nieto, T Kurz, N Lalkovski, S Liu, Z Montes, F Pfutzner, M Saito, T Shizuma, T Simons, AJ Schwertel, S Tachenov, S Walker, PM Werner-Malento, E Wieland, O AF Myalski, S. Maj, A. Podolyak, Zs. Kmiecik, M. Bednarczyk, P. Grebosz, J. Regan, P. H. Garnsworthy, A. B. Pietri, S. Rudolph, D. Steer, S. J. Becker, F. Gerl, J. Gorska, M. Grawe, H. Kojouharov, I. Schaffner, H. Wollersheim, H. J. Prokopowicz, W. Benzoni, G. Blank, B. Brandau, C. Bruce, A. M. Caceres, L. Camera, F. Catford, W. N. Cullen, I. J. Dombradi, Zs. Doornenbal, P. Estevez, E. Geissel, H. Gelletly, W. Heinz, A. Hoischen, R. Ilie, G. Jones, G. A. Jungclaus, A. Kelic, A. Kondev, F. G. Kurtukian-Nieto, T. Kurz, N. Lalkovski, S. Liu, Z. Montes, F. Pfuetzner, M. Saito, T. Shizuma, T. Simons, A. J. Schwertel, S. Tachenov, S. Walker, P. M. Werner-Malento, E. Wieland, O. TI STUDY OF ISOMER PRODUCTION RATES FOR A=142-152 AND Z=62-67 IN FRAGMENTATION OF A RELATIVISTIC Pb-208 BEAM SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 32nd Mazurian Lakes Conference on Physics CY SEP 11-18, 2011 CL Piaski, POLAND SP Univ Warsaw, Pro-Phys Fdn, Natl Centre Nucl Res ID ANGULAR-MOMENTUM AB We have investigated nuclear fragmentation reactions of a relativistic Pb-208 beam. Ten isomeric states for nuclei with A = 142-152 and Z = 62-67 were observed. Measured isomeric ratios were compared, together with values from other experiments, with prediction of theoretical models. The discrepancies between the experimental and theoretical values were discussed in terms of transitions by-passing the isomer that are not included in the models. C1 [Myalski, S.; Maj, A.; Kmiecik, M.; Bednarczyk, P.; Grebosz, J.] Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland. [Podolyak, Zs.; Regan, P. H.; Garnsworthy, A. B.; Pietri, S.; Steer, S. J.; Brandau, C.; Catford, W. N.; Cullen, I. J.; Gelletly, W.; Jones, G. A.; Liu, Z.; Shizuma, T.; Simons, A. J.; Walker, P. M.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Grebosz, J.; Becker, F.; Gerl, J.; Gorska, M.; Grawe, H.; Kojouharov, I.; Schaffner, H.; Wollersheim, H. J.; Prokopowicz, W.; Doornenbal, P.; Geissel, H.; Kelic, A.; Kurz, N.; Saito, T.; Tachenov, S.; Werner-Malento, E.] GSI Darmstadt, D-64291 Darmstadt, Germany. [Garnsworthy, A. B.] Yale Univ, WNSL, New Haven, CT 06520 USA. [Rudolph, D.; Caceres, L.; Hoischen, R.; Montes, F.] Lund Univ, Dept Phys, S-22100 Lund, Sweden. [Prokopowicz, W.] Jagiellonian Univ, Inst Phys, PL-30059 Krakow, Poland. [Benzoni, G.; Camera, F.; Wieland, O.] Ist Nazl Fis Nucl, Sez Milano, I-20133 Milan, Italy. [Camera, F.] Univ Milan, I-20133 Milan, Italy. [Blank, B.] CEN Bordeaux Gradignan, F-33175 Gradignan, France. [Bruce, A. M.] Univ Brighton, Sch Engn, Brighton BN2 4GJ, E Sussex, England. [Caceres, L.; Jungclaus, A.] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain. [Dombradi, Zs.] Inst Nucl Res, H-4001 Debrecen, Hungary. [Estevez, E.; Kurtukian-Nieto, T.] Univ Santiago de Compostela, Santiago De Compostela 15706, Spain. [Heinz, A.; Ilie, G.] Univ Cologne, IKP, D-50937 Cologne, Germany. [Ilie, G.] Natl Inst Phys & Nucl Engn, Bucharest, Romania. [Kondev, F. G.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Lalkovski, S.] Univ Sofia St Kliment Ohridsk, Fac Phys, Sofia, Bulgaria. [Pfuetzner, M.; Werner-Malento, E.] Univ Warsaw, Fac Phys, PL-00681 Warsaw, Poland. [Shizuma, T.] Japan Atom Energy Res Inst, Kyoto 6190215, Japan. [Schwertel, S.] Tech Univ Munich, Phys Dept E12, D-8046 Garching, Germany. RP Myalski, S (reprint author), Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland. EM szymon.myalski@ifj.edu.pl; w.catford@surrey.ac.uk; pfutzner@mimuw.edu.pl RI Heinz, Andreas/E-3191-2014; Kurtukian-Nieto, Teresa/J-1707-2014; Bruce, Alison/K-7663-2016; OI Kurtukian-Nieto, Teresa/0000-0002-0028-0220; Bruce, Alison/0000-0003-2871-0517; Camera, Franco/0000-0003-1731-4834; benzoni, giovanna/0000-0002-7938-0338 NR 13 TC 2 Z9 2 U1 0 U2 14 PU JAGIELLONIAN UNIV PRESS PI KRAKOW PA UL MICHALOWSKIEGO 9-2, KRAKOW, 31126, POLAND SN 0587-4254 EI 1509-5770 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD FEB PY 2012 VL 43 IS 2 BP 253 EP 259 DI 10.5506/APhysPolB.43.253 PG 7 WC Physics, Multidisciplinary SC Physics GA 905JY UT WOS:000301269700014 ER PT J AU Pomorski, M Pfutzner, M Dominik, W Grzywacz, R Baumann, T Berryman, J Czyrkowski, H Dabrowski, R Ginter, T Grigorenko, L Johnson, J Kaminski, G Kuzniak, A Larson, N Liddick, SN Madurga, M Mazzocchi, C Mianowski, S Miernik, K Miller, D Palauskas, S Pereira, J Rykaczewski, KP Stolz, A Suchyta, S AF Pomorski, M. Pfuetzner, M. Dominik, W. Grzywacz, R. Baumann, T. Berryman, J. Czyrkowski, H. Dabrowski, R. Ginter, T. Grigorenko, L. Johnson, J. Kaminski, G. Kuzniak, A. Larson, N. Liddick, S. N. Madurga, M. Mazzocchi, C. Mianowski, S. Miernik, K. Miller, D. Palauskas, S. Pereira, J. Rykaczewski, K. P. Stolz, A. Suchyta, S. TI STUDIES OF Ni-48 USING THE OPTICAL TIME PROJECTION CHAMBER SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 32nd Mazurian Lakes Conference on Physics CY SEP 11-18, 2011 CL Piaski, POLAND SP Univ Warsaw, Pro Physica Fdn, Natl Centre Nucl Res ID PROTON-RICH NUCLEI; DRIP-LINE; STABILITY; DECAY AB The decay of the extremely neutron deficient Ni-48 was studied by means of an imaging time projection chamber which allowed recording tracks of charged particles. Four decays with two-proton tracks clearly corresponding to two-proton radioactivity were registered, providing the first direct evidence for this decay mode in Ni-48. The half-life of Ni-48 is determined to be T-1/2 = 2.1(-0.4)(+1.4) ms. The measured decay energy is 1.28(6) MeV. C1 [Pomorski, M.; Pfuetzner, M.; Dominik, W.; Czyrkowski, H.; Dabrowski, R.; Kuzniak, A.; Mazzocchi, C.; Mianowski, S.; Miernik, K.] Univ Warsaw, Fac Phys, PL-00681 Warsaw, Poland. [Grzywacz, R.; Kuzniak, A.; Madurga, M.; Miernik, K.; Miller, D.; Palauskas, S.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Grzywacz, R.; Johnson, J.; Rykaczewski, K. P.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Baumann, T.; Berryman, J.; Ginter, T.; Larson, N.; Liddick, S. N.; Pereira, J.; Stolz, A.; Suchyta, S.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Grigorenko, L.; Kaminski, G.] Joint Inst Nucl Res, Dubna 141980, Moscow Region, Russia. [Kaminski, G.] Inst Nucl Phys, PL-31342 Krakow, Poland. [Larson, N.; Liddick, S. N.; Suchyta, S.] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. RP Pomorski, M (reprint author), Univ Warsaw, Fac Phys, PL-00681 Warsaw, Poland. EM feld12@wp.pl; pfutzner@mimuw.edu.pl; rgrzywac@utk.edu; mmadurga@utk.edu; chiara.mazzocchi@fuw.edu.pl; rykaczewskik@ornl.gov RI Miller, David/B-5372-2012 OI Miller, David/0000-0002-0426-974X NR 16 TC 6 Z9 6 U1 2 U2 4 PU WYDAWNICTWO UNIWERSYTETU JAGIELLONSKIEGO PI KRAKOW PA UL GRODZKA 26, KRAKOW, 31044, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD FEB PY 2012 VL 43 IS 2 BP 267 EP 272 DI 10.5506/APhysPolB.43.267 PG 6 WC Physics, Multidisciplinary SC Physics GA 905JY UT WOS:000301269700016 ER PT J AU Forsberg, U Golubev, P Sarmiento, LG Jeppsson, J Rudolph, D Andersson, LL Ackermann, D Asai, M Block, M Eberhardt, K Even, J Dullmann, CE Dvorak, J Gates, JM Gregorich, KE Herzberg, RD Hessberger, FP Jager, E Khuyagbaatar, J Kojouharov, I Kratz, JV Krier, J Kurz, N Lahiri, S Lommel, B Maiti, M Merchan, E Omtvedt, JP Parr, E Runke, J Schaffner, H Schadel, M Yakushev, A AF Forsberg, U. Golubev, P. Sarmiento, L. G. Jeppsson, J. Rudolph, D. Andersson, L. -L. Ackermann, D. Asai, M. Block, M. Eberhardt, K. Even, J. Duellmann, Ch. E. Dvorak, J. Gates, J. M. Gregorich, K. E. Herzberg, R. -D. Hessberger, F. P. Jaeger, E. Khuyagbaatar, J. Kojouharov, I. Kratz, J. V. Krier, J. Kurz, N. Lahiri, S. Lommel, B. Maiti, M. Merchan, E. Omtvedt, J. P. Parr, E. Runke, J. Schaffner, H. Schaedel, M. Yakushev, A. TI FIRST EXPERIMENT AT TASCA TOWARDS X-RAY FINGERPRINTING OF ELEMENT 115 DECAY CHAINS SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 32nd Mazurian Lakes Conference on Physics CY SEP 11-18, 2011 CL Piaski, POLAND SP Univ Warsaw, Pro-Phys Fdn, Natl Centre Nucl Res AB To identify the atomic number of superheavy nuclei produced in Ca-48-induced fusion-evaporation reactions, an experiment aiming at measuring characteristic X-rays is being prepared at GSI, Darmstadt, Germany. The gas-filled separator TASCA will be employed, sending the residues towards the multi-coincidence detector setup TASISpec. Two ion-optical modes relying on differing magnetic polarities of the quadrupole magnets can be used at TASCA. New simulations and experimental tests of transmission and background suppression for these two focusing modes into TASISpec are presented. C1 [Forsberg, U.; Golubev, P.; Jeppsson, J.; Rudolph, D.] Lund Univ, S-22100 Lund, Sweden. [Sarmiento, L. G.] Univ Nacl Colombia, Bogota 111321, Colombia. [Andersson, L. -L.; Herzberg, R. -D.; Parr, E.] Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. [Andersson, L. -L.; Even, J.; Dvorak, J.; Hessberger, F. P.; Khuyagbaatar, J.] Helmholtz Inst Mainz, D-55099 Mainz, Germany. [Ackermann, D.; Block, M.; Duellmann, Ch. E.; Hessberger, F. P.; Jaeger, E.; Kojouharov, I.; Krier, J.; Kurz, N.; Lommel, B.; Merchan, E.; Runke, J.; Schaffner, H.; Schaedel, M.; Yakushev, A.] GSI Helmholtzzentrum Schwerionenforsch, D-64291 Darmstadt, Germany. [Asai, M.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki, Japan. [Eberhardt, K.; Even, J.; Duellmann, Ch. E.; Kratz, J. V.] Johannes Gutenberg Univ Mainz, D-55099 Mainz, Germany. [Gates, J. M.; Gregorich, K. E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Lahiri, S.; Maiti, M.] Saha Inst Nucl Phys, Kolkata 700064, India. [Omtvedt, J. P.] Univ Oslo, N-0315 Oslo, Norway. RP Forsberg, U (reprint author), Lund Univ, S-22100 Lund, Sweden. EM ulrika.forsberg@nuclear.lu.se; m.block@gsi.de RI Omtvedt, Jon Petter/C-8194-2011; Herzberg, Rolf-Dietmar/E-1558-2011; Block, Michael/I-2782-2015; Even, Julia/K-1186-2016; OI Omtvedt, Jon Petter/0000-0002-1822-7348; Block, Michael/0000-0001-9282-8347; Even, Julia/0000-0002-6314-9094; Lahiri, Susanta/0000-0003-0055-1569 NR 11 TC 5 Z9 5 U1 0 U2 12 PU WYDAWNICTWO UNIWERSYTETU JAGIELLONSKIEGO PI KRAKOW PA UL GRODZKA 26, KRAKOW, 31044, POLAND SN 0587-4254 EI 1509-5770 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD FEB PY 2012 VL 43 IS 2 BP 305 EP 311 DI 10.5506/APhysPolB.43.305 PG 7 WC Physics, Multidisciplinary SC Physics GA 905JY UT WOS:000301269700022 ER PT J AU Benyahia, S AF Benyahia, Sofiane TI Analysis of Model Parameters Affecting the Pressure Profile in a Circulating Fluidized Bed SO AICHE JOURNAL LA English DT Article DE circulation fluidized beds; computational fluid dynamics (CFD); fluidization; multiphase flow; particulate flows ID GAS/PARTICLE FLOW; KINETIC THEORIES; 2-FLUID MODEL; PARTICLE FLOW; SIMULATION; RISER; PREDICT AB This study focuses on continuum model validation of the flow of air and small catalyst particles in a circulating fluidized bed. Comparison with available experimental data of pressure drop and solids circulation rate in the riser clearly demonstrates the need to modify the homogeneous drag model to accurately predict the formation of clusters of particles, which are typically observed in the fluidization of small particles. The need to correct the drag law is also demonstrated in simulations of polydisperse powder flows wherein three solids species are used to represent a typical catalyst size distribution. Finally, particle-wall friction is found to have the most significant effect on the vertical gas pressure gradient while particle-particle friction has only a minor effect. Published 2011 American Institute of Chemical Engineers AIChE J, 58: 427-439, 2012 C1 Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Benyahia, S (reprint author), Natl Energy Technol Lab, Morgantown, WV 26507 USA. EM sofiane.Benyahia@netl.doe.gov NR 36 TC 33 Z9 33 U1 2 U2 34 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0001-1541 J9 AICHE J JI AICHE J. PD FEB PY 2012 VL 58 IS 2 BP 427 EP 439 DI 10.1002/aic.12603 PG 13 WC Engineering, Chemical SC Engineering GA 904VA UT WOS:000301225000007 ER PT J AU Pekney, N Wells, A Diehl, JR McNeil, M Lesko, N Armstrong, J Ference, R AF Pekney, Natalie Wells, Arthur Diehl, J. Rodney McNeil, Matthew Lesko, Natalie Armstrong, James Ference, Robert TI Atmospheric monitoring of a perfluorocarbon tracer at the 2009 ZERT Center experiment SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Carbon sequestration; Geosequestration; Perfluorocarbon tracer; AERMOD; Unmanned aerial systems; Bozeman; Montana ID CO2; DISPERSION; SEQUESTRATION; TRANSPORT; LEAKAGE AB Field experiments at Montana State University are conducted for the U.S. Department of Energy as part of the Zero Emissions Research and Technology Center (ZERT) to test and verify monitoring techniques for carbon capture and storage (CCS). A controlled release of CO2 with an added perfluorocarbon tracer was conducted in July 2009 in a multi-laboratory study of atmospheric transport and detection technologies. Tracer plume dispersion was measured with various meteorological conditions using a tethered balloon system with Multi-Tube Remote Samplers (MTRS) at elevations of 10 m, 20 m, and 40 m above ground level (AGL), as well as a ground-based portable tower with monitors containing sorbent material to collect the tracer at 1 m, 2 m, 3 m, and 4 m AGL Researchers designed a horizontal grid of sampling locations centered at the tracer plume source, with the tower positioned at 10 m and 30 m in both upwind and downwind directions, and the MTRS spaced at 50 m and 90 m downwind and 90 m upwind. Tracer was consistently detected at elevated concentrations at downwind sampling locations. With very few exceptions, higher tracer concentrations correlated with lower elevations. Researchers observed no statistical difference between sampling at 50 m and 90 m downwind at the same elevation. The US EPA AERMOD model applied using site-specific information predicted transport and dispersion of the tracer. Model results are compared to experimental data from the 2009 ZERT experiment. Successful characterization of the tracer plume simulated by the ZERT experiment is considered a step toward demonstrating the feasibility of remote sampling with unmanned aerial systems (UAS's) at future sequestration sites. Published by Elsevier Ltd. C1 [Pekney, Natalie; Wells, Arthur; Diehl, J. Rodney] Natl Energy Technol Lab, Div Environm Sci, Pittsburgh, PA 15236 USA. [McNeil, Matthew; Lesko, Natalie; Armstrong, James] Apogee Sci Inc, Englewood, CO 80110 USA. [Ference, Robert] UPS Corp, Pittsburgh, PA 15236 USA. RP Pekney, N (reprint author), Natl Energy Technol Lab, Div Environm Sci, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. EM Natalie.Pekney@netl.doe.gov NR 16 TC 5 Z9 5 U1 1 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD FEB PY 2012 VL 47 BP 124 EP 132 DI 10.1016/j.atmosenv.2011.11.024 PG 9 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 903XY UT WOS:000301157700015 ER PT J AU Sun, YW Buscheck, TA Hao, Y AF Sun, Yunwei Buscheck, Thomas A. Hao, Yue TI An analytical method for modeling first-order decay networks SO COMPUTERS & GEOSCIENCES LA English DT Article DE Reactive transport; Decay; Ingrowth; First-order reaction; Decomposition ID GROUNDWATER TRANSPORT MODELS; REACTIVE TRANSPORT; MULTISPECIES TRANSPORT; GENERALIZED SOLUTION; DECOMPOSITION METHOD; EQUATIONS AB A wide range of numerical methods are available to integrate coupled differential equations for first-order decay networks. When greatly differing decay rates exist in a reaction network, the stiffness of ordinary differential equations increases and requires additional effort to obtain solutions numerically. Although analytical solutions are preferred, they are limited to relatively simple reaction networks and small numbers of species. In this paper, we propose a methodology for formulating analytical solutions of ODEs for an unlimited number of species and more generalized reaction networks, including multidaughter branching and multiparent converging reactions. The derivation of analytical solutions for user-defined first-order reaction networks is implicitly implemented as a generalized computer code. Then, derived analytical solutions of the first-order reactions are coupled with numerical solutions for transport using an operator-splitting scheme. The solution method is then used to obtain analytical solutions of transport systems coupled by complex decay networks. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Sun, Yunwei; Buscheck, Thomas A.; Hao, Yue] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Sun, YW (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM sun4@llnl.gov RI Sun, Yunwei/C-9751-2010 FU U.S. Department of Energy at Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors thank the anonymous reviewers for their careful review and helpful comments, which led to an improved manuscript. This work was performed under the auspices of the U.S. Department of Energy at Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 31 TC 6 Z9 6 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD FEB PY 2012 VL 39 BP 86 EP 97 DI 10.1016/j.cageo.2011.06.015 PG 12 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA 898OJ UT WOS:000300751400009 ER PT J AU Bergk, B Drechsler, SL Canfield, PC Wosnitza, J AF Bergk, B. Drechsler, S. L. Canfield, P. C. Wosnitza, J. TI Detailed study of the de Haas-van Alphen effect in the Shubnikov state of LuNi2B2C SO EUROPEAN PHYSICAL JOURNAL B LA English DT Article ID FERMI-SURFACE SHEET; T-C SUPERCONDUCTOR; QUANTUM OSCILLATIONS; II SUPERCONDUCTORS; VORTEX STATE; MIXED-STATE; BOROCARBIDE SUPERCONDUCTORS; SINGLE-CRYSTALS; YNI2B2C; GAP AB We present de Haas-van Alphen (dHvA) measurements in the normal and in the superconducting state of LuNi2B2C. Inside the superconducting state, we observe quantum oscillations of a spherical Fermisurface sheet in all crystallographic directions. Apart from the field region close to the phase transition where a strong peak effect hampers the analysis of the dHvA signal, the additional damping of the quantum oscillations inside the superconducting state is much smaller than expected from theory. For the magnetic field aligned along the [100] direction, three different dHvA frequencies are visible in the superconducting state. In particular, the orbit related to a cushion-like Fermi surface does not show any additional damping at and below the upper critical field contrary to theoretical expectations of simple effective one-band theories. Consequently, the superconducting gap on this Fermi-surface sheet can only evolve at lower fields than the observed bulk critical field, B-c2 approximate to 8 T, which clearly points to a Fermi-surface-sheet-dependent gap opening in LuNi2B2C. C1 [Bergk, B.; Wosnitza, J.] Helmholtz Zentrum Dresden Rossendorf, Hochfeld Magnetlabor Dresden HLD, D-01314 Dresden, Germany. [Drechsler, S. L.] Leibniz Inst Solid State & Mat Res IFW Dresden, D-01171 Dresden, Germany. [Canfield, P. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Canfield, P. C.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Bergk, B (reprint author), Tech Univ Dresden, Inst Mat Sci, Helmholtzstr 7, D-01069 Dresden, Germany. EM Beate.Bergk@tu-dresden.de RI Canfield, Paul/H-2698-2014 FU DFG [SFB 463]; EuroMagNET under the EU [228043]; "Pakt fur Forschung" at the IFW-Dresden; U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering; U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358] FX The work was supported by the DFG through SFB 463 and by EuroMagNET under the EU contract No. 228043, as well as the "Pakt fur Forschung" at the IFW-Dresden. This work was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 62 TC 1 Z9 1 U1 2 U2 15 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 FEB PY 2012 VL 85 IS 2 AR 57 DI 10.1140/epjb/e2011-20821-6 PG 8 WC Physics, Condensed Matter SC Physics GA 907PS UT WOS:000301430400018 ER PT J AU Blake, AH Caselli, D Durot, C Mueller, J Parra, E Gilgen, J Boley, A Smith, DJ Tsong, IST Roberts, JC Piner, E Linthicum, K Cook, JW Koleske, DD Crawford, MH Fischer, AJ AF Blake, Adam H. Caselli, Derek Durot, Christopher Mueller, Jason Parra, Eduardo Gilgen, Joseph Boley, Allison Smith, David J. Tsong, Ignatius S. T. Roberts, John C. Piner, Edwin Linthicum, Kevin Cook, James W., Jr. Koleske, Daniel D. Crawford, Mary H. Fischer, Arthur J. TI InGaN/GaN multiple-quantum-well light-emitting diodes grown on Si(111) substrates with ZrB2(0001) buffer layers SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MOLECULAR-BEAM EPITAXY; CHEMICAL-VAPOR-DEPOSITION; GROUP-III NITRIDES; C-PLANE SAPPHIRE; PHASE EPITAXY; GA-POLAR; SILICON; SI; FACE; BLUE AB Multiple-quantum-well light-emitting diode (LED) structures of InGaN/GaN were grown by metalorganic chemical vapor deposition on Si(111) substrates via ZrB2(0001) buffer layers and a GaN template comprising composite AlxGa1-xN (where x lies in the range from 0 to 1) transition layers to minimize cracking due to thermal expansion mismatch between Si and GaN. Photoluminescence and electroluminescence results from the LED structures compared favorably with similar measurements obtained on identical LED structures grown on sapphire substrates. However, in spite of all the precautions taken, cracking was still present in the LED structures. Scanning electron microscopy and transmission electron microscopy in plan-view and cross-section geometries were conducted on the LED structures to examine the presence and the influence of various defects such as microvoids, micropipes, and threading dislocations on the mechanism of cracking. Our results suggest that the crack network propagates from microvoids on the surface of the LED structure. The formation of microvoids appears to originate from imperfections in the epitaxial ZrB2(0001) buffer layer. (C) 2012 American Institute of Physics. [doi:10.1063/1.3684557] C1 [Blake, Adam H.; Caselli, Derek; Durot, Christopher; Mueller, Jason; Parra, Eduardo; Gilgen, Joseph; Boley, Allison; Smith, David J.; Tsong, Ignatius S. T.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Roberts, John C.; Piner, Edwin; Linthicum, Kevin; Cook, James W., Jr.] Nitronex Corp, Durham, NC 27703 USA. [Koleske, Daniel D.; Crawford, Mary H.; Fischer, Arthur J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Tsong, IST (reprint author), Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. EM ig.tsong@asu.edu RI Piner, Edwin/B-5359-2016 FU National Science Foundation [0438400]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the National Science Foundation Partnership for Innovation program grant number 0438400. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. We also acknowledge use of facilities within the John M. Cowley Center for High Resolution Electron Microscopy at Arizona State University. NR 26 TC 18 Z9 19 U1 0 U2 24 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 FEB 1 PY 2012 VL 111 IS 3 AR 033107 DI 10.1063/1.3684557 PG 7 WC Physics, Applied SC Physics GA 902HS UT WOS:000301029800008 ER PT J AU Choi, SG Zhao, HY Persson, C Perkins, CL Donohue, AL To, B Norman, AG Li, J Repins, IL AF Choi, S. G. Zhao, H. Y. Persson, C. Perkins, C. L. Donohue, A. L. To, B. Norman, A. G. Li, J. Repins, I. L. TI Dielectric function spectra and critical-point energies of Cu2ZnSnSe4 from 0.5 to 9.0 eV SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SOLAR-CELL; EFFICIENCY; FILMS AB We present dielectric function epsilon=epsilon(1) + i epsilon(2) spectra and critical-point energies of Cu2ZnSnSe4 determined by spectroscopic ellipsometry from 0.5 to 9.0 eV. We reduce artifacts from surface overlayers to the maximum extent possible by performing chemical-mechanical polishing and wet-chemical etching of the surface of a Cu2ZnSnSe4 thin film. Ellipsometric data are analyzed by the multilayer model and the epsilon spectra are extracted. The data exhibit numerous spectral features associated with critical points, whose energies are obtained by fitting standard lineshapes to second energy derivatives of the data. The experimental results are in good agreement with the a spectra calculated within the GW quasi-particle approximation, and possible origins of the pronounced critical-point structures are identified. (C) 2012 American Institute of Physics. [doi:10.1063/1.3681814] C1 [Choi, S. G.; Perkins, C. L.; To, B.; Norman, A. G.; Li, J.; Repins, I. L.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Zhao, H. Y.; Persson, C.] Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden. [Persson, C.] Univ Oslo, Dept Phys, NO-0316 Oslo, Norway. [Donohue, A. L.] JA Woolam Co Inc, Lincoln, NE 68508 USA. RP Choi, SG (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM sukgeun.choi@nrel.gov RI Norman, Andrew/F-1859-2010; Choi, Sukgeun/J-2345-2014 OI Norman, Andrew/0000-0001-6368-521X; FU U.S. Department of Energy [DE-AC36-08-GO28308]; Swedish Energy Agency; Swedish Research Council; computer center NSC through SNIC/SNAC; computer center HPC2 N through SNIC/SNAC FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308. The work done at the Royal Institute of Technology was supported by the Swedish Energy Agency, the Swedish Research Council, and the computer centers NSC and HPC2 N through SNIC/SNAC. NR 27 TC 30 Z9 30 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 FEB 1 PY 2012 VL 111 IS 3 AR 033506 DI 10.1063/1.3681814 PG 6 WC Physics, Applied SC Physics GA 902HS UT WOS:000301029800022 ER PT J AU Goswami, A Yunus, M Ruden, PP Smith, DL AF Goswami, A. Yunus, M. Ruden, P. P. Smith, D. L. TI Magneto-resistance of organic spin valves due to spin-polarized tunnel injection and extraction of charge carriers SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SEMICONDUCTORS; SPINTRONICS; INTERFACE AB Spin-polarized tunnel injection and extraction of charge carriers can give rise to magneto-resistance in organic spin valves. To describe this magneto-resistance. the tunneling process is modeled as a transfer of electrons through a thin insulating layer between a ferromagnetic contact and an organic semiconductor. Transition rates between extended states in the metal and model "molecular" orbitals localized at the semiconductor/insulator interface are calculated based on a transfer Hamiltonian. The transition rates are then used in a rate equation model to calculate the injected current for the two spin types and the associated magneto-resistance of organic spin valves. Consistent with experimental data, it is found that the magneto-resistance can be of either sign and its magnitude strongly decreases with the applied bias. (C) 2012 American Institute of Physics. [doi:10.1063/1.3681173] C1 [Goswami, A.; Yunus, M.; Ruden, P. P.] Univ Minnesota, Minneapolis, MN 55455 USA. [Smith, D. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Goswami, A (reprint author), Univ Minnesota, Minneapolis, MN 55455 USA. EM gosw0014@umn.edu RI Hong, Jhen-Yong/E-6499-2012 FU DARPA [FA23861114058]; DOE Office of Basic Energy Sciences [08SPCE973]; NSF [ECCS - 0724886] FX The authors thank Alex Morozoff, Divya Venkataraman, and Katie Moenkhaus for their assistance. This work was supported in part by the NSF (ECCS - 0724886) and DARPA (FA23861114058). Access to the facilities of the Minnesota Supercomputing Institute for Digital Simulation and Advanced Computation is gratefully acknowledged. Work at Los Alamos National Laboratory was supported by the DOE Office of Basic Energy Sciences Work Proposal No. 08SPCE973. NR 27 TC 4 Z9 4 U1 2 U2 17 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 FEB 1 PY 2012 VL 111 IS 3 AR 034505 DI 10.1063/1.3681173 PG 4 WC Physics, Applied SC Physics GA 902HS UT WOS:000301029800114 ER PT J AU May, AF McGuire, MA Ma, J Delaire, O Huq, A Custelcean, R AF May, Andrew F. McGuire, Michael A. Ma, Jie Delaire, Olivier Huq, Ashfia Custelcean, Radu TI Properties of single crystalline AZn(2)Sb(2) (A = Ca,Eu,Yb) SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID THERMOELECTRIC-MATERIALS; CACD2SB2; CAAL2SI2 AB Single crystals of CaZn2Sb2, EuZn2Sb2, and YbZn2Sb2 were grown from melts of nominal composition AZn(5)Sb(5) (A =Ca,Eu,Yb) with the excess melt being removed at 1073 K. The electrical transport properties are consistent with those previously reported for polycrystalline samples. This confirms that the p-type carrier concentrations ranging from 2 x 10(19) cm(-3) to similar to 1 x 10(20) cm(-3) are intrinsic to these materials. Also consistent with transport in polycrystalline materials, the carrier mobility is found to be lowest in CaZn2Sb2, suggesting the trends in mobility and thermoelectric efficiency within these compounds are inherent to the material systems and not due to inhomogeneity or impurities in polycrystalline samples. These results suggest CaZn2Sb2 has the strongest coupling between the doping/defects and the electronic framework. Magnetization measurements reveal an antiferromagnetic transition near 13 K in EuZn2Sb2, and the observed magnetic anisotropy indicates the spins align parallel and anti-parallel to c in the trigonal lattice. Powder neutron diffraction on polycrystalline samples of CaZn2Sb2 and YbZn2Sb2 reveals smooth lattice expansion to 1000 K, with c expanding faster than a. The Debye temperatures calculated from specific heat capacity data and the isotropic displacement parameters are found to correlate with the carrier mobility, with the CaZn2Sb2 displaying the largest Debye temperature and smallest mobility. (C) 2012 American Institute of Physics. [doi:10.1063/1.3681817] C1 [May, Andrew F.; McGuire, Michael A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Ma, Jie; Delaire, Olivier; Huq, Ashfia] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Custelcean, Radu] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP May, AF (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM mayaf@ornl.gov RI May, Andrew/E-5897-2011; Custelcean, Radu/C-1037-2009; McGuire, Michael/B-5453-2009; Ma, Jie/C-1637-2013; Huq, Ashfia/J-8772-2013 OI May, Andrew/0000-0003-0777-8539; Custelcean, Radu/0000-0002-0727-7972; McGuire, Michael/0000-0003-1762-9406; Huq, Ashfia/0000-0002-8445-9649 FU U. S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; U. S. Department of Energy, Office of Basic Energy Sciences, through the S3TEC Energy Frontier Research Center, Department of Energy [DESC0001299] FX This work was supported by the U. S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division (A.F.M., M.A.M.). R.C. was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The research at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. O.D. and J.M. were supported by the U. S. Department of Energy, Office of Basic Energy Sciences, through the S3TEC Energy Frontier Research Center, Department of Energy DESC0001299. NR 30 TC 14 Z9 14 U1 1 U2 58 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 FEB 1 PY 2012 VL 111 IS 3 AR 033708 DI 10.1063/1.3681817 PG 7 WC Physics, Applied SC Physics GA 902HS UT WOS:000301029800051 ER PT J AU Yoon, Y Paudyal, B Kim, J Ok, YW Kulshreshtha, P Johnston, S Rozgonyi, G AF Yoon, Yohan Paudyal, Bijaya Kim, Jinwoo Ok, Young-Woo Kulshreshtha, Prashant Johnston, Steve Rozgonyi, George TI Effect of nickel contamination on high carrier lifetime n-type crystalline silicon SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SURFACE RECOMBINATION VELOCITY; ELECTRICAL-PROPERTIES; P-TYPE; DEFECTS; IMPURITIES; WAFERS AB The injection-dependent lifetimes of different levels of Ni-contaminated n-type Czochralski (CZ) silicon wafers were investigated using resonant-coupled photoconductance decay (RCPCD) and quasi-steady-state photoconductance technique (QSSPC). The lifetime degradation of the most heavily contaminated samples was caused by Ni suicide precipitates at the surface of the wafers. The impact on lifetime was determined by surface recombination velocities (SRV). SRV values from RCPCD were comparable to those extracted by the QSSPC technique. A direct correlation between minority carrier lifetime and the concentration of electrically active substitutional Ni and Ni suicide precipitate traps measured using deep level transient spectroscopy was established. (C) 2012 American Institute of Physics. [doi:10.1063/1.3680880] C1 [Yoon, Yohan; Kim, Jinwoo; Rozgonyi, George] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. [Paudyal, Bijaya] MKS Instruments Inc, San Jose, CA 95134 USA. [Ok, Young-Woo] Georgia Inst Technol, Sch Elect & Comp Engn, Univ Ctr Excellence Photovolta Res & Educ, Atlanta, GA 30332 USA. [Kulshreshtha, Prashant] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Johnston, Steve] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Yoon, Y (reprint author), N Carolina State Univ, Dept Mat Sci & Engn, Box 7907, Raleigh, NC 27695 USA. EM yyoon3@ncsu.edu NR 21 TC 4 Z9 4 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD FEB 1 PY 2012 VL 111 IS 3 AR 033702 DI 10.1063/1.3680880 PG 5 WC Physics, Applied SC Physics GA 902HS UT WOS:000301029800045 ER PT J AU Martin, RL Smit, B Haranczyk, M AF Martin, Richard Luis Smit, Berend Haranczyk, Maciej TI Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials SO JOURNAL OF CHEMICAL INFORMATION AND MODELING LA English DT Article ID METAL-ORGANIC FRAMEWORKS; ZEOLITIC IMIDAZOLATE FRAMEWORKS; CARBON-DIOXIDE; MOLECULAR SIMULATIONS; SHAPE SELECTIVITY; CAPTURE; ADSORPTION; ALGORITHMS; SIMILARITY; TOPOLOGY AB Crystalline porous materials have a variety of uses, such as for catalysis and separations. Identifying suitable materials for a given application can, in principle, be done by screening material databases. Such a screening requires automated high-throughput analysis tools that calculate topological and geometrical parameters describing pores. These descriptors can be used, to compare, select, group, and classify materials. Here, we present a descriptor that captures shape and geometry characteristics of pores. Together with proposed similarity measures, it can be used to perform diversity selection on a set of porous materials. Our representations are histogram encodings of the probe-accessible fragment of the Voronoi network representing the void space of a material. We discuss and demonstrate the application of our approach on the International Zeolite Association (IZA) database of zeolite frameworks and the Deem database of hypothetical zeolites, as well as zeolitic imidazolate frameworks constructed from IZA zeolite structures. The diverse structures retrieved by our method are complementary to those expected by emphasizing diversity in existing one-dimensional descriptors, e.g., surface area, and similar to those obtainable by a (subjective) manual selection based on materials' visual representations. Our technique allows for reduction of large sets of structures and thus enables the material researcher to focus efforts on maximally dissimilar structures. C1 [Martin, Richard Luis; Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Haranczyk, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, 1 Cyclotron Rd,Mail Stop 50F-1650, Berkeley, CA 94720 USA. EM mharanczyk@lbl.gov RI Smit, Berend/B-7580-2009; Martin, Richard/C-7129-2013; Haranczyk, Maciej/A-6380-2014 OI Smit, Berend/0000-0003-4653-8562; Martin, Richard/0000-0001-9858-2608; Haranczyk, Maciej/0000-0001-7146-9568 NR 42 TC 44 Z9 44 U1 1 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9596 EI 1549-960X J9 J CHEM INF MODEL JI J. Chem Inf. Model. PD FEB PY 2012 VL 52 IS 2 BP 308 EP 318 DI 10.1021/ci200386x PG 11 WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications SC Pharmacology & Pharmacy; Chemistry; Computer Science GA 897KU UT WOS:000300650400006 PM 22098053 ER PT J AU Sharma, H Cheng, XL Buolamwini, JK AF Sharma, Horrick Cheng, Xiaolin Buolamwini, John K. TI Homology Model-Guided 3D-QSAR Studies of HIV-1 Integrase Inhibitors SO JOURNAL OF CHEMICAL INFORMATION AND MODELING LA English DT Article ID IMMUNODEFICIENCY-VIRUS TYPE-1; ACTIVE-SITE; CATALYTIC DOMAIN; CRYSTAL-STRUCTURE; CARBOXYLIC-ACIDS; IN-VITRO; POTENT; INFECTION; DISCOVERY; BINDING AB In the present study, we report the exploration of binding modes of potent HIV-1 integrase (IN) inhibitors MK-0518 (raltegravir) and GS-9137 (elvitegravir) as well as chalcone and related amide IN inhibitors we recently synthesized and the development of 3D-QSAR models for integrase inhibition. Homology models of DNA-bound HIV-1 IN were constructed on the basis of the X-ray crystal structure of the foamy virus IN-DNA complex (PDB ID: 3L2T) and used for docking: The binding modes of raltegravir and elvitegravir in our homology models are in accordance with those in the foamy virus structure revealing interactions important for inhibitor-IN binding. To gain further insights into the structural requirement; for IN inhibition, three-dimensional quantitative structure activity relationship (3D-QSAR) studies were conducted using raltegravir, elvitegravir, and their analogs; our synthesized 3-keto salicylic acid IN inhibitor series; as well as other structurally related HIV-1 IN inhibitors. In the first part of the study with 103 compounds, atom-fit alignments, I and II, and docking-based alignment, III, were used to develop 3D-QSAR models 1, 2, and 3, respectively, each comprising comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) 3D-QSARs. This initial analysis indicated that the docking-based (structure-based) model 3 performed better than the atom-fit (ligand-based) models 1 and 2, in terms of statistical significance and robustness. Thus, the docking-based alignment was then subsequently used with an expanded data set of 296 compounds for building a more comprehensive 3D-QSAR, model 4. Model 4 afforded good q(2) values of 0.70 and 0.75 for CoMFA and CoMSIA 3D-QSARs, respectively, and showed good predictive performance on an external validation test set of 9 compounds with predictive r(2) values up to 0.71. The HIV IN-DNA homology model of biological relevance and the comprehensive 3D-QSAR models developed in the present study provide insights and new predictive tools for structure-based design, and optimization of IN inhibitors. C1 [Sharma, Horrick; Buolamwini, John K.] Univ Tennessee, Ctr Hlth Sci, Dept Pharmaceut Sci, Coll Pharm, Memphis, TN 38163 USA. [Cheng, Xiaolin] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA. [Cheng, Xiaolin] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. RP Buolamwini, JK (reprint author), Univ Tennessee, Ctr Hlth Sci, Dept Pharmaceut Sci, Coll Pharm, Memphis, TN 38163 USA. EM jbuolamwini@uthsc.edu FU NIAID NIH HHS [AI084710] NR 64 TC 17 Z9 18 U1 0 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9596 J9 J CHEM INF MODEL JI J. Chem Inf. Model. PD FEB PY 2012 VL 52 IS 2 BP 515 EP 544 DI 10.1021/ci200485a PG 30 WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications SC Pharmacology & Pharmacy; Chemistry; Computer Science GA 897KU UT WOS:000300650400026 PM 22256860 ER PT J AU Pan, FF King, AW AF Pan, Feifei King, Anthony W. TI Downscaling 1-km Topographic Index Distributions to a Finer Resolution for the TOPMODEL-Based GCM Hydrological Modeling SO JOURNAL OF HYDROLOGIC ENGINEERING LA English DT Article DE TOPMODEL; Topographic index distribution (TID); Digital elevation model (DEM); 3-parameter gamma distribution; Saturation area; Base flow; Surface runoff; Depth to water table ID DIGITAL ELEVATION MODEL; CATCHMENT-BASED APPROACH; LAND-SURFACE PROCESSES; STATISTICAL PROPERTIES; VERSATILE INTEGRATOR; NORTH-AMERICA; SCALE; REPRESENTATION AB TOPMODEL predictions of surface runoff and subsurface flow are fundamentally developed on the basis of the topographic index distribution (TID). The scale dependency of the TID [i.e., dependency on the resolution of the digital elevation model (DEM) data used to compute the topographic indexes] determines that downscaling of the TID computed from a coarser resolution DEM to a finer resolution is needed before the TOPMODEL concepts can be applied to simulate hydrological processes at some larger scales than the scale of hillslopes. It was found that adjusting only the mean values cannot achieve an accurate downscaling of the TID because the difference between 2-m TIDs and the downscaled TIDs from a coarser resolution to 2 m through adjusting only mean values resulted in overestimation of the fraction of the saturation area and surface runoff under wet conditions and underestimation under dry conditions. It was found that downscaling by correcting for scale-dependencies in the first three moments of TIDs produced better predictions. A series of empirical relationships among mean, standard deviation, and coefficient of skewness of TIDs of nine catchments in eastern Tennessee at resolutions of 2, 10, and 100 m and 205 watersheds across the contiguous United States at resolutions of 10 m and 1 km were developed for downscaling TIDs from 1 km to 2 m through approximating TIDs by a 3-parameter gamma distribution function. The errors in the downscaled TIDs from 1 km to 10 m over 205 watersheds across the contiguous United States decreased with increasing watershed size and approached a minimum (approximately 6%) as the watershed drainage area was larger than approximately 500 km(2). With the constructed empirical relationships, topographic indexes computed from 1-km DEM can be scaled down to 2 m for reducing errors and uncertainties in the TOPMODEL-based general circulation model (GCM) hydrological simulations. DOI: 10.1061/(ASCE)HE.1943-5584.0000438. (C) 2012 American Society of Civil Engineers. C1 [Pan, Feifei] Univ N Texas, Dept Geog, Denton, TX 76203 USA. [King, Anthony W.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Pan, FF (reprint author), Univ N Texas, Dept Geog, Denton, TX 76203 USA. EM feifei.pan@unt.edu RI Pan, Feifei/D-3370-2015 OI Pan, Feifei/0000-0003-4373-7566 NR 27 TC 4 Z9 4 U1 2 U2 12 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 1084-0699 J9 J HYDROL ENG JI J. Hydrol. Eng. PD FEB PY 2012 VL 17 IS 2 BP 243 EP 251 DI 10.1061/(ASCE)HE.1943-5584.0000438 PG 9 WC Engineering, Civil; Environmental Sciences; Water Resources SC Engineering; Environmental Sciences & Ecology; Water Resources GA 908UN UT WOS:000301518400003 ER PT J AU Craig, NC Easterday, CC Nemchick, DJ Williamson, DFK Sams, RL AF Craig, Norman C. Easterday, Clay C. Nemchick, Deacon J. Williamson, Drew F. K. Sams, Robert L. TI Rotational analysis of bands in the high-resolution infrared spectra of cis,cis- and trans,trans-1,4-difluorobutadiene-2-d(1) SO JOURNAL OF MOLECULAR SPECTROSCOPY LA English DT Article DE High-resolution infrared spectra; Analysis of rotational structure; Rotational constants; Deuterium isotopologues of 1,4-difluorobutadiene ID VIBRATIONAL SPECTROSCOPY; EQUILIBRIUM STRUCTURES; CIS,TRANS-1,4-DIFLUOROBUTADIENE; 1,4-DIFLUOROBUTADIENE; ISOMERS; CIS AB Pure samples of cis,cis- and trans,trans-1,4-difluorobutadiene-2-d(1) have been synthesized, and high-resolution (0.0015 cm(-1)) infrared spectra have been recorded for these nonpolar molecules in the gas phase. For the cis,cis isomer, the rotational structure in two C-type bands at 775 and 666 cm(-1) and one A-type band at 866 cm(-1) has been analyzed to yield a combined set of 2020 ground state combination differences (GSCDs). Ground state rotational constants fit to these GSCDs are A(0) = 0.4195790(4), B-0 = 0.0536508(8). and C-0 = 0.0475802(9) cm(-1). For the trans,trans isomer, three C-type bands at 856, 839. and 709 cm(-1) have been investigated to give a combined set of 1624 GSCDs. Resulting ground state rotational constants for this isomer are A(0) = 0.9390117(8), B-0 = 0.0389225(4), and C-0 = 0.0373778(3) cm(-1). Small inertial defects confirm the planarity of both isomers in the ground state. Upper state rotational constants have been determined for most of the transitions. The ground state rotational constants for the two isotopologues will contribute to the data set needed for determining semiexperimental equilibrium structures for the nonpolar isomers of 1,4-difluorobutadiene. (C) 2011 Elsevier Inc. All rights reserved. C1 [Craig, Norman C.; Easterday, Clay C.; Nemchick, Deacon J.; Williamson, Drew F. K.] Oberlin Coll, Dept Chem & Biochem, Oberlin, OH 44074 USA. [Sams, Robert L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Craig, NC (reprint author), Oberlin Coll, Dept Chem & Biochem, Oberlin, OH 44074 USA. EM norm.craig@oberlin.edu FU Dreyfus Senior Scholar Mentor grants; Oberlin College; National Science Foundation [0420717]; Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory (PNNL); United States Department of Energy by Battelle [DE-AC05-75RLO-1830] FX We are grateful to Manish Mehta for recording NMR spectra on a 600 MHz spectrometer. The work at Oberlin College was supported by Dreyfus Senior Scholar Mentor grants and by the college. National Science Foundation Grant 0420717 provided for the purchase and technical support of the Beowulf computer cluster at Oberlin College. The high-resolution spectroscopy was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory (PNNL). PNNL is operated for the United States Department of Energy by Battelle under contract DE-AC05-75RLO-1830. NR 20 TC 3 Z9 3 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 0022-2852 J9 J MOL SPECTROSC JI J. Mol. Spectrosc. PD FEB PY 2012 VL 272 IS 1 BP 2 EP 10 DI 10.1016/j.jms.2011.11.007 PG 9 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 910FC UT WOS:000301621600001 ER PT J AU Wegener, SL Marks, TJ Stair, PC AF Wegener, Staci L. Marks, Tobin J. Stair, Peter C. TI Design Strategies for the Molecular Level Synthesis of Supported Catalysts SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID ATOMIC LAYER DEPOSITION; SURFACE ORGANOMETALLIC CHEMISTRY; SITE HETEROGENEOUS CATALYSTS; METAL-OXIDE CATALYSTS; VISIBLE DIFFUSE-REFLECTANCE; VANADIA-SILICA MATERIALS; ACIDIC SULFATED ALUMINA; OLEFIN POLYMERIZATION; OXIDATIVE DEHYDROGENATION; ACTIVE-SITES AB Supported catalysts, metal or oxide catalytic centers constructed on an underlying solid phase, are making an increasingly important contribution to heterogeneous catalysis. For example, in industry, supported catalysts are employed in selective oxidation, selective reduction, and polymerization reactions. Supported structures increase the thermal stability, dispersion, and surface area of the catalyst relative to the neat catalytic material. However, structural and mechanistic characterization of these catalysts presents a formidable challenge because traditional preparations typically afford complex mixtures of structures whose individual components cannot be Isolated. As a result, the characterization of supported catalysts requires a combination of advanced spectroscopies for their characterization, unlike homogeneous catalysts, which have relatively uniform structures and can often be characterized using standard methods. Moreover, these advanced spectroscopic techniques only provide ensemble averages and therefore do not Isolate the catalytic function of Individual components within the mixture. New synthetic approaches are required to more controllably tailor supported catalyst structures. In this Account, we review advances in supported catalyst synthesis and characterization developed In our laboratories at Northwestern University. We first present an overview of traditional synthetic methods with a focus on supported vanadium oxide catalysts. We next describe approaches for the design and synthesis of supported polymerization and hydrogenation catalysts, using anchoring techniques which provide molecular catalyst structures with exceptional activity and high percentages of catalytically significant sites. We then highlight similar approaches for preparing supported metal oxide catalysts using atomic layer deposition and organometallic grafting. Throughout this Account, we describe the use of incisive spectroscopic techniques, including high-resolution solid state NMR, UV-visible diffuse reflectance (DRS), UV-Raman, and X-ray absorption spectroscopies to characterize supported catalysts. We demonstrate that it is possible to tailor and isolate defined surface species using a molecularly oriented approach. We anticipate that advances in catalyst design and synthesis will lead to a better understanding of catalyst structure and function and, thus, to advances in existing catalytic processes and the development of new technologies. C1 [Wegener, Staci L.; Marks, Tobin J.; Stair, Peter C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Wegener, Staci L.; Marks, Tobin J.; Stair, Peter C.] Northwestern Univ, Ctr Catalysis & Surface Sci, Evanston, IL 60208 USA. [Stair, Peter C.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Marks, TJ (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM t-marks@northwestern.edu; pstair@northwestern.edu FU U.S. DOE, Office of Basic Energy Sciences under ICEP [DE-AC02-06CH11357, DE-FG02-03-ER15457, DE-FG02-86ER13511, W-31-109-ENG-38] FX The authors are grateful to the U.S. DOE, Office of Basic Energy Sciences, for support of this research under Contracts DE-AC02-06CH11357, DE-FG02-03-ER15457, DE-FG02-86ER13511, and W-31-109-ENG-38 under ICEP. NR 86 TC 84 Z9 84 U1 13 U2 174 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 FEB PY 2012 VL 45 IS 2 BP 206 EP 214 DI 10.1021/ar2001342 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 903AO UT WOS:000301085600007 PM 22004451 ER PT J AU Maheswari, PU Teat, SJ Roubeau, O Reedijk, J AF Maheswari, Palanisami Uma Teat, Simon J. Roubeau, Olivier Reedijk, Jan TI Bis{mu-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino }-1,3,5-triazin-2-yl)[(pyridin-2-yl-kappa N)methyl]amino-kappa N]-4-methylphenolato-1:2 kappa O-2:O}bis[(nitrato-kappa O-2,O ')zinc]-acetonitrile-water (2/4/1) SO ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE LA English DT Article ID DONOR LIGANDS; POLYDENTATE AB The title compound, [Zn-2(C42H38N9O3)(2)(NO3)(2)]center dot 2CH(3)CN center dot 0.5H(2)O, is a bis-phenolate-bridged dinuclear Zn-II complex. The asymmetric unit comprises half the zinc complex (the full complex is completed by the application of a centre of inversion), one acetonitrile solvent molecule and a quarter of a water molecule (located on a twofold axis with half-occupancy; H atoms were not located for this molecule). Each triazine-based multidentate ligand uses a phenolate group to bridge Zn-II ions, generating a Zn2O2 core. The Zn-II ions are five-coordinate, with an additional long Zn-O contact [2.6465 (16) angstrom], and include a semi-bidentate nitrate ion and a N,N ',O-tridentate mode of the ligand in the coordination sphere. Non-coordinating pyridine groups form intramolecular O-H center dot center dot center dot N hydrogen bonds with phenol groups. As suggested by the short O center dot center dot center dot O donor-acceptor distances between the disordered water molecules and phenol O atoms, these groups also participate in hydrogen bonding. C1 [Maheswari, Palanisami Uma; Reedijk, Jan] Leiden Univ, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Roubeau, Olivier] CSIC, Inst Ciencia Mat Aragon, Zaragoza 50009, Spain. [Roubeau, Olivier] Univ Zaragoza, Zaragoza 50009, Spain. [Reedijk, Jan] King Saud Univ, Dept Chem, Riyadh 11451, Saudi Arabia. RP Reedijk, J (reprint author), Leiden Univ, Leiden Inst Chem, POB 9502, NL-2300 RA Leiden, Netherlands. EM reedijk@chem.leidenuniv.nl RI Reedijk, Jan/F-1992-2010; Roubeau, Olivier/A-6839-2010 OI Reedijk, Jan/0000-0002-6739-8514; Roubeau, Olivier/0000-0003-2095-5843 FU Leiden University Study group WFMO (Werkgroep Fundamenteel Materialen Onderzoek) FX The authors are indebted to Professor Patrick Gamez (ICREA, Barcelona) for many useful suggestions in the early stages of this research. The work described in this paper was supported by the Leiden University Study group WFMO (Werkgroep Fundamenteel Materialen Onderzoek). NR 8 TC 0 Z9 0 U1 0 U2 8 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1600-5368 J9 ACTA CRYSTALLOGR E JI Acta Crystallogr. Sect. E.-Struct Rep. Online PD FEB PY 2012 VL 68 BP M194 EP U1035 DI 10.1107/S1600536811053451 PN 2 PG 15 WC Crystallography SC Crystallography GA 902SD UT WOS:000301059000082 PM 22346863 ER PT J AU Chao, J Fuller, MLS McIntyre, NS Carcea, AG Newman, RC Kunz, M Tamura, N AF Chao, Jing Fuller, Marina L. Suominen McIntyre, N. Stewart Carcea, Anatolie G. Newman, Roger C. Kunz, Martin Tamura, Nobumichi TI The study of stress application and corrosion cracking on Ni-16 Cr-9 Fe (Alloy 600) C-ring samples by polychromatic X-ray microdiffraction SO ACTA MATERIALIA LA English DT Article DE Nickel alloy; Stress corrosion cracking; Polychromatic X-ray microdiffraction; Residual strain; Dislocations ID GRAIN-BOUNDARY-CHARACTER; DIFFRACTION; MICROBEAMS; CRYSTALS AB Microscopic strains associated with stress corrosion cracks have been investigated in stressed C-rings of Ni-16 Cr-9 Fe (Alloy 600) boiler tubing. Polychromatic X-ray microdiffraction was used to measure deviatoric strain tensors and the distribution of dislocations near cracks that had been propagated in electrochemically accelerated corrosion tests. An associated investigation of the C-ring-induced strains prior to corrosion showed significant tensile strain in the stress axis direction by the torsional closure of the alloy tube section in the C-ring test. Significant grain lattice rotation and pronounced plastic strain at some grain boundaries were noted. Stress-corrosion-cracking-generated intergranular cracks were produced in two Alloy 600 specimens after 6 h and 18 h tests. The diffraction patterns and resultant strain tensors were mapped around the cracked area to a 1 mu m spatial resolution. The strain tensor transverse to the crack growth direction showed tensile strain at the intergranular region just ahead of the crack tip for both specimens. Both cracks were found to follow grain boundary pathways that had the lowest angle of misorientation. Dislocation distributions within each grain were qualitatively obtained from the shapes of the diffraction spots and the effect of "hard" and "soft" grains on the crack pathway was explored for both 6 h and 18 h specimens. The Schmid factor of one of the grains adjacent to the crack at the 6 h and 18 h initiation sites was found to be the lowest, compared to Schmid factors calculated for surface grains away from the initiation site, and also along the crack path into the bulk. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Chao, Jing; Fuller, Marina L. Suominen; McIntyre, N. Stewart] Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada. [Carcea, Anatolie G.; Newman, Roger C.] Univ Toronto, Dept Chem Engn & Appl Chem, Toronto, ON M5S 3E5, Canada. [Kunz, Martin; Tamura, Nobumichi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP McIntyre, NS (reprint author), Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada. EM smcintyr@uwo.ca FU Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231]; CANDU Owners Group (COG); Ontario Centers of Excellence (OCE); Natural Science and Engineering Research Council of Canada (NSERC) FX 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. The authors would like to thank The Western Nanofabrication Facility at The University of Western Ontario and Surface Science Western for their help in sample preparation and imaging. The research at The University of Western Ontario and The University of Toronto was funded by CANDU Owners Group (COG), Ontario Centers of Excellence (OCE) and Natural Science and Engineering Research Council of Canada (NSERC). The authors would also like to thank Dr. Dorota M. Artymowicz at the Department of Chemical Engineering and Applied Chemistry in the University of Toronto for the valuable discussion about Schmid factor. NR 16 TC 5 Z9 5 U1 2 U2 9 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 FEB PY 2012 VL 60 IS 3 BP 781 EP 792 DI 10.1016/j.actamat.2011.10.040 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 903YA UT WOS:000301157900001 ER PT J AU Kalay, YE Kalay, I Hwang, J Voyles, PM Kramer, MJ AF Kalay, Y. E. Kalay, I. Hwang, Jinwoo Voyles, P. M. Kramer, M. J. TI Local chemical and topological order in Al-Tb and its role in controlling nanocrystal formation SO ACTA MATERIALIA LA English DT Article DE Nanocrystalline materials; Crystallization; Scanning/transmission electron microscopy (STEM); Three-dimensional atom probe (3DAP); X-ray diffraction (XRD) ID MEDIUM-RANGE ORDER; FLUCTUATION MICROSCOPY; METALLIC GLASSES; PHASE-SEPARATION; ALLOY; CRYSTALLIZATION; DIFFRACTION; REFINEMENT; PROBE AB How the chemical and topological short- to medium-range order develops in Al-Tb glass and its ultimate effect on the control of the high number density of face-centered-cubic-Al (fcc-Al) nuclei during devitrification are described. A combined study using high-energy X-ray diffraction (HEXRD), atom probe tomography (APT), transmission electron microscopy and fluctuation electron microscopy (FEM) was conducted in order to resolve the local structure in amorphous Al90Tb10. Reverse Monte Carlo simulations and Voronoi tessellation analysis based on HEXRD experiments revealed a high coordination of Al around Tb atoms in both liquid and amorphous states. APT results show Al-rich and Al-depleted regions within the as-quenched alloy. A network structure of Tb-rich clusters divides the matrix into nanoscale regions where Al-rich clusters are isolated. It is this finely divided network which allows the amorphous structure to form. Al-rich regions are the locus for fcc-Al crystallization, which occurs before the intermetallic crystallization. FEM reveals medium-range ordered regions similar to 2 nm in diameter, consistent with fcc-Al and trigonal-like Al3Tb crystal structures. We propose that the high coordination of Al around Tb limits diffusion in the intermetallic network, allowing for the isolated Al-rich regions to form at high density. These regions are responsible for the extremely high density of Al nanocrystal nuclei. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Kalay, Y. E.] Middle E Tech Univ, Dept Met & Mat Engn, TR-06800 Ankara, Turkey. [Kalay, I.] Cankaya Univ, Dept Mat Sci & Engn, TR-06530 Ankara, Turkey. [Hwang, Jinwoo] Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. [Voyles, P. M.] Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. [Kramer, M. J.] US DOE, Ames Lab, Ames, IA 50011 USA. [Kramer, M. J.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Kalay, YE (reprint author), Middle E Tech Univ, Dept Met & Mat Engn, TR-06800 Ankara, Turkey. EM ekalay@metu.edu.tr RI HWANG, JINWOO/D-1760-2013; OI Voyles, Paul/0000-0001-9438-4284 FU US Department of Energy (USDOE), Office of Science (OS), Office of Basic Energy Science (BES), under Ames Laboratory [DE-AC02-07CH11358]; US Department of Energy, Office of Science, and Basic Energy Sciences [DE-AC02-06CH11357]; US National Science Foundation [CMMI-0824719, DMR-0905793] FX The work at Ames Laboratory was supported by the US Department of Energy (USDOE), Office of Science (OS), Office of Basic Energy Science (BES), under Ames Laboratory Contract No. DE-AC02-07CH11358. The high-energy X-ray work at the MUCAT sector of the APS was supported by the US Department of Energy, Office of Science, and Basic Energy Sciences under Contract No. DE-AC02-06CH11357. Work at UW was supported by the US National Science Foundation under contracts CMMI-0824719 and DMR-0905793. The assistance of Materials Preparation Center of the Ames Laboratory is acknowledged for supplying the samples [19]. We thank Jon Hiller and Electron Microscopy Center of Argonne National Laboratory for their valuable help in fabricating APT specimens with FIB. Appreciation is expressed to Xiaowei Fang for his valuable help in ab initio calculations. NR 34 TC 14 Z9 14 U1 1 U2 49 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 FEB PY 2012 VL 60 IS 3 BP 994 EP 1003 DI 10.1016/j.actamat.2011.11.008 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 903YA UT WOS:000301157900022 ER PT J AU Zhang, LZ Rollett, AD Bartel, T Wu, D Lusk, MT AF Zhang, Liangzhe Rollett, Anthony D. Bartel, Timothy Wu, Di Lusk, Mark T. TI A calibrated Monte Carlo approach to quantify the impacts of misorientation and different driving forces on texture development SO ACTA MATERIALIA LA English DT Article DE Calibrated Monte Carlo; Grain boundary anisotropy; Microstructural evolution; Misorientation; Recrystallization ID ANISOTROPIC SURFACE-TENSION; 3-DIMENSIONAL ISING-MODEL; GRAIN-BOUNDARY PROPERTIES; FRONT-TRACKING METHOD; POTTS-MODEL; MICROSTRUCTURE EVOLUTION; COMPUTER-SIMULATION; CELLULAR-AUTOMATON; THIN-FILMS; GROWTH AB A calibrated Monte Carlo (cMC) approach, which quantifies grain boundary kinetics within a generic setting, is presented. The influence of misorientation is captured by adding a scaling coefficient in the spin flipping probability equation, while the contribution of different driving forces is weighted using a partition function. The calibration process relies on the established parametric links between Monte Carlo (MC) and sharp-interface models. The cMC algorithm quantifies microstructural evolution under complex thermomechanical environments and remedies some of the difficulties associated with conventional MC models. After validation, the cMC approach is applied to quantify the texture development of polycrystalline materials with influences of misorientation and inhomogeneous bulk energy across grain boundaries. The results are in good agreement with theory and experiments. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Zhang, Liangzhe; Lusk, Mark T.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Rollett, Anthony D.] Carnegie Mellon Univ, Mat Sci & Engn Dept, Pittsburgh, PA 15213 USA. [Bartel, Timothy] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Wu, Di] Northeastern Univ, State Key Lab Rolling & Automat, Shenyang 110024, Peoples R China. RP Zhang, LZ (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM liangzhezhang@gmail.com RI Rollett, Anthony/A-4096-2012 OI Rollett, Anthony/0000-0003-4445-2191 FU Sandia National Laboratories under LDRD [09-0298]; National Science Foundation; National Renewable Energy Laboratories; Office of Naval Research [N00014-06-0183] FX The research is supported by Sandia National Laboratories under LDRD Contract 09-0298. Sandia National Laboratories are operated by the Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy. We acknowledge the Golden Energy Computing Organization at the Colorado School of Mines for the use of resources acquired with financial assistance from the National Science Foundation and the National Renewable Energy Laboratories. We also acknowledge support from the Office of Naval Research under Contract N00014-06-0183. NR 54 TC 7 Z9 7 U1 1 U2 7 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 FEB PY 2012 VL 60 IS 3 BP 1201 EP 1210 DI 10.1016/j.actamat.2011.10.057 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 903YA UT WOS:000301157900041 ER PT J AU Wei, CT Vitali, E Jiang, F Du, SW Benson, DJ Vecchio, KS Thadhani, NN Meyers, MA AF Wei, C. T. Vitali, E. Jiang, F. Du, S. W. Benson, D. J. Vecchio, K. S. Thadhani, N. N. Meyers, M. A. TI Quasi-static and dynamic response of explosively consolidated metal-aluminum powder mixtures SO ACTA MATERIALIA LA English DT Article DE Powder consolidation; Dynamic mechanical analysis; Finite element analysis; Aluminum; Dynamic compaction ID NI-MO SYSTEM; COMBUSTION SYNTHESIS; SHOCK CONSOLIDATION; STRAIN-RATE; MICROSTRUCTURE; COMPOSITES; FRACTURE AB Nearly fully dense (>96% theoretical maximum density) powder mixture compacts with combinations of Nb, Ni, Mo, W, and Ta, with Al, were produced by explosive consolidation. The quasi-static and dynamic behavior and failure mechanisms were investigated experimentally and computationally. For two mixtures (Ni + Al, W + Al) the Al phase was continuous, while for the other three mixtures (Nb + Al, Ta + Al, Mo + Al), the Al phase was discontinuous. It was found that the continuous phase significantly influenced the mechanical response (in compression) and determined the fracture morphology of the compacts. Accordingly, the mixtures with continuous Al phases had the lowest compressive strength. Two distinct failure mechanisms, axial splitting and shear failure, were observed. Axial splitting occurred when the Al phase was continuous (Ni + Al, W + Al); shear failure was primarily associated with extensive deformation of the Nb, Ta and Mo continuous phases. Finite element simulations provide valuable help in interpreting the experimental results and predicting mechanical strength and failure mechanisms akin to those observed. The interfacial bonding strength is shown to be an important parameter in determining the mechanical response of the compacts. (C) 2011 Published by Elsevier Ltd. on behalf of Acta Materialia Inc. C1 [Wei, C. T.; Jiang, F.; Benson, D. J.; Vecchio, K. S.; Meyers, M. A.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Du, S. W.; Thadhani, N. N.] Georgia Inst Technol, Atlanta, GA 30332 USA. [Vitali, E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Meyers, MA (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. EM mameyers@ucsd.edu RI Meyers, Marc/A-2970-2016 OI Meyers, Marc/0000-0003-1698-5396 FU US Navy under the MURI [ONR MURI N00014-61007-1-0740] FX The authors are thankful to Mr. Daniel Fondse, whose help with preliminary characterization and mechanical testing on the reactive mixtures was essential. They also gratefully acknowledge the assistance from Dr. Eric Herbold with the high-speed camera setup, and Dr. Gustaf Arrhenius with the XRD analysis. This research was supported by the US Navy under the MURI Program (Grant ONR MURI N00014-61007-1-0740). NR 42 TC 14 Z9 14 U1 2 U2 19 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 FEB PY 2012 VL 60 IS 3 BP 1418 EP 1432 DI 10.1016/j.actamat.2011.10.027 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 903YA UT WOS:000301157900063 ER PT J AU Semin, BK Davletshina, LN Ivanov, II Seibert, M Rubin, AB AF Semin, B. K. Davletshina, L. N. Ivanov, I. I. Seibert, M. Rubin, A. B. TI Rapid Degradation of the Tetrameric Mn Cluster in Illuminated, PsbO-Depleted Photosystem II Preparations SO BIOCHEMISTRY-MOSCOW LA English DT Article DE photosystem II; oxygen-evolving complex; manganese; PsbO extrinsic protein ID PHOTOSYNTHETIC OXYGEN-EVOLUTION; COLORIMETRIC DETERMINATION; FLUORESCENCE TRANSIENTS; 16-KDA PROTEINS; POLYPEPTIDE; PARTICLES; MEMBRANES; MANGANESE; COMPLEX; CHLORIDE AB A "decoupling effect" (light-induced electron transport without O-2 evolution) was observed in Ca-depleted photosystem II (PSII(-Ca)) membranes, which lack PsbP and PsbQ (Semin et al. (2008) Photosynth. Res., 98, 235-249). Here PsbO-depleted PSII (PSII(-PsbO)) membranes (which also lack PsbP and PsbQ) were used to examine effects of PsbO on the decoupling. PSII(-PsbO) membranes do not reduce the acceptor 2,6-dichlorophenolindophenol (DCIP), in contrast to PSII(-Ca) membranes. To understand why DCIP reduction is lost, we studied light effects on the Mn content of PSII(-PsbO) samples and found that when they are first illuminated, Mn cations are rapidly released from the Mn cluster. Addition of an electron acceptor to PSII(-PsbO) samples accelerates the process. No effect of light was found on the Mn cluster in PSII(-Ca) membranes. Our results demonstrate that: (a) the oxidant, which directly oxidizes an as yet undefined substrate in PSII(-Ca) membranes, is the Mn cluster (not the Y-Z radical or P680(+)); (b) light causes rapid release of Mn cations from the Mn cluster in PSII(-PsbO) membranes, and the mechanism is discussed; and (c) rapid degradation of the Mn cluster under illumination is significant for understanding the lack of functional activity in some PSII(-PsbO) samples reported by others. C1 [Semin, B. K.; Davletshina, L. N.; Ivanov, I. I.; Rubin, A. B.] Moscow MV Lomonosov State Univ, Fac Biol, Moscow 119991, Russia. [Seibert, M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Semin, BK (reprint author), Moscow MV Lomonosov State Univ, Fac Biol, Moscow 119991, Russia. EM semin@biophys.msu.ru; davlet@biophys.msu.ru; ivanov@biophys.msu.ru; mike.seibert@nrel.gov; rubin@biophys.msu.ru FU Russian Foundation for Basic Research [08-04-00490, 08-04-00354]; Photosynthesis Systems Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy FX This study was supported by the Russian Foundation for Basic Research, project Nos. 08-04-00490 (BS, LD) and 08-04-00354 (AR), and by the Photosynthesis Systems Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy (MS). NR 21 TC 6 Z9 6 U1 0 U2 10 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 0006-2979 J9 BIOCHEMISTRY-MOSCOW+ JI Biochem.-Moscow PD FEB PY 2012 VL 77 IS 2 BP 152 EP 156 DI 10.1134/S0006297912020058 PG 5 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 900IE UT WOS:000300879500005 PM 22348474 ER PT J AU Assary, RS Curtiss, LA AF Assary, Rajeev S. Curtiss, Larry A. TI Comparison of Sugar Molecule Decomposition through Glucose and Fructose: A High-Level Quantum Chemical Study SO ENERGY & FUELS LA English DT Article ID CATALYTIC CONVERSION; MODEL COMPOUNDS; BIOMASS; WATER; ACID; ISOMERIZATION; MECHANISM; CONDENSATION; HYDROCARBONS; PREDICTION AB Efficient chemical conversion of biomass is essential to produce sustainable energy and industrial chemicals. Industrial level conversion of glucose to useful chemicals, such as furfural, hydroxymethylfurfural, and levulinic acid, is a Major step in the biomass conversion but is difficult because of the formation of undesired products and side reactions. To understand the molecular level reaction mechanisms involved in the decomposition of glucose and fructose, we have carried out high-level quantum chemical calculations [Gaussian-4 (G4) theory]. Selective 1,2-dehydration, keto-enol tautomerization, isomerization, retro-aldol condensation, and hydride shifts of glucose and fructose molecules were investigated. Detailed kinetic and thermodynamic analyses indicate that, for acyclic glucose and fructose molecules, the dehydration and isomerization require larger activation barriers compared to the retro-aldol reaction at 298 K in neutral medium. The retro-aldol reaction results in the formation of C2 and C4 species from glucose and C3 species from fructose. The formation of the most stable C3 species, dihydroxyacetone from fructose, is thermodynamically downhill. The 1,3-hydride shift leads to the cleavage of the C-C bond in the acyclic species; however, the enthalpy of activation is significantly higher (50-55 kcal/mol) than that of the retro-aldol reaction (38 kcal/mol) mainly because of the sterically hindered distorted four-membered transition state compared to the hexa-membered transition state in the retro-aldol reaction. Both tautomerization and dehydration are catalyzed by a water molecule in aqueous medium; however, water has little effect on the retro-aldol reaction. Isomerization of glucose to fructose and glyceraldehyde to dihydroxyacetone proceeds through hydride shifts that require an activation enthalpy of about 40 kcal/mol at 298 K in water medium. This investigation maps out accurate energetics of the decomposition of glucose and fructose molecules that is needed to help find more efficient catalyts for the conversion of hexose to useful chemicals. C1 [Assary, Rajeev S.; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Assary, Rajeev S.] Northwestern Univ, Evanston, IL 60208 USA. [Curtiss, Larry A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Assary, RS (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM assary@anl.gov; curtiss@anl.gov RI Surendran Assary, Rajeev/E-6833-2012 OI Surendran Assary, Rajeev/0000-0002-9571-3307 FU U.S. Department of Energy [DE-AC0206CH11357]; Institute for Atom-Efficient Chemical Transformations (IACT), an Energy Frontier Research Center; Office of Science and Office of Basic Energy Sciences of the U.S. Department of Energy; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy under Contract DE-AC0206CH11357. This material is based on work supported as part of the Institute for Atom-Efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the Office of Science and Office of Basic Energy Sciences of the U.S. Department of Energy. We gratefully acknowledge grants of computer time from the Argonne National Laboratory (ANL) Laboratory Computing Resource Center (LCRC) and the ANL Center for Nanoscale Materials. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC02-05CH11231 NR 43 TC 35 Z9 36 U1 1 U2 74 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 FEB PY 2012 VL 26 IS 2 BP 1344 EP 1352 DI 10.1021/ef201654s PG 9 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 892GQ UT WOS:000300275100063 ER PT J AU Ben-Naim, E Krapivsky, PL AF Ben-Naim, E. Krapivsky, P. L. TI Popularity-driven networking SO EPL LA English DT Article ID GELATION AB We investigate the growth of connectivity in a network. In our model, starting with a set of disjoint nodes, links are added sequentially. Each link connects two nodes, and the connection rate governing this random process is proportional to the degrees of the two nodes. Interestingly, this network exhibits two abrupt transitions, both occurring at finite times. The first is a percolation transition in which a giant component, containing a finite fraction of all nodes, is born. The second is a condensation transition in which the entire system condenses into a single, fully connected, component. We derive the size distribution of connected components as well as the degree distribution, which is purely exponential throughout the evolution. Furthermore, we present a criterion for the emergence of sudden condensation for general homogeneous connection rates. Copyright (C) EPLA, 2012 C1 [Ben-Naim, E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Ben-Naim, E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Krapivsky, P. L.] Boston Univ, Dept Phys, Boston, MA 02215 USA. RP Ben-Naim, E (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM ebn@lanl.gov RI Ben-Naim, Eli/C-7542-2009; Krapivsky, Pavel/A-4612-2014 OI Ben-Naim, Eli/0000-0002-2444-7304; FU DOE [DE-AC52-06NA25396]; NSF [CCF-0829541] FX This research was supported by DOE grant DE-AC52-06NA25396 and NSF grant CCF-0829541. NR 29 TC 3 Z9 3 U1 0 U2 4 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 FEB PY 2012 VL 97 IS 4 AR 48003 DI 10.1209/0295-5075/97/48003 PG 6 WC Physics, Multidisciplinary SC Physics GA 899VH UT WOS:000300844100038 ER PT J AU van Vuuren, DP Riahi, K Moss, R Edmonds, J Thomson, A Nakicenovic, N Kram, T Berkhout, F Swart, R Janetos, A Rose, SK Arnell, N AF van Vuuren, Detlef P. Riahi, Keywan Moss, Richard Edmonds, Jae Thomson, Allison Nakicenovic, Nebojsa Kram, Tom Berkhout, Frans Swart, Rob Janetos, Anthony Rose, Steven K. Arnell, Nigel TI A proposal for a new scenario framework to support research and assessment in different climate research communities SO GLOBAL ENVIRONMENTAL CHANGE-HUMAN AND POLICY DIMENSIONS LA English DT Article DE Climate change; Scenario analysis; Integrated assessment; Mitigation; Adaptation; Climate impacts ID EXPERT JUDGMENTS; IMPACT ASSESSMENT; VULNERABILITY; COSTS; STABILIZATION; ADAPTATION; STRATEGIES AB In this paper, we propose a scenario framework that could provide a scenario "thread" through the different climate research communities (climate change - vulnerability, impact, and adaptation - and mitigation) in order to support assessment of mitigation and adaptation strategies and climate impacts. The scenario framework is organized around a matrix with two main axes: radiative forcing levels and socio-economic conditions. The radiative forcing levels (and the associated climate signal) are described by the new Representative Concentration Pathways. The second axis, socio-economic developments comprises elements that affect the capacity for mitigation and adaptation, as well as the exposure to climate impacts. The proposed scenarios derived from this framework are limited in number, allow for comparison across various mitigation and adaptation levels, address a range of vulnerability characteristics, provide information across climate forcing and vulnerability states and span a full century time scale. Assessments based on the proposed scenario framework would strengthen cooperation between integrated-assessment modelers, climate modelers and vulnerability, impact and adaptation researchers, and most importantly, facilitate the development of more consistent and comparable research within and across these research communities. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Riahi, Keywan; Nakicenovic, Nebojsa] IIASA, Laxenbourg, Austria. [Moss, Richard; Edmonds, Jae; Thomson, Allison; Janetos, Anthony] Pacific NW Natl Lab, Joint Global Change Res Inst, Richland, WA 99352 USA. [Moss, Richard; Edmonds, Jae; Thomson, Allison; Janetos, Anthony] Univ Maryland, College Pk, MD 20742 USA. [Berkhout, Frans] Vrije Univ Amsterdam, Inst Environm Studies IVM, Amsterdam, Netherlands. [Berkhout, Frans] Vrije Univ Amsterdam, Amsterdam Global Change Inst, Amsterdam, Netherlands. [Swart, Rob] Univ Wageningen & Res Ctr, Earth Syst Sci & Climate Change Grp, NL-6700 HB Wageningen, Netherlands. [Arnell, Nigel] Univ Reading, Walker Inst, Reading RG6 2AH, Berks, England. [van Vuuren, Detlef P.] Univ Utrecht, Fac Geosci, NL-3508 TC Utrecht, Netherlands. [Nakicenovic, Nebojsa] Vienna Univ Technol, Vienna, Austria. RP van Vuuren, DP (reprint author), Netherlands Environm Assessment Agcy, POB 303, NL-3720 AH Bilthoven, Netherlands. EM detlef.vanvuuren@pbl.nl; riahi@iiasa.ac.at; rhm@pnl.gov; jae@pnl.gov; allison.thomson@pnl.gov; naki@iiasa.ac.at; tom.kram@pbl.nl; frans.berkhout@ivm.vu.nl; rob.swart@wur.nl; Anthony.janetos@pnl.gov; srose@epri.com; n.w.arnell@reading.ac.uk RI Thomson, Allison/B-1254-2010; Berkhout, Frans/N-4196-2013; van Vuuren, Detlef/A-4764-2009; Riahi, Keywan/B-6426-2011; OI Berkhout, Frans/0000-0001-8668-0470; van Vuuren, Detlef/0000-0003-0398-2831; Riahi, Keywan/0000-0001-7193-3498; Swart, Rob/0000-0002-1563-1150 NR 46 TC 79 Z9 79 U1 3 U2 33 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0959-3780 J9 GLOBAL ENVIRON CHANG JI Glob. Environ. Change-Human Policy Dimens. PD FEB PY 2012 VL 22 IS 1 BP 21 EP 35 DI 10.1016/j.gloenvcha.2011.08.002 PG 15 WC Environmental Sciences; Environmental Studies; Geography SC Environmental Sciences & Ecology; Geography GA 899LN UT WOS:000300817500004 ER PT J AU Zheng, P Greve, DW Oppenheim, IJ Chin, TL Malone, V AF Zheng, Peng Greve, David W. Oppenheim, Irving J. Chin, Tao-Lun Malone, Vanessa TI Langasite Surface Acoustic Wave Sensors: Fabrication and Testing SO IEEE TRANSACTIONS ON ULTRASONICS FERROELECTRICS AND FREQUENCY CONTROL LA English DT Article DE Temperature measurement; Surface acoustic wave devices; Temperature sensors; Wireless communication; Wireless sensor networks; Reflection ID HIGH-TEMPERATURE APPLICATIONS; SAW SENSORS AB We report on the development of harsh-environment surface acoustic wave sensors for wired and wireless operation. Surface acoustic wave devices with an interdigitated transducer emitter and multiple reflectors were fabricated on langasite substrates. Both wired and wireless temperature sensing was demonstrated using radar-mode (pulse) detection. Temperature resolution of better than +/- 0.5 degrees C was achieved between 200 degrees C and 600 degrees C. Oxygen sensing was achieved by depositing a layer of ZnO on the propagation path. Although the ZnO layer caused additional attenuation of the surface wave, oxygen sensing was accomplished at temperatures up to 700 degrees C. The results indicate that langasite SAW devices are a potential solution for harsh-environment gas and temperature sensing. C1 [Zheng, Peng; Greve, David W.; Oppenheim, Irving J.; Chin, Tao-Lun] Natl Energy Technol Lab, Pittsburgh, PA USA. [Zheng, Peng] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Greve, David W.; Chin, Tao-Lun] Carnegie Mellon Univ, Dept Elect & Comp Engn, Pittsburgh, PA 15213 USA. [Oppenheim, Irving J.; Malone, Vanessa] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. [Malone, Vanessa] Carnegie Mellon Univ, Green Roof Project, Pittsburgh, PA 15213 USA. [Malone, Vanessa] Carnegie Mellon Univ, Crystal Sensing Project, Pittsburgh, PA 15213 USA. RP Zheng, P (reprint author), Natl Energy Technol Lab, Pittsburgh, PA USA. EM dg07@andrew.cmu.edu FU National Energy Technology Laboratory under Research and Engineering Services [DE-FE0004000] FX This work was performed in support of research on carbon storage at the National Energy Technology Laboratory under Research and Engineering Services contract DE-FE0004000. NR 31 TC 7 Z9 7 U1 0 U2 23 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-3010 J9 IEEE T ULTRASON FERR JI IEEE Trans. Ultrason. Ferroelectr. Freq. Control PD FEB PY 2012 VL 59 IS 2 BP 295 EP 303 DI 10.1109/TUFFC.2012.2190 PG 9 WC Acoustics; Engineering, Electrical & Electronic SC Acoustics; Engineering GA 899WK UT WOS:000300847100014 PM 24626038 ER PT J AU Chiang, JT Haas, JJ Choi, J Hu, YC AF Chiang, Jerry T. Haas, Jason J. Choi, Jihyuk Hu, Yih-Chun TI Secure Location Verification Using Simultaneous Multilateration SO IEEE TRANSACTIONS ON WIRELESS COMMUNICATIONS LA English DT Article DE Location verification; distance bounding; multilateration AB Substantial effort has been invested on secure location verification in hope to enable mobile wireless systems to optimize system performance or securely confer rights based on the participants' locations. However, most previous studies do not address the impact of, and are often susceptible to, collusion attacks in which adversaries share their private keys. In this paper, we propose a secure multilateration scheme. Given the same processing delay, detection threshold, and assuming zero synchronization error between verifiers, our proposed scheme achieves the highest rate of false-location detection by any verification system based solely on time-of-flight measurements. We also show that our scheme is resilient to collusion attacks if the verification system can detect the distance enlargement attack. We propose using other physical measurements to mitigate the distance enlargement, and thus also the collusion, attacks. To the best of our knowledge, this is the first attempt to prevent collusion attacks by mitigating the distance enlargement attack. C1 [Chiang, Jerry T.] Adv Digital Sci Ctr, Singapore, Singapore. [Haas, Jason J.] Sandia Natl Labs, Comp Syst & Technol Business Area, Albuquerque, NM 87185 USA. [Choi, Jihyuk; Hu, Yih-Chun] Univ Illinois, Dept Elect & Comp Engn, Urbana, IL USA. [Chiang, Jerry T.; Haas, Jason J.; Choi, Jihyuk; Hu, Yih-Chun] Univ Illinois, Chicago, IL 60680 USA. RP Chiang, JT (reprint author), Adv Digital Sci Ctr, Singapore, Singapore. EM jerry.chiang@adsc.com.sg; jjhaas@sandia.gov; jchoi43@illinois.edu; yihchun@illinois.edu FU USARO [W-911-NF-0710287]; NSF [NSF CNS-0953600] FX This material is based upon work partially supported by USARO under Contract No. W-911-NF-0710287 and by NSF under Contract No. NSF CNS-0953600. The views and conclusions contained here are those of the authors and should not be interpreted as necessarily representing the official policies or endorsements, either express or implied, of the ARO, NSF, the University of Illinois, the Sandia National Laboratories, the Advanced Digital Sciences Center, or the U.S. Government or any of its agencies. NR 14 TC 14 Z9 14 U1 0 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1536-1276 J9 IEEE T WIREL COMMUN JI IEEE Trans. Wirel. Commun. PD FEB PY 2012 VL 11 IS 2 BP 584 EP 591 DI 10.1109/TWC.2011.120911.101147 PG 8 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 894KQ UT WOS:000300426000016 ER PT J AU Schwendeman, DW Kapila, AK Henshaw, WD AF Schwendeman, Donald W. Kapila, Ashwani K. Henshaw, William D. TI A comparative study of two macro-scale models of condensed-phase explosives SO IMA JOURNAL OF APPLIED MATHEMATICS LA English DT Article DE reactive flow; detonation; Euler equations; Godunov methods; corner turning; diffraction ID TO-DETONATION TRANSITION; RESOLUTION GODUNOV METHOD; OVERLAPPING GRIDS; 2-PHASE DETONATION; GRANULAR-MATERIALS; REACTIVE FLOW; DEFLAGRATION; DIFFRACTION; IGNITION; GROWTH AB Two macro-scale models of high-energy condensed-phase explosives are considered. The first, called ignition and growth, treats the heterogeneous explosive as a homogeneous mixture of reacting and product species. The second model treats the explosive as two distinct, but interacting, phases. Both models are hyperbolic systems of non-linear partial differential equations involving balance laws of mass, momentum and energy and involving assumed constitutive input and reaction kinetics. The two-phase model also involves stiff relaxation terms and nozzling terms that prevent the equations from being cast in conservation form. A high-resolution shock-capturing scheme on overlapping grids, with parallel adaptive mesh refinement, is used to solve the governing equations accurately. The purpose of the paper was to compare solutions of the two models for macro-scale problems involving detonation initiation and diffraction. This is done to illustrate strengths and weaknesses of the models and to suggest modifications and extensions of the models for further study. C1 [Schwendeman, Donald W.; Kapila, Ashwani K.] Rensselaer Polytech Inst, Dept Math Sci, Troy, NY 12180 USA. [Henshaw, William D.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. RP Schwendeman, DW (reprint author), Rensselaer Polytech Inst, Dept Math Sci, Troy, NY 12180 USA. EM schwed@rpi.edu FU National Science Foundation [DMS-1016188]; Lawrence Livermore National Laboratory [B574692]; U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; DOE Office of Advanced Scientific Computing Research FX National Science Foundation (DMS-1016188 to D. W. S. and A. K. K.); Lawrence Livermore National Laboratory (subcontract B574692 to D. W. S.). The work of W.D.H. was performed under the auspices of the U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and funded by the Applied Math Program of the DOE Office of Advanced Scientific Computing Research. NR 22 TC 0 Z9 0 U1 1 U2 9 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0272-4960 EI 1464-3634 J9 IMA J APPL MATH JI IMA J. Appl. Math. PD FEB PY 2012 VL 77 IS 1 SI SI BP 2 EP 17 DI 10.1093/imamat/hxr078 PG 16 WC Mathematics, Applied SC Mathematics GA 891UW UT WOS:000300243100002 ER PT J AU Salazar-Villalpando, MD AF Salazar-Villalpando, Maria D. TI Syn-gas generation in the absence of oxygen and isotopic exchange reactions over Rh & Pt/doped-ceria catalysts SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Syn-gas; Methane decomposition; Oxygen isotopic exchange; Doped ceria; Hydrogen ID SURFACE-AREA CATALYSTS; CEO2-ZRO2 MIXED OXIDES; PARTIAL OXIDATION; STORAGE CAPACITY; REDOX TREATMENTS; 3-WAY CATALYSTS; DOPED CERIA; METHANE; BEHAVIOR; TEMPERATURE AB Syn-gas generation in the absence of oxygen by methane decomposition offers an interesting route to decrease reactor size and cost because methane is the only reactant in the gas phase. In this work, several catalysts were studied, Rh/CeO2, Pt/CeO2, Rh/(Ce0.91Gd0.09) O2-x, Pt/(Ce0.91Gd0.09)O2-x, Rh/gamma-Al2O3 and Pt/gamma-Al2O3 for methane reforming in the absence of gaseous oxygen. Rhodium showed a superior catalytic activity and selectivity with respect to Pt. This catalytic behavior may be due to the strong metal-support interaction, associated with the formation of mixed metal-oxide species at the interface. The addition of Gd3+ to ceria lowered the required temperatures for catalyst activation with respect to the un-doped material. Conversely to oxygen ion conducting materials, which showed a high selectivity for syn-gas generation, the non-oxygen conducting catalysts did not generated carbon monoxide. These results may be correlated to their oxygen storage capacity and ionic conductivity. Since gaseous oxygen was not delivered to the reactor, it is clear that the only source of oxygen was the catalyst. During the isothermal isotopic oxygen exchange experiments over Pt/(Ce0.91Gd0.09))O2-x and Pt/gamma-Al2O3, results illustrated that oxygen in the gas phase was exchanged with the oxygen from the catalyst. Three different molecules were detected O-16-O-18, O-16-O-16 and (OO)-O-18-O-18. A higher amount of oxygen was exchanged over Pt/(Ce0.91Gd0.09)O2-x with respect to Pt/gamma-Al2O3. It is proposed that mainly lattice and surface oxygen were exchanged over Pt/(Ce0.91Gd0.09)O2-x and Pt/gamma-Al2O3, respectively. It is also suggested that two types of reaction mechanisms take place, the simple and multiple hetero-exchange with the participation of one and two catalyst oxygen atoms, respectively. Similarly to methane reforming, lower temperatures were required for the oxygen exchange experiments over Rh than over Pt, as illustrated by results of the temperature-programmed exchange reactions. In summary, the properties of doped ceria may open new catalytic routes for oxidation reactions without gaseous oxygen because post-oxidation can restore its oxygen storage capacity. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Salazar-Villalpando, MD (reprint author), US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. EM maria.salazar@netl.doe.gov NR 38 TC 2 Z9 2 U1 4 U2 27 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 FEB PY 2012 VL 37 IS 3 BP 2121 EP 2128 DI 10.1016/j.ijhydene.2011.10.103 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300006 ER PT J AU Johnson, TA Kanouff, MP AF Johnson, Terry A. Kanouff, Michael P. TI Development of a hydrogen catalytic heater for heating metal hydride hydrogen storage systems SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Catalytic heater; Hydrogen storage; Compact heat exchanger; Reactor ID MICRO-COMBUSTORS; FABRICATION; OXIDATION; PALLADIUM AB This paper describes the design, fabrication and performance evaluation of a high efficiency, compact heater that uses the catalytic oxidation of hydrogen to provide heat to a hydrogen storage system. The heater was designed to transfer up to 30 kW of heat from the catalytic reaction to the hydrogen storage system via a recirculating heat transfer fluid. The catalytic heater consists of three main parts: 1) the reactor, 2) the gas heat recuperator, and 3) oil and gas flow distribution manifolds. The reactor and recuperator are integrated, compact, finned-plate heat exchangers to maximize heat transfer efficiency and minimize mass and volume. Detailed, three-dimensional, multi-physics computational models were used to design and optimize the system. At full power the heater was able to catalytically combust a 10% hydrogen/air mixture flowing at over 80 cubic feet per minute and transfer 30 kW of heat to a 30 gallon per minute flow of oil over a temperature range from 100 degrees C to 220 degrees C. The total efficiency of the catalytic heater, defined as the heat transferred to the oil divided by the inlet hydrogen chemical energy, was determined to exceed the design goal of 80% for oil temperatures from 60 degrees C to 165 degrees C. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Johnson, Terry A.; Kanouff, Michael P.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Johnson, TA (reprint author), Sandia Natl Labs, 7011 E Ave, Livermore, CA 94551 USA. EM tajohns@sandia.gov FU Chemical and Environmental Sciences Laboratory at General Motors Research and Development Center; GM; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by the Chemical and Environmental Sciences Laboratory at General Motors Research and Development Center (Jim Spearot, Director (retired)). The authors wish to acknowledge the program support from GM as well as the technical guidance of Scott Jorgensen, Sudarshan Kumar, and Robert Stephens (retired). Additionally, the authors would like to acknowledge the work of a number of individuals that contributed to this project. The catalyst coating was initially suggested by Tim Shepodd and further developed by LeRoy Whinnery and April Nissen who coated the reactor with help from Pat Keifer. The design of the system was performed with the help of Yon Perras and Sal Birtola. Finally, integration with test apparatus, balance of plant, data acquisition and controls was carried out by Yon Perras, Mark Zimmerman and George Sartor. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 24 TC 9 Z9 9 U1 1 U2 8 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 FEB PY 2012 VL 37 IS 3 BP 2304 EP 2319 DI 10.1016/j.ijhydene.2011.09.158 PG 16 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300028 ER PT J AU Mohtadi, R Sivasubramanian, P Hwang, SJ Stowe, A Gray, J Matsunaga, T Zidan, R AF Mohtadi, Rana Sivasubramanian, PremKumar Hwang, Son-Jong Stowe, Ashley Gray, Joshua Matsunaga, Tomoya Zidan, Ragaiy TI Alanate-borohydride material systems for hydrogen storage applications SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Onboard hydrogen storage; Alanate; Lithium borohydride; Thermal properties; MAS NMR ID SODIUM ALUMINUM-HYDRIDE; 2 SOLVENT ADDUCTS; THERMAL-DECOMPOSITION; METAL BOROHYDRIDES; CALCIUM ALANATE; NMR; MG(ALH4)(2); SPECTRA; LIALH4; LIBH4 AB Alteration of the thermodynamic stability of selected borohydride/alanate systems, including the combination of LiBH4 with NaAlH4 and LiBH4 with CaCl2 and LiAlH4, was investigated to determine the possibility of forming intermediate stability mixed AlH4--BH4- phase. Facile metathesis exchange reactions were observed when NaAlH4 was combined with LiBH4 resulting in the formation of LiAlH4 and NaBH4. Thermal analysis of this system showed that the 1st and 2nd decomposition of LiAlH4 occurred irrespective of NaBH4 illustrating the absence molecular level interaction between the AlH4- and the BH4- anions. On the other hand, in the case of CaCl2, LiAlH4, LiBH4 combination, the results showed the formation of a calcium alanate type phase. Evaluation of the thermal property of this system showed an endothermic one step decomposition between 130 degrees C and 200 degrees C (2.3 wt % loss). Structural examination of this calcium alanate type phase revealed a different local coordination geometry of AlH4- from that observed in calcium alanate. The formation and properties of this phase are being attributed to molecular level AlH4--BH4- interactions. These findings provide a pathway toward designing novel alanates-borohydrides systems for hydrogen storage applications. This article will show the methodologies followed and explain the results obtained. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Mohtadi, Rana; Sivasubramanian, PremKumar] Toyota Res Inst N Amer, Ann Arbor, MI 48105 USA. [Hwang, Son-Jong] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Gray, Joshua; Zidan, Ragaiy] Savannah River Natl Lab, Aiken, SC 29808 USA. [Matsunaga, Tomoya] Toyota Motor Co Ltd, Shizuoka 4101193, Japan. RP Mohtadi, R (reprint author), Toyota Res Inst N Amer, Ann Arbor, MI 48105 USA. EM rana.mohtadi@tema.toyota.com; ragaiy.zidan@srnl.doe.gov FU Toyota Motor Engineering and Manufacturing North America; National Science Foundation (NSF) [9724240]; MRSEC of the NSF [DMR-520565] FX The authors would like to thank Dr. Hanno Zur Loye at the Department of Chemistry and Biochemistry, University of South Carolina, for conducting the X-ray diffraction experiments and for the helpful discussions. Also, the authors would like to thank Dr. Ted Motyka at Savannah River National Laboratory for managing the research project and for his helpful insight. Finally, many thanks for Dr. Jason Graetz at Brookhaven National Laboratory for providing the Dow alane sample. Funding for the work was provided by Toyota Motor Engineering and Manufacturing North America. The NMR facility at Caltech was supported by the National Science Foundation (NSF) under Grant Number 9724240 and partially supported by the MRSEC Program of the NSF under Award Number DMR-520565. NR 45 TC 9 Z9 9 U1 2 U2 41 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 FEB PY 2012 VL 37 IS 3 BP 2388 EP 2396 DI 10.1016/j.ijhydene.2011.10.076 PG 9 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300036 ER PT J AU Anton, DL Garrison, SL Gorensek, MB Sherman, SR AF Anton, Donald L. Garrison, Stephen L. Gorensek, Maximilian B. Sherman, Steven R. TI Preface SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Editorial Material C1 [Anton, Donald L.; Garrison, Stephen L.; Gorensek, Maximilian B.; Sherman, Steven R.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Garrison, SL (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM stephen.garrison@srnl.doe.gov OI Gorensek, Maximilian/0000-0002-4322-9062 NR 0 TC 0 Z9 0 U1 0 U2 0 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 FEB PY 2012 VL 37 IS 3 BP 2713 EP 2714 DI 10.1016/j.ijhydene.2012.01.013 PG 2 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300073 ER PT J AU Price, C Gray, J Lascola, R Anton, DL AF Price, Christine Gray, Joshua Lascola, Robert, Jr. Anton, Donald L. TI The effects of halide modifiers on the sorption kinetics of the Li-Mg-N-H System SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen storage; Amides; Metal hydrides; Kinetics; Raman; XRD ID HYDROGEN STORAGE APPLICATIONS; SODIUM ALUMINUM HYDRIDES; MAGNESIUM HYDRIDE; TRANSITION-METALS; DEHYDROGENATION; NITRIDES; TITANIUM AB The effects of different transition metal halides (TiCl3, VCl3, ScCl3 and NiCl2) on the sorption properties of the 1:1 molar ratio of LiNH2 to MgH2 are investigated. The modified mixtures were found to contain LiNH2, MgH2 and LiCl. TGA results showed that the hydrogen desorption temperature was reduced with the modifier addition in this order: TiCl3 > ScCl3 > VCl3 > NiCl2. Ammonia release was not significantly reduced resulting in a weight loss greater than the theoretical hydrogen storage capacity of the material. The isothermal sorption kinetics of the modified systems showed little improvement after the first dehydrogenation cycle over the unmodified system but showed drastic improvement in rehydrogenation cycles. X-ray diffraction and Raman spectroscopy identified the cycled material to be composed of LiH, MgH2, Mg(NH2)(2) and Mg3N2. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Price, Christine; Gray, Joshua; Lascola, Robert, Jr.; Anton, Donald L.] Savannah River Natl Lab, Aiken, SC 29803 USA. RP Anton, DL (reprint author), Savannah River Natl Lab, Aiken, SC 29803 USA. EM Donald.Anton@srnl.doe.gov OI Lascola, Robert/0000-0002-6784-5644 NR 31 TC 18 Z9 19 U1 0 U2 39 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 FEB PY 2012 VL 37 IS 3 BP 2742 EP 2749 DI 10.1016/j.ijhydene.2011.07.046 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300078 ER PT J AU Devarakonda, M Brooks, K Ronnebro, E Rassat, S AF Devarakonda, Maruthi Brooks, Kriston Roennebro, Ewa Rassat, Scot TI Systems modeling, simulation and material operating requirements for chemical hydride based hydrogen storage SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen storage; Chemical hydride; Ammonia borane; Systems modeling and simulation; Material operating requirements; On-board efficiency ID HIERARCHICAL METHODOLOGY; AMMONIA BORANE; DECOMPOSITION; KINETICS; RELEASE AB Research on ammonia borane (AB, NH3BH3) has shown it to be a promising material for chemical hydride based hydrogen storage. AB was selected by DOE's Hydrogen Storage Engineering Center of Excellence (HSECoE) as the initial chemical hydride of study because of its high hydrogen storage capacity (up to similar to 16% by weight for the release of similar to 2.5 M equivalents of hydrogen gas) and its stability under typical ambient conditions. Another promising candidate is alane, AlH3 (10.1% by weight). Materials operating requirements to use chemical hydrides for vehicle onboard storage are discussed. A flow-through system concept based on augers, ballast tank, hydrogen heat exchanger and H-2 burner was designed and implemented in simulation. In this design, the chemical hydride material was assumed to produce H-2 in the auger itself, thus minimizing the size of ballast tank and reactor. One dimensional models based on conservation of mass, species and energy were used to predict important state variables such as reactant and product concentrations, temperatures of various components, flow rates, along with pressure, in various components of the storage system. Various subsystem components in the models were coded as 'C' language S-functions and implemented in Matlab/Simulink. Steady state simulation results for all the three candidate materials (solid AB, liquid AB and alane) were presented to show the proof of concept, whereas the drive cycle simulations were discussed only for solid AB using the fuel cell H-2 demand for four different US drive cycles. Conditional logic based controllers that control the material flow rate into the reactor and to control the H-2 fed to the burner were developed and implemented in drive cycle simulations. Simulation results show that the proposed system meets most of the 2010 DOE targets, and is well above the required > 40% of the DOE targets for fill time, well-to-powerplant efficiency, and volumetric and gravimetric density. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Devarakonda, Maruthi; Brooks, Kriston; Roennebro, Ewa; Rassat, Scot] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Devarakonda, M (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM maruthi.devarakonda@pnl.gov FU US Department of Energy; US DOE [DE-AC05-76RLO1830] FX This work was done at PNNL, as a part of the Hydrogen Storage Engineering Center of Excellence (HSECoE) project, sponsored by the US Department of Energy. Special thanks to Darrell Herling, Jamie Holladay and Kevin Simmons at PNNL for valuable suggestions and discussions, to Troy Semelsberger (Los Alamos National Laboratory) for providing kinetics data on liquid AB and to Rajesh Ahluwalia (Argonne National Laboratory) for providing the kinetic parameters for liquid AB. PNNL is operated by Battelle for the US DOE under contract DE-AC05-76RLO1830. NR 25 TC 12 Z9 12 U1 0 U2 9 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 FEB PY 2012 VL 37 IS 3 BP 2779 EP 2793 DI 10.1016/j.ijhydene.2011.06.121 PG 15 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300082 ER PT J AU Corgnale, C Hardy, BJ Tamburello, DA Garrison, SL Anton, DL AF Corgnale, Claudio Hardy, Bruce J. Tamburello, David A. Garrison, Stephen L. Anton, Donald L. TI Acceptability envelope for metal hydride-based hydrogen storage systems SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen; Storage; Acceptability envelope; Metal hydrides; Heat transfer; Modeling ID HIERARCHICAL METHODOLOGY; MAGNESIUM HYDRIDE; MASS-TRANSFER; OPTIMIZATION; SORPTION; BEDS; LINH2-MGH2; KINETICS; REACTOR; MODELS AB The design and evaluation of media-based hydrogen storage systems requires the use of detailed numerical models and experimental studies, with significant amount of time and monetary investment. Thus a scoping tool, referred to as the Acceptability Envelope, was developed to screen preliminary candidate media and storage vessel designs, identifying the range of chemical, physical and geometrical parameters for the coupled media and storage vessel system that allow it to meet performance targets. The model which underpins the analysis allows simplifying the storage system, thus resulting in one input-one output scheme, by grouping of selected quantities. Two cases have been analyzed and results are presented here. In the first application the DOE technical targets (Year 2010, Year 2015 and Ultimate) are used to determine the range of parameters required for the metal hydride media and storage vessel. In the second case the most promising metal hydrides available are compared, highlighting the potential of storage systems, utilizing them, to achieve 40% of the 2010 DOE technical target. Results show that systems based on Li-Mg media have the best potential to attain these performance targets. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Corgnale, Claudio; Hardy, Bruce J.; Tamburello, David A.; Garrison, Stephen L.; Anton, Donald L.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Hardy, BJ (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM bruce.hardy@srnl.doe.gov FU U.S. Department of Energy FX This work was performed as part of the DOE Hydrogen Storage Engineering Center of Excellence (HSECoE); with the support of the U.S. Department of Energy gratefully acknowledged. The authors also wish to thank Drs. T. Motyka (Savannah River National Laboratory) and N. Stetson (U.S. Department of Energy) specifically for their useful suggestions. NR 33 TC 20 Z9 20 U1 0 U2 16 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 FEB PY 2012 VL 37 IS 3 BP 2812 EP 2824 DI 10.1016/j.ijhydene.2011.07.037 PG 13 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300086 ER PT J AU Johnson, TA Kanouff, MP Dedrick, DE Evans, GH Jorgensen, SW AF Johnson, Terry A. Kanouff, Michael P. Dedrick, Daniel E. Evans, Gregory H. Jorgensen, Scott W. TI Model-based design of an automotive-scale, metal hydride hydrogen storage system SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen storage; Sodium alanates; Metal hydride; Fuel cell ID HIERARCHICAL METHODOLOGY; SODIUM ALANATE; ABSORPTION; NAALH4; FLOWS AB Sandia and General Motors have successfully designed, fabricated, and experimentally operated a vehicle-scale hydrogen storage demonstration system using sodium alanates. The demonstration system module design and the system control strategies were enabled by experiment-based, computational simulations that included heat and mass transfer coupled with chemical kinetics. Module heat exchange systems were optimized using multi-dimensional models of coupled fluid dynamics and heat transfer. Chemical kinetics models were coupled with both heat and mass transfer calculations to design the sodium alanate vessels. Fluid flow distribution was a key aspect of the design for the hydrogen storage modules and computational simulations were used to balance heat transfer with fluid pressure requirements. An overview of the hydrogen storage system will be given, and examples of these models and simulation results will be described and related to component design. In addition, comparisons of demonstration system experimental results to model predictions will be reported. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Johnson, Terry A.; Kanouff, Michael P.; Dedrick, Daniel E.; Evans, Gregory H.] Sandia Natl Labs, Livermore, CA 94551 USA. [Jorgensen, Scott W.] Gen Motors R&D, Warren, MI 48090 USA. RP Johnson, TA (reprint author), Sandia Natl Labs, MS9409,7011 East Ave, Livermore, CA 94551 USA. EM tajohns@sandia.gov FU General Motors Research and Development; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors wish to acknowledge the program support from General Motors Research and Development, specifically the support and contribution of Jim Spearot, Director of Chemical and Environmental Sciences Laboratory at the General Motors Research and Development Center. Additionally, the authors are indebted to the mechanical design, electrical design and experimental expertise of George Sartor, Yon Perras, Mark Zimmerman, and Steve Karim that enabled the parameter characterization and validation of our transport models. We would also like to acknowledge the computational work of Tyler Voskuilen, Greg Laskowski, Brian Rush, and Aili Ting that supported our analysis. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 26 TC 14 Z9 14 U1 1 U2 16 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 FEB PY 2012 VL 37 IS 3 BP 2835 EP 2849 DI 10.1016/j.ijhydene.2011.05.030 PG 15 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300088 ER PT J AU Garrison, SL Hardy, BJ Gorbounov, MB Tamburello, DA Corgnale, C vanHassel, BA Mosher, DA Anton, DL AF Garrison, Stephen L. Hardy, Bruce J. Gorbounov, Mikhail B. Tamburello, David A. Corgnale, Claudio vanHassel, Bart A. Mosher, Daniel A. Anton, Donald L. TI Optimization of internal heat exchangers for hydrogen storage tanks utilizing metal hydrides SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Metal hydride; Sodium alanate; Optimization; Heat exchanger; Longitudinal fin; Transverse fin ID HIERARCHICAL METHODOLOGY; SIMPLEX-METHOD; SIMULATION; MODELS; BEDS AB Two detailed, unit cell models, a transverse fin design and a longitudinal fin design, of a combined hydride bed and heat exchanger are developed in COMSOL (R) Multiphysics incorporating and accounting for heat transfer and reaction kinetic limitations. MatLab (R) scripts for autonomous model generation are developed and incorporated into (1) a grid-based and (2) a systematic optimization routine based on the Nelder-Mead downhill simplex method to determine the geometrical parameters that lead to the optimal structure for each fin design that maximizes the hydrogen stored within the hydride. The optimal designs for both the transverse and longitudinal fin designs point toward closely-spaced, small cooling fluid tubes. Under the hydrogen feed conditions studied (50 bar), a 25 times improvement or better in the hydrogen storage kinetics will be required to simultaneously meet the Department of Energy technical targets for gravimetric capacity and fill time. These models and methodology can be rapidly applied to other hydrogen storage materials, such as other metal hydrides or to cryoadsorbents, in future work. Copyright (C) 2011, United Technologies Corporation. Published by Elsevier Ltd on behalf of Hydrogen Energy Publications, LLC. All rights reserved. C1 [Garrison, Stephen L.; Hardy, Bruce J.; Tamburello, David A.; Corgnale, Claudio; Anton, Donald L.] Savannah River Natl Lab, Aiken, SC 29808 USA. [Gorbounov, Mikhail B.; vanHassel, Bart A.; Mosher, Daniel A.] United Technol Res Ctr, E Hartford, CT 06108 USA. RP Garrison, SL (reprint author), Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. EM Stephen.Garrison@SRNL.doe.gov FU U.S. Department of Energy [DE-AC09-08SR22470]; U.S. Government FX The information contained in this article was developed during the course of work under Contract DE-AC09-08SR22470 with the U.S. Department of Energy. This work was prepared under an agreement with and funded by the U.S. Government. Neither the U.S. Government or its employees, nor any of its contractors, subcontractors or their employees, makes any express or implied: 1. warranty or assumes any legal liability for the accuracy, completeness, or for the use or results of such use of any information, product, or process disclosed; or 2. representation that such use or results of such use would not infringe privately owned rights; or 3. endorsement or recommendation of any specifically identified commercial product, process, or service. Any views and opinions of authors expressed in this work do not necessarily state or reflect those of the United States Government, or its contractors, or subcontractors. NR 18 TC 28 Z9 29 U1 2 U2 18 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 FEB PY 2012 VL 37 IS 3 BP 2850 EP 2861 DI 10.1016/j.ijhydene.2011.07.044 PG 12 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300089 ER PT J AU James, CW Cortes-Concepcion, JA Tamburello, DA Anton, DL AF James, Charles W. Cortes-Concepcion, Jose A. Tamburello, David A. Anton, Donald L. TI Environmental reactivity of solid-state hydrogen storage systems: Fundamental testing and evaluation SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Environmental reactivity; Metal hydride; Chemical hydride; Hydrogen storage; Calorimetry AB In order to enable the commercial acceptance of solid-state hydrogen storage materials and systems it is important to understand the risks associated with the environmental exposure of various materials. In some instances, these materials are sensitive to the environment surrounding the material and the behavior is unique and independent to each material. The development of testing procedures to evaluate a material's behavior with different environmental exposures is a critical need. In some cases material modifications may be needed in order to reduce the risk of environmental exposure. We have redesigned two standardized UN tests for clarity and exactness; the burn rate and self-heating tests. The results of these and other UN tests are shown for ammonia borane, NH3BH3, and alane, AlH3. The burn rate test showed a strong dependence on the preparation method of aluminum hydride as the particle size and trace amounts of solvent greatly influence the test results. The self-heating test for ammonia borane showed a failed test as low as 70 degrees C in a modified cylindrical form. Finally, gas phase calorimetry was performed and resulted in an exothermic behavior within an air and 30%RH environment. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [James, Charles W.; Cortes-Concepcion, Jose A.; Tamburello, David A.; Anton, Donald L.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Anton, DL (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM donald.anton@srnl.doe.gov FU U.S. Department of Energy (DOE) FX The authors would like to thank Drs. R Zidan, J. Teprovich, and Mr. J. Wheeler for their alane expertise and laboratory support. This work was funded under the U.S. Department of Energy (DOE) hydrogen storage testing, safety, and analysis program managed by Dr. Ned Stetson. NR 13 TC 5 Z9 5 U1 0 U2 11 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 FEB PY 2012 VL 37 IS 3 BP 2885 EP 2890 DI 10.1016/j.ijhydene.2011.05.170 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300092 ER PT J AU Ahluwalia, RK Hua, TQ Peng, JK AF Ahluwalia, R. K. Hua, T. Q. Peng, J. K. TI On-board and Off-board performance of hydrogen storage options for light-duty vehicles SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen storage; Compressed hydrogen; Liquid hydrogen; Metal hydride storage; Sorption; Hydrogen carriers ID FUEL-CELL VEHICLES; AUTOMOTIVE APPLICATIONS; PRESSURE-VESSELS; ECONOMY; SYSTEMS AB Leading physical and materials-based hydrogen storage options are evaluated for their potential to meet the vehicular targets for gravimetric and volumetric capacity, cost, efficiency, durability and operability, fuel purity, and environmental health and safety. Our analyses show that hydrogen stored as a compressed gas at 350-700 bar in Type III or Type IV tanks cannot meet the near-term volumetric target of 28 g/L. The problems of dormancy and hydrogen loss with conventional liquid H-2 storage can be mitigated by deploying pressure-bearing insulated tanks. Alane (AlH3) is an attractive hydrogen carrier if it can be prepared and used as a slurry with >50% solids loading and an appropriate volume-exchange tank is developed. Regenerating AlH3 is a major problem, however, since it is metastable and it cannot be directly formed by reacting the spent Al with H-2. We have evaluated two sorption-based hydrogen storage systems, one using AX-21, a high surface-area superactivated carbon, and the other using MOF-177, a metal-organic framework material. Releasing hydrogen by hydrolysis of sodium borohydride presents difficult chemical, thermal and water management issues, and regenerating NaBH4 by converting B-O bonds is energy intensive. We have evaluated the option of using organic liquid carriers, such as n-ethylcarbazole, which can be dehydrogenated thermolytically on-board a vehicle and rehydrogenated efficiently in a central plant by established methods and processes. While ammonia borane has a high hydrogen content, a solvent that keeps it in a liquid state needs to be found, and developing an AB regeneration scheme that is practical, economical and efficient remains a major challenge. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Ahluwalia, R. K.; Hua, T. Q.; Peng, J. K.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Ahluwalia, RK (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM walia@anl.gov FU U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy; UChicago Argonne, LLC [DE-AC02-06CH11357] FX This work was supported by the Fuel Cell Technologies Program of the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy. Argonne National Laboratory, a U.S. Department of Energy Office of Science laboratory, is operated by UChicago Argonne, LLC, under Contract No. DE-AC02-06CH11357. NR 42 TC 67 Z9 69 U1 10 U2 99 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 FEB PY 2012 VL 37 IS 3 BP 2891 EP 2910 DI 10.1016/j.ijhydene.2011.05.040 PG 20 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300093 ER PT J AU Jablonski, PD Hawk, JA Cowen, CJ Maziasz, PJ AF Jablonski, Paul D. Hawk, Jeffery A. Cowen, Christopher J. Maziasz, Philip J. TI Processing of Advanced Cast Alloys for A-USC Steam Turbine Applications SO JOM LA English DT Article AB The high-temperature components within conventional supercritical coal-fired power plants are manufactured from ferritic/martensitic steels. To reduce greenhouse-gas emissions, the efficiency of pulverized coal steam power plants must be increased to as high a temperature and pressure as feasible. The proposed steam temperature in the DOE/NETL Advanced Ultra Supercritical power plant is high enough (760A degrees C) that ferritic/martensitic steels will not work for the majority of high-temperature components in the turbine or for pipes and tubes in the boiler due to temperature limitations of this class of materials. Thus, Ni-based superalloys are being considered for many of these components. Off-the-shelf forged nickel alloys have shown good promise at these temperatures, but further improvements can be made through experimentation within the nominal chemistry range as well as through thermomechanical processing and subsequent heat treatment. However, cast nickel-based superalloys, which possess high strength, creep resistance, and weldability, are typically not available, particularly those with good ductility and toughness that are weldable in thick sections. To address those issues related to thick casting for turbine casings, for example, cast analogs of selected wrought nickel-based superalloys such as alloy 263, Haynes 282, and Nimonic 105 have been produced. Alloy design criteria, melt processing experiences, and heat treatment are discussed with respect to the as-processed and heat-treated microstructures and selected mechanical properties. The discussion concludes with the prospects for full-scale development of a thick section casting for a steam turbine valve chest or rotor casing. C1 [Jablonski, Paul D.; Hawk, Jeffery A.; Cowen, Christopher J.] Natl Energy Technol Lab, Albany, OR 97321 USA. [Maziasz, Philip J.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Jablonski, PD (reprint author), Natl Energy Technol Lab, Albany, OR 97321 USA. EM paul.jablonski@netl.doe.gov OI Maziasz, Philip/0000-0001-8207-334X NR 10 TC 17 Z9 19 U1 7 U2 46 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 J9 JOM-US JI JOM PD FEB PY 2012 VL 64 IS 2 BP 271 EP 279 DI 10.1007/s11837-012-0241-4 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 902LQ UT WOS:000301040000014 ER PT J AU Weber, CF Kuske, CR AF Weber, Carolyn F. Kuske, Cheryl R. TI Comparative assessment of fungal cellobiohydrolase I richness and composition in cDNA generated using oligo(dT) primers or random hexamers SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article DE cDNA synthesis; Random hexamers; Oligo(dT); Cellobiohydrolase I gene; Soil fungi ID MESSENGER-RNA; RIBOSOMAL-RNA; GENE-EXPRESSION; ATMOSPHERIC CO2; FOREST SOILS; POLYADENYLATION; PCR; BIAS; TRANSCRIPTION; BACTERIA AB Understanding soil fungal distribution and activities, particularly at the level of gene expression, is important in unveiling mechanisms regulating their activities in situ. Recent identification of fungal genes involved in carbon cycling has provided the foundation for developing reverse-transcriptase PCR assays to monitor spatiotemporal gene expression patterns in soils and other complex microbial systems. The polyadenylated 3' ends of eukaryotic mRNA transcripts enables the use of oligo(dT) primers for cDNA synthesis, but this can result in the overrepresentation of the 3' end of transcripts in cDNA pools. In an effort to increase the uniformity of transcripts represented in cDNA pools, random hexamers have been used. The use of both priming methods is abundant in the literature, but we do not know how these methods perform relative to each other. We performed comparative richness and compositional analyses of the fungal glycosyl hydrolase family 7 cellobiohydrolase I gene cbhl amplified from soil cDNAs that had been generated using either oligo(dT) primers or random hexamers. Our results demonstrate that similar chill richness and composition were recovered using both approaches. Richness estimates and compositional profiles of cbhl sequence libraries generated from random hexamer-primed cDNA were more variable than from libraries generated from oligo(dT) primed cDNA. However, our overall results indicate that, on average, comparable richness and composition were recovered from soil cDNAs when either priming method was used. Published by Elsevier B.V. C1 [Weber, Carolyn F.; Kuske, Cheryl R.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Kuske, CR (reprint author), Los Alamos Natl Lab, Biosci Div, Mail Stop 888, Los Alamos, NM 87545 USA. EM kuske@lanl.gov FU U.S. Department of Energy (DOE) Office of Biological and Environmental Research [2009LANLF260]; Los Alamos National Laboratory FX We thank Rob Jackson and Rytas Vilgalys for access to the Duke Forest FACE site. This research was funded by the U.S. Department of Energy (DOE) Office of Biological and Environmental Research with a Science Focus Area grant (2009LANLF260) to CRK and by a Los Alamos National Laboratory Director's Postdoctoral Fellowship to CFW. Sanger sequencing was conducted by the U.S. DOE Joint Genome Institute at Los Alamos National Laboratory. NR 34 TC 0 Z9 0 U1 4 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 J9 J MICROBIOL METH JI J. Microbiol. Methods PD FEB PY 2012 VL 88 IS 2 BP 224 EP 228 DI 10.1016/j.mimet.2011.11.016 PG 5 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 904AG UT WOS:000301165400006 PM 22178429 ER PT J AU Hatt, JK Loffler, FE AF Hatt, Janet K. Loeffler, Frank E. TI Quantitative real-time PCR (qPCR) detection chemistries affect enumeration of the Dehalococcoides 16S rRNA gene in groundwater SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article DE Quantitative real-time PCR (qPCR); SYBR Green; TaqMan; Dehalococcoides; Chlorinated solvents; Bioremediation ID POLYMERASE-CHAIN-REACTION; SYBR-GREEN-I; REDUCTIVE DEHALOGENASE GENES; VINYL-CHLORIDE; CONTAMINATED GROUNDWATER; DNA AMPLIFICATION; ETHENE; DETOXIFICATION; QUANTIFICATION; DECHLORINATION AB Quantitative real-time PCR (qPCR) commonly uses the fluorogenic 5' nuclease (TaqMan) and SYBR Green 1 (SG) detection chemistries to enumerate biomarker genes. Dehalococcoides (Dhc) are keystone bacteria for the detoxification of chlorinated ethenes, and the Dhc 16S ribosomal RNA (rRNA) gene serves as a biomarker for monitoring reductive dechlorination in contaminated aquifers. qPCR enumeration of Dhc biomarker genes using the TaqMan or SG approach with the same primer set yielded linear calibration curves over a seven orders of magnitude range with similar amplification efficiencies. The TaqMan assay discriminates specific from nonspecific amplification observed at low template concentrations with the SG assay, and had a 10-fold lower limit of detection of similar to 3 copies per assay. When applied to Dhc pure cultures and Dhc-containing consortia, both detection methods enumerated Dhc biomarker genes with differences not exceeding 3-fold. Greater variability was observed with groundwater samples, and the SG chemistry produced false-positive results or yielded up to 6-fold higher biomarker gene abundances compared to the TaqMan method. In most cases, the apparent error associated with SG detection resulted from quantification of nonspecific amplification products and was more pronounced with groundwater samples that had low biomarker concentrations or contained PCR inhibitors. Correction of the apparent error using post-amplification melting curve analysis produced 2 to 21-fold lower abundance estimates; however, gel electrophoretic analysis of amplicons demonstrated that melting curve analysis was insufficient to recognize all nonspecific amplification. Upon exclusion of nonspecific amplification products identified by combined melting curve and electrophoretic amplicon analyses, the SG method produced false-negative results compared to the TaqMan method. To achieve sensitive and accurate quantification of Dhc biomarker genes in environmental samples (e.g., groundwater) and avoid erroneous conclusions, the analysis should rely on TaqMan detection chemistry, unless additional analyses validate the results obtained with the SG approach. (C) 2012 Elsevier B.V. All rights reserved. C1 [Loeffler, Frank E.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [Hatt, Janet K.] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. [Loeffler, Frank E.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. [Loeffler, Frank E.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Loffler, FE (reprint author), Univ Tennessee, Dept Microbiol, M409 Walters Life Sci Bldg, Knoxville, TN 37996 USA. EM frank.loeffler@utk.edu RI Loeffler, Frank/M-8216-2013 FU Strategic Environmental Research and Development Program (SERDP) [ER-1586, ER-1561] FX This research was supported by the Strategic Environmental Research and Development Program (SERDP) (project ER-1586 and project ER-1561). We thank Elizabeth Edwards of the University of Toronto for providing consortium KB-1 samples, and Erik Petrovskis of Geosyntec Consultants, Rob Steffan of Shaw Environmental, and Keith Henn of TetraTech Inc. for providing site samples, and acknowledge Kirsti Ritalahti for helpful discussions. NR 40 TC 13 Z9 13 U1 2 U2 39 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 J9 J MICROBIOL METH JI J. Microbiol. Methods PD FEB PY 2012 VL 88 IS 2 BP 263 EP 270 DI 10.1016/j.mimet.2011.12.005 PG 8 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 904AG UT WOS:000301165400011 PM 22200549 ER PT J AU Goel, A McCloy, JS Fox, KM Leslie, CJ Riley, BJ Rodriguez, CP Schweiger, MJ AF Goel, Ashutosh McCloy, John S. Fox, Kevin M. Leslie, Clifford J. Riley, Brian J. Rodriguez, Carmen P. Schweiger, Michael J. TI Structural analysis of some sodium and alumina rich high-level nuclear waste glasses SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article DE Nepheline; Nuclear waste glass; Molecular structure; Infrared spectroscopy; Borosilicate glass ID SPINEL-NEPHELINE LIQUIDUS; BOROSILICATE GLASSES; ALUMINOSILICATE GLASSES; SILICATE-GLASSES; CRYSTALLIZATION; IRON; SPECTROSCOPY; VISCOSITY; AL2O3; MELTS AB Sodium- and aluminum-rich high-level nuclear waste glasses are prone to nepheline (NaAlSiO4) crystallization. Since nepheline removes three moles of glass-forming oxides (Al2O3 and SiO2) per mole of Na2O, the formation of this phase can result in severe deterioration of the chemical durability in a given glass. The present study aims to investigate the relationships between the molecular-level structure and the crystallization behavior of sodium alumino-borosilicate-based simulated high-level nuclear waste glasses with infrared spectroscopy (FTIR) and X-ray diffraction, respectively. The molecular structure of most of the investigated glasses comprise a mixture of Q(2) and Q(3) (Si) units while aluminum and boron are predominantly present in tetrahedral and trigonal coordination, respectively. The increasing boron content has been shown to suppress the nepheline formation in the glasses. The structural influence of various glass components on nepheline crystallization is discussed. (C) 2011 Elsevier B.V. All rights reserved. C1 [Goel, Ashutosh; McCloy, John S.; Riley, Brian J.; Rodriguez, Carmen P.; Schweiger, Michael J.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Fox, Kevin M.] Savannah River Natl Lab, Aiken, SC 29808 USA. [Leslie, Clifford J.] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. RP Goel, A (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM ashutosh.goel@pnnl.gov RI McCloy, John/D-3630-2013; Goel, Ashutosh/J-9972-2012; OI McCloy, John/0000-0001-7476-7771; Riley, Brian/0000-0002-7745-6730 NR 29 TC 9 Z9 10 U1 5 U2 40 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD FEB 1 PY 2012 VL 358 IS 3 BP 674 EP 679 DI 10.1016/j.jnoncrysol.2011.11.015 PG 6 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 904OE UT WOS:000301207000033 ER PT J AU Byun, TS Lewis, WD Toloczko, MB Maloy, SA AF Byun, Thak Sang Lewis, W. Daniel Toloczko, Mychailo B. Maloy, Stuart A. TI Impact properties of irradiated HT9 from the fuel duct of FFTF SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID CONTAINING MARTENSITIC STEELS; FRACTURE-TOUGHNESS; MECHANICAL-PROPERTIES; FERRITIC STEELS; STAINLESS-STEEL; CORE MATERIALS; SPECIMEN SIZE; TEMPERATURE; REACTORS; BEHAVIOR AB This paper reports Charpy impact test data for the ACO-3 duct material (HT9) from the Fast Flux Test Facility (FFTF) and its archive material. Irradiation doses for the specimens were in the range of 3148 dpa and irradiation temperatures in the range of 378-504 degrees C. The impact tests were performed for the small V-notched Charpy specimens with dimensions of 3 x 4 x 27 mm at an impact speed of 3.2 m/s in a 25J capacity machine. Irradiation lowered the upper-shelf energy (USE) and increased the transition temperatures significantly. The shift of ductile-brittle transition temperatures (Delta DBTT) was greater after relatively low temperature irradiation. The USE values were in the range of 5.5-6.7 J before irradiation and decreased to the range of 2-5 J after irradiation. Lower USEs were measured for lower irradiation temperatures and specimens with T-L orientation. The dose dependences of transition temperature and USE were not significant because of the radiation effect on impact behavior nearly saturated at the lowest dose of about 3 dpa. A comparison showed that the lateral expansion of specimens showed a linear correlation with absorbed impact energy, but with large scatter in the results. Size effect was also discussed to clarify the differences in the impact property data from subsize and standard specimens as well as to provide a basis for comparison of data from different specimens. The USE and Delta DBTT data from different studies were compared. Published by Elsevier B.V. C1 [Byun, Thak Sang; Lewis, W. Daniel] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Toloczko, Mychailo B.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Maloy, Stuart A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Byun, TS (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM byunts@ornl.gov RI Maloy, Stuart/A-8672-2009 OI Maloy, Stuart/0000-0001-8037-1319 FU US Department of Energy, Office of Nuclear Energy [DE-AC05-00OR22725]; UT-Battelle, LLC FX This research was sponsored by US Department of Energy, Office of Nuclear Energy under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. The authors would like to express special thanks to Drs. R.L. Klueh and J.H. Baek for their technical reviews and thoughtful comments. NR 37 TC 10 Z9 10 U1 4 U2 10 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 FEB PY 2012 VL 421 IS 1-3 BP 104 EP 111 DI 10.1016/j.jnucmat.2011.11.059 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 900XG UT WOS:000300924600016 ER PT J AU Hosemann, P Hofer, C Hlawacek, G Li, N Maloy, SA Teichert, C AF Hosemann, Peter Hofer, Christian Hlawacek, Gregor Li, Ning Maloy, Stuart A. Teichert, Christian TI Structural, electrical and magnetic measurements on oxide layers grown on 316L exposed to liquid lead-bismuth eutectic SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID OXIDATION MECHANISM; FE-9CR-1MO STEEL; STAINLESS-STEEL; FLOWING LEAD; ELEVATED-TEMPERATURES; MOLTEN LEAD; DEGREES-C; CORROSION; ALLOY; BEHAVIOR AB Fast reactors and spallation neutron sources may use lead-bismuth eutectic (LBE) as a coolant. Its physical, chemical, and irradiation properties make it a safe coolant compared to Na cooled designs. However, LBE is a corrosive medium for most steels and container materials. The present study was performed to evaluate the corrosion behavior of the austenitic steel 316L (in two different delivery states). Detailed atomic force microscopy, magnetic force microscopy, conductive atomic force microscopy, and scanning transmission electron microscopy analyses have been performed on the oxide layers to get a better understanding of the corrosion and oxidation mechanisms of austenitic and ferritic/martensitic stainless steel exposed to LBE. The oxide scale formed on the annealed 316L material consisted of multiple layers with different compositions, structures, and properties. The innermost oxide layer maintained the grain structure of what used to be the bulk steel material and shows two phases, while the outermost oxide layer possessed a columnar grain structure. (c) 2011 Elsevier B.V. All rights reserved. C1 [Hosemann, Peter] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Hofer, Christian; Teichert, Christian] Univ Min & Met Leoben, A-8700 Leoben, Austria. [Li, Ning; Maloy, Stuart A.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Hlawacek, Gregor] Univ Twente, MESA Inst Nanotechnol, NL-7500 AE Enschede, Netherlands. RP Hosemann, P (reprint author), Univ Calif Berkeley, 4169 Etcheverry Hall, Berkeley, CA 94720 USA. EM peterh@berkeley.edu RI Lujan Center, LANL/G-4896-2012; Hlawacek, Gregor/C-7164-2008; Teichert, Christian/F-1003-2013; Maloy, Stuart/A-8672-2009; OI Hlawacek, Gregor/0000-0001-7192-716X; Teichert, Christian/0000-0002-0796-2355; Maloy, Stuart/0000-0001-8037-1319; Hosemann, Peter/0000-0003-2281-2213 NR 31 TC 8 Z9 8 U1 1 U2 16 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 FEB PY 2012 VL 421 IS 1-3 BP 140 EP 146 DI 10.1016/j.jnucmat.2011.11.042 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 900XG UT WOS:000300924600021 ER PT J AU Wilson, MP Madison, HN Healy, SB AF Wilson, Michael P. Madison, Heather N. Healy, Stephen B. TI Confined Space Emergency Response: Assessing Employer and Fire Department Practices SO JOURNAL OF OCCUPATIONAL AND ENVIRONMENTAL HYGIENE LA English DT Article DE arrival time; confined space; emergency response; fire departments; occupational fatalities; OSHA regulation ID ILLNESS; INJURY; US AB An emergency response plan for industrial permit-required confined space entry is essential for employee safety and is legally required. Maintaining a trained confined space rescue team, however; is costly and technically challenging. Some employers turn to public fire departments to meet their emergency response requirements. The confined space emergency response practices of employers and fire departments have not been previously assessed. We present ( I) federal data on the U.S. occurrence between 1992 and 2005 of confined space fatal incidents involving toxic and/or oxygen-deficient atmospheres; (2) survey data from 21 large companies on permit-required confined space emergency response practices; (3) data on fire department arrival times; and (4) estimates by 10 senior fire officers of fire department rescue times for confined space incidents. Between 1992 and 2005, 431 confined space incidents that met the case definition claimed 530 lives, or about 0.63% of the 84,446 all-cause U.S. occupational fatal injuries that occurred during this period. Eighty-seven (20%) incidents resulted in multiple fatalities. Twelve (57%) of 21 surveyed companies reported that they relied on the fire department for permit-required confined space emergency response. Median fire department arrival times were about 5 min for engines and 7 min for technical rescue units. Fire department confined space rescue time estimates ranged from 48 to 123 min and increased to 70 and 173 min when hazardous materials were present. The study illustrates that (1) confined space incidents represent a small but continuing source of fatal occupational injuries in the United States; (2) a sizeable portion of employers may be relying on public fire departments for permit-required confined space emergency response; and (3) in the event of a life-threatening emergency, fire departments usually are not able to effect a confined space rescue in a timely manner: We propose that the appropriate role for the fire department is to support a properly trained and equipped on-site rescue team and to provide advanced life support intervention following extrication and during ambulance transportation. C1 [Wilson, Michael P.] Univ Calif Berkeley, Sch Publ Hlth, Labor Occupat Hlth Program, Ctr Occupat & Environm Hlth, Berkeley, CA 94720 USA. [Madison, Heather N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Healy, Stephen B.] Moraga Orinda Fire Protect Dist, Orinda, CA USA. RP Wilson, MP (reprint author), Univ Calif Berkeley, Sch Publ Hlth, Labor Occupat Hlth Program, Ctr Occupat & Environm Hlth, 3334 Fulton St,4th Floor, Berkeley, CA 94720 USA. EM mpwilson@berkeley.edu FU Center for Occupational and Environmental Health, School of Public Health, University of California, Berkeley FX The authors thank the Center for Occupational and Environmental Health, School of Public Health, University of California, Berkeley, for supporting the preparation of this article, and Megan Schwarzman of UC Berkeley for editorial review. NR 21 TC 6 Z9 7 U1 1 U2 11 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1545-9624 J9 J OCCUP ENVIRON HYG JI J. Occup. Environ. Hyg. PD FEB PY 2012 VL 9 IS 2 BP 120 EP 128 DI 10.1080/15459624.2011.646644 PG 9 WC Environmental Sciences; Public, Environmental & Occupational Health SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health GA 901JH UT WOS:000300962700010 PM 22300305 ER PT J AU Aryal, UK Stockel, J Welsh, EA Gritsenko, MA Nicora, CD Koppenaal, DW Smith, RD Pakrasi, HB Jacobs, JM AF Aryal, Uma K. Stoeckel, Jana Welsh, Eric A. Gritsenko, Marina A. Nicora, Carrie D. Koppenaal, David W. Smith, Richard D. Pakrasi, Himadri B. Jacobs, Jon M. TI Dynamic Proteome Analysis of Cyanothece sp ATCC 51142 under Constant Light SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE cyanobateria; Cyanothece ATCC51142; dynamic proteome; metabolic labeling; mass spectrometry; N-2-fixation; photosynthesis ID TIME TAG APPROACH; SP STRAIN ATCC-51142; MASS-SPECTROMETRY; ACCURATE MASS; NITROGEN ASSIMILATION; GLUTAMINE-SYNTHETASE; PHOTOSYSTEM-II; CYANOBACTERIUM; TURNOVER; CELLS AB Understanding the dynamic nature of protein abundances provides insights into protein turnover not readily apparent from conventional, static mass spectrometry measurements. This level of data is particularly informative when surveying protein abundances in biological systems subjected to large perturbations or alterations in environment such as cyanobacteria. Our current analysis expands upon conventional proteomic approaches in cyanobacteria by measuring dynamic changes of the proteome using a (CN)-C-13-N-15-L-leucine metabolic labeling in Cyanothece ATCC51142. Metabolically labeled Cyanothece ATCC51142 cells grown under nitrogen-sufficient conditions in continuous light were monitored longitudinally for isotope incorporation over a 48 h period, revealing 414 proteins with dynamic changes in abundances. In particular, proteins involved in carbon fixation, pentose phosphate pathway, cellular protection, redox regulation, protein folding, assembly, and degradation showed higher levels of isotope incorporation, suggesting that these biochemical pathways are important for growth under continuous light. Calculation of relative isotope abundances (RIA) values allowed the measurement of actual active protein synthesis over time for different biochemical pathways under high light exposure. Overall results demonstrated the utility of "non-steady state" pulsed metabolic labeling for systems-wide dynamic quantification of the proteome in Cyanothece ATCC51142 that can also be applied to other cyanobacteria. C1 [Aryal, Uma K.; Gritsenko, Marina A.; Nicora, Carrie D.; Koppenaal, David W.; Smith, Richard D.; Jacobs, Jon M.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Stoeckel, Jana; Welsh, Eric A.; Pakrasi, Himadri B.] Washington Univ, Dept Biol, St Louis, MO 63130 USA. RP Jacobs, JM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jon.jacobs@pnnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU U.S. Department of Energy's Office of Biological and Environmental Research [DE-ACO5-76RLO 1830] FX We thank all of the members of the Smith and Pakrasi Laboratories for their collegial discussions. This work is part of a Membrane Biology Scientific Grand Challenge (MBGC) project at the W.R. Wiley Environmental Molecular Science Laboratory, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research Program and located at Pacific Northwest National Laboratory (PNNL), Richland, WA. Battelle operates PNNL for the DOE under Contract DE-ACO5-76RLO 1830. NR 54 TC 11 Z9 12 U1 1 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2012 VL 11 IS 2 BP 609 EP 619 DI 10.1021/pr200959x PG 11 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 894WN UT WOS:000300458300009 PM 22060561 ER PT J AU Shen, YF Tolic, N Purvine, SO Smith, RD AF Shen, Yufeng Tolic, Nikola Purvine, Samuel O. Smith, Richard D. TI Improving Collision Induced Dissociation (CID), High Energy Collision Dissociation (HCD), and Electron Transfer Dissociation (ETD) Fourier Transform MS/MS Degradome-Peptidome Identifications Using High Accuracy Mass Information SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE FT MS/MS; CID; HCD; ETD; peptides; nontryptic peptides; peptidome; degradome; merging of spectra; scoring of spectra ID PROTEIN IDENTIFICATION; DATABASE SEARCH; SPECTROMETRY; SPECTRA; TAGS; TOOL AB MS dissociation methods, including collision induced dissociation (CID), high energy collision dissociation (HCD), and electron transfer dissociation (ETD), can each contribute distinct peptidome identifications using conventional peptide identification methods (Shen et al. J. Proteome Res. 2011), but such samples still pose significant informatics challenges. In this work, we explored utilization of high accuracy fragment ion mass measurements, in this case provided by Fourier transform MS/MS, to improve peptidome peptide data set size and consistency relative to conventional descriptive and probabilistic scoring methods. For example, we identified 20-40% more peptides than SEQUEST, Mascot, and MS_GF scoring methods using high accuracy fragment ion information and the same false discovery rate (FDR) from CID, HCD, and ETD spectra. Identified species covered >90% of the collective identifications obtained using various conventional peptide identification methods, which significantly addresses the common issue of different data analysis methods generating different peptide data sets. Choice of peptide dissociation and high-precision measurement-based identification methods presently available for degradomic-peptidomic analyses needs to be based on the coverage and confidence (or specificity) afforded by the method, as well as practical issues (e.g., throughput). By using accurate fragment information, >1000 peptidome components can be identified from a single human blood plasma analysis with low peptide-level FDRs (e.g., 0.6%), providing an improved basis for investigating potential disease-related peptidome components. C1 [Shen, Yufeng; Smith, Richard D.] Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99354 USA. [Tolic, Nikola; Purvine, Samuel O.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. RP Shen, YF (reprint author), Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99354 USA. EM Yufeng.shen@pnnl.gov; rds@pnnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU NIH National Center for Research Resources [RR18522]; DOE [DE-AC05-76RLO-1830] FX This research was partially supported by the NIH National Center for Research Resources (RR18522). Work was performed in the Environmental Molecular Science Laboratory, a U.S. Department of Energy (DOE) Office of Biological and Environmental Research (DOE/BER) national scientific user facility located on the campus of Pacific Northwest National Laboratory (PNNL) in Richland, Washington. PNNL is a multiprogram national laboratory operated by Battelle for the DOE under contract DE-AC05-76RLO-1830. NR 24 TC 10 Z9 11 U1 2 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2012 VL 11 IS 2 BP 668 EP 677 DI 10.1021/pr200597j PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 894WN UT WOS:000300458300014 PM 22054047 ER PT J AU Savidor, A Teper, D Gartemann, KH Eichenlaub, R Chalupowicz, L Manulis-Sasson, S Barash, I Tews, H Mayer, K Giannone, RJ Hettich, RL Sessa, G AF Savidor, Alon Teper, Doron Gartemann, Karl-Heinz Eichenlaub, Rudolf Chalupowicz, Laura Manulis-Sasson, Shulamit Barash, Isaac Tews, Helena Mayer, Kerstin Giannone, Richard J. Hettich, Robert L. Sessa, Guido TI The Clavibacter michiganensis subsp michiganensis-Tomato Interactome Reveals the Perception of Pathogen by the Host and Suggests Mechanisms of Infection SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE Solanum lycopersicum (tomato); Clavibacter michiganensis subsp michiganensis (Cmm); proteomics; multidimensional protein identification technology (MudPIT); mass spectrometry; secretion; annotation; comparative analysis; interactome; NSAF ID DIFFERENTIALLY EXPRESSED PROTEINS; PROTEOMIC ANALYSIS; COLLETOTRICHUM-GLOEOSPORIOIDES; PHYTOPATHOGENIC BACTERIUM; SACCHAROMYCES-CEREVISIAE; PHYTOPHTHORA-INFESTANS; ARABIDOPSIS-THALIANA; SHOTGUN PROTEOMICS; GENOME ANNOTATION; VIRULENCE FACTORS AB The Gram-positive bacterium Clavibacter michiganensis subsp. michiganensis (Cmm) causes wilt and canker disease of tomato (Solanum lycopersicum). Mechanisms of Cmm pathogenicity and tomato response to Cmm infection are not well understood. To explore the interaction between Cmm and tomato, multidimensional protein identification technology (MudPIT) and tandem mass spectrometry were used to analyze in vitro and in planta generated samples. The results show that during infection Cmm senses the plant environment, transmits signals, induces, and then secretes multiple hydrolytic enzymes, including serine proteases of the Pat-1, Ppa, and Sbt familes, the CelA, XysA, and NagA glycosyl hydrolases, and other cell wall-degrading enzymes. Tomato induction of pathogenesis-related (PR) proteins, LOX1, and other defense-related proteins during infection indicates that the plant senses the invading bacterium and mounts a basal defense response, although partial with some suppressed components including class III peroxidases and a secreted serine peptidase. The tomato ethylene-synthesizing enzyme ACC-oxidase was induced during infection with the wild-type Cmm but not during infection with an endophytic Cmm strain, identifying Cmm-triggered host synthesis of ethylene as an important factor in disease symptom development. The proteomic data were also used to improve Cmm genome annotation, and thousands of Cmm gene models were confirmed or expanded. C1 [Savidor, Alon; Teper, Doron; Barash, Isaac; Sessa, Guido] Tel Aviv Univ, Dept Mol Biol & Ecol Plants, IL-69978 Tel Aviv, Israel. [Gartemann, Karl-Heinz; Eichenlaub, Rudolf; Tews, Helena; Mayer, Kerstin] Univ Bielefeld, Fac Biol, Dept Genetechnol Microbiol, D-33501 Bielefeld, Germany. [Chalupowicz, Laura; Manulis-Sasson, Shulamit] ARO, Volcani Ctr, Dept Plant Pathol & Weed Res, IL-50250 Bet Dagan, Israel. [Giannone, Richard J.; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Sessa, G (reprint author), Tel Aviv Univ, Dept Mol Biol & Ecol Plants, IL-69978 Tel Aviv, Israel. EM guidos@post.tau.ac.il RI Gartemann, Karl-Heinz/I-5065-2012; Hettich, Robert/N-1458-2016 OI Gartemann, Karl-Heinz/0000-0002-4886-1294; Hettich, Robert/0000-0001-7708-786X FU European Union [239415, FP7/2007-2013]; Israeli Ministry of Absorption; German Research Foundation; Palestinian Authority; U.S.-Israel Binational Agricultural Research and Development Fund [IS-4047-07]; [EI 535/12-1] FX We thank Dr. Brian K. Erickson for assistance in signal peptide prediction and Brian D. Dill for technical assistance with mass spectrometry. We thank the Sol genomics network and Dr. Lukas A. Mueller in particular for providing tomato sequence and annotation files. The research leading to these results has received funding from the European Union's Seventh Framework Programme (FP7/2007-2013) under grant agreement no. 239415. This study was supported by the Israeli Ministry of Absorption, by the German Research Foundation program for trilateral cooperation among Israel, Palestinian Authority, and Germany (grant no. EI 535/12-1 to RE., S.M., I.B., and G.S.), and by the U.S.-Israel Binational Agricultural Research and Development Fund (grant no. IS-4047-07 to S.M., I.B., and G.S.). NR 75 TC 14 Z9 16 U1 0 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2012 VL 11 IS 2 BP 736 EP 750 DI 10.1021/pr200646a PG 15 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 894WN UT WOS:000300458300020 PM 22098337 ER PT J AU Wheeler, KE Erickson, BK Mueller, R Singer, SW VerBerkrnoes, NC Hwang, M Thelen, MP Hettich, RL AF Wheeler, Korin E. Erickson, Brian K. Mueller, Ryan Singer, Steven W. VerBerkrnoes, Nathan C. Hwang, Mona Thelen, Michael P. Hettich, Robert L. TI Metal Affinity Enrichment Increases the Range and Depth of Proteome Identification for Extracellular Microbial Proteins SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE proteomics; mass spectrometry; microbes; metal affinity; enrichment; extracellular proteome; IMAC ID SPECTROMETRY-BASED PROTEOMICS; MASS-SPECTROMETRY; COMMUNITY PROTEOMICS; CHROMATOGRAPHY; BINDING; BACTERIA; EXPRESSION; TRANSPORT; CORRELATE; BIOFILMS AB Many key proteins, such as those involved in cellular signaling or transcription, are difficult to measure in microbial proteomic experiments due to the interfering presence of more abundant, dominant proteins. In an effort to enhance the identification of previously undetected proteins, as well as provide a methodology for selective enrichment, we evaluated and optimized immobilized metal affinity chromatography (IMAC) coupled with mass spectrometric characterization of extracellular proteins from an extremophilic microbial community. Seven different metals were tested for IMAC enrichment. The combined results added similar to 20% greater proteomic depth to the extracellular proteome. Although this IMAC enrichment could not be conducted at the physiological pH of the environmental system, this approach did yield a reproducible and specific enrichment of groups of proteins with functions potentially vital to the community, thereby providing a more extensive biochemical characterization. Notably, 40 unknown proteins previously annotated as "hypothetical" were enriched and identified for the first time. Examples of identified proteins includes a predicted TonB signal sensing protein homologous to other known TonB proteins and a protein with a COXG domain previously identified in many chemolithoautotrophic microbes as having a function in the oxidation of CO. C1 [Wheeler, Korin E.; Singer, Steven W.; Hwang, Mona; Thelen, Michael P.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA. [Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Dept Chem & Biochem, Oak Ridge, TN 37831 USA. [Erickson, Brian K.] Univ Tennessee, Grad Sch Genome Sci & Technol, Knoxville, TN USA. [Mueller, Ryan] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Wheeler, KE (reprint author), Santa Clara Univ, Dept Chem & Biochem, 500 El Camino Real, Santa Clara, CA 95053 USA. EM kwheeler@scu.edu; hettichrl@ornl.gov RI Thelen, Michael/C-6834-2008; Thelen, Michael/G-2032-2014; Hettich, Robert/N-1458-2016 OI Thelen, Michael/0000-0002-2479-5480; Thelen, Michael/0000-0002-2479-5480; Hettich, Robert/0000-0001-7708-786X FU Genome Science and Technology Graduate School at UT-Knoxville; U.S. Department of Energy FX We acknowledge Dr. Jill Banfield for the collection and use of the microbial community samples. B.K.E. acknowledges graduate stipend support from the Genome Science and Technology Graduate School at UT-Knoxville. Research funding was provided by the Genomics Science Program, U.S. Department of Energy. Oak Ridge National Laboratory is managed by University of Tennessee-Battelle LLC for the Department of Energy. NR 44 TC 1 Z9 1 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2012 VL 11 IS 2 BP 861 EP 870 DI 10.1021/pr200693u PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 894WN UT WOS:000300458300030 PM 22191549 ER PT J AU Kinsinger, CR Apffel, J Baker, M Bian, XP Borchers, CH Bradshaw, R Brusniak, MY Chan, DW Deutsch, EW Domon, B Gorman, J Grimm, R Hancock, W Hermjakob, H Horn, D Hunter, C Kolar, P Kraus, HJ Langen, H Linding, R Moritz, RL Omenn, GS Orlando, R Pandey, A Ping, PP Rahbar, A Rivers, R Seymour, SL Simpson, RJ Slotta, D Smith, RD Stein, SE Tabb, DL Tagle, D Yates, JR Rodriguez, H AF Kinsinger, Christopher R. Apffel, James Baker, Mark Bian, Xiaopeng Borchers, Christoph H. Bradshaw, Ralph Brusniak, Mi-Youn Chan, Daniel W. Deutsch, Eric W. Domon, Bruno Gorman, Jeff Grimm, Rudolf Hancock, William Hermjakob, Henning Horn, David Hunter, Christie Kolar, Patrik Kraus, Hans-Joachim Langen, Hanno Linding, Rune Moritz, Robert L. Omenn, Gilbert S. Orlando, Ron Pandey, Akhilesh Ping, Peipei Rahbar, Amir Rivers, Robert Seymour, Sean L. Simpson, Richard J. Slotta, Douglas Smith, Richard D. Stein, Stephen E. Tabb, David L. Tagle, Danilo Yates, John R., III Rodriguez, Henry TI Recommendations for Mass Spectrometry Data Quality Metrics for Open Access Data (Corollary to the Amsterdam Principles) SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE selected reaction monitoring; bioinformatics; data quality; metrics; open access; Amsterdam Principles; standards ID PROTEIN IDENTIFICATION DATA; SHOTGUN PROTEOMICS; PEPTIDE IDENTIFICATION; CLINICAL PROTEOMICS; MINIMUM INFORMATION; STATISTICAL-MODEL; GUIDELINES; RESOURCE; SPECTRA; REPRODUCIBILITY AB Policies supporting the rapid and open sharing of proteomic data are being implemented by the leading journals in the field. The proteomics community is taking steps to ensure that data are made publicly accessible and are of high quality, a challenging task that requires the development and deployment of methods for measuring and documenting data quality metrics. On September 18, 2010, the U.S. National Cancer Institute (NCI) convened the "International Workshop on Proteomic Data Quality Metrics" in Sydney, Australia, to identify and address issues facing the development and use of such methods for open access proteomics data. The stakeholders at the workshop enumerated the key principles underlying a framework for data quality assessment in mass spectrometry data that will meet the needs of the research community, journals, funding agencies, and data repositories. Attendees discussed and agreed up on two primary needs for the wide use of quality metrics: (1) an evolving list of comprehensive quality metrics and (2) standards accompanied by software analytics. Attendees stressed the importance of increased education and training programs to promote reliable protocols in proteomics. This workshop report explores the historic precedents, key discussions, and necessary next steps to enhance the quality of open access data. By agreement, this article is published simultaneously in the Journal of Proteome Research, Molecular and Cellular Proteomics, Proteomics, and Proteomics Clinical Applications as a public service to the research community. The peer review process was a coordinated effort conducted by a panel of referees selected by the journals. C1 [Kinsinger, Christopher R.] NCI, Off Canc Clin Prote Res, NIH, Bethesda, MD 20892 USA. Agilent Res Labs, Santa Clara, CA 95051 USA. Macquarie Univ, Dept Chem & Biomol Sci, Sydney, NSW 2109, Australia. NCI, Ctr Bioinformat & Informat Technol, NIH, Bethesda, MD 20892 USA. Univ Victoria, Genome BC Prote Ctr, Victoria, BC V8Z 7X8, Canada. Univ Calif San Francisco, Mass Spectrometry Facil, San Francisco, CA 94143 USA. Inst Syst Biol, Seattle, WA 98103 USA. Johns Hopkins Univ, Sch Med, Dept Pathol, Baltimore, MD 21231 USA. Inst Syst Biol, Seattle, WA 98109 USA. CRP Sante, Luxembourg Clin Prote Ctr, L-1445 Strassen, Luxembourg. Queensland Inst Med Res, Prot Discovery Ctr, Herston, Qld 4029, Australia. Agilent Technol, Santa Clara, CA 95051 USA. Northeastern Univ, Dept Chem & Chem Biol, Boston, MA 02115 USA. European Bioinformat Inst, Prote Serv, Cambridge CB10 1SD, England. Thermo Fisher Sci, Prote Software Strateg Mkt, San Jose, CA 95134 USA. AB SCIEX, Foster City, CA 94404 USA. Commiss European Communities, Directorate Gen Res, B-1049 Brussels, Belgium. Wiley VCH, D-69469 Weinheim, Germany. Hoffmann La Roche AG, Exploratory Biomarkers, CH-4070 Basel, Switzerland. Tech Univ Denmark DTU, Cellular Signal Integrat Grp C SIG, Ctr Biol Sequence Anal CBS, Dept Syst Biol, DK-2800 Lyngby, Denmark. Inst Syst Biol, Cellular & Mol Log Unit, Seattle, WA 98103 USA. Univ Michigan, Ctr Computat Med & Bioinformat, Ann Arbor, MI 48109 USA. Univ Georgia, Complex Carbohydrate Res Ctr, Athens, GA 30602 USA. Johns Hopkins Univ, McKusick Nathans Inst Genet Med, Baltimore, MD 21231 USA. Univ Calif Los Angeles, David Geffen Sch Med, Los Angeles, CA 90095 USA. NCI, Small Business Dev Ctr, NIH, Bethesda, MD 20892 USA. La Trobe Univ, La Trobe Inst Mol Sci, Bundoora, Vic 3086, Australia. NIH, Natl Ctr Biotechnol Informat, Bethesda, MD 20892 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. NIST, Chem Reference Data Grp, Gaithersburg, MD 20899 USA. Vanderbilt Ingram Canc Ctr, Nashville, TN 37232 USA. Natl Inst Neurol Disorders & Stroke, NIH, Bethesda, MD 20892 USA. Scripps Res Inst, La Jolla, CA 92037 USA. RP Kinsinger, CR (reprint author), NCI, Off Canc Clin Prote Res, NIH, 31 Ctr Dr,MSC 2580, Bethesda, MD 20892 USA. EM kinsingc@mail.nih.gov RI Pandey, Akhilesh/B-4127-2009; Smith, Richard/J-3664-2012; OI Pandey, Akhilesh/0000-0001-9943-6127; Smith, Richard/0000-0002-2381-2349; Ping, Peipei/0000-0003-3583-3881; Omenn, Gilbert S./0000-0002-8976-6074; Hermjakob, Henning/0000-0001-8479-0262; Baker, Mark/0000-0001-5858-4035 FU Intramural NIH HHS [Z99 CA999999]; NHGRI NIH HHS [RC2 HG005805]; NIGMS NIH HHS [P50 GM076547] NR 51 TC 5 Z9 5 U1 4 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2012 VL 11 IS 2 BP 1412 EP 1419 DI 10.1021/pr201071t PG 8 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 894WN UT WOS:000300458300077 PM 22053864 ER PT J AU Bhattacharyya, D Demkowicz, MJ Wang, YQ Baumer, RE Nastasi, M Misra, A AF Bhattacharyya, D. Demkowicz, M. J. Wang, Y. -Q. Baumer, R. E. Nastasi, M. Misra, A. TI A Transmission Electron Microscopy Study of the Effect of Interfaces on Bubble Formation in He-Implanted Cu-Nb Multilayers SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE transmission electron microscopy; nanoscale multilayers; He bubbles; interface effects ID HELIUM; IRRADIATION; ALLOYS; STEELS; TEMPERATURE; METALS; DAMAGE AB Magnetron sputtered thin films of Cu, Nb, and Cu-Nb multilayers with 2.5 and 5 nm nominal layer thickness were deposited on Si and implanted with He-4(+) and He-3(+) ions. Secondary ion mass spectroscopy and nuclear reaction analysis, respectively, were used to measure the He-4(+) and He-3(+) concentration profile with depth inside the films. Cross-sectional transmission electron microscopy was used to characterize the helium bubbles. Analysis of the contrast from helium bubbles in defocused transmission electron microscope images showed a minimum bubble diameter of 1.25 nm. While pure Cu and Nb films showed bubble contrast over the entire range of helium implantation, the multilayers exhibited bubbles only above a critical He concentration that increased almost linearly with decreasing layer thickness. The work shows that large amounts of helium can be trapped at incoherent interfaces in the form of stable, nanometer-size bubbles. C1 [Bhattacharyya, D.; Baumer, R. E.; Nastasi, M.; Misra, A.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Demkowicz, M. J.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Wang, Y. -Q.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Bhattacharyya, D (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. EM dhriti@gmail.com RI Misra, Amit/H-1087-2012 FU Center for Materials at Irradiation and Mechanical Extremes (CMIME); Energy Frontier Research Center (EFRC) at Los Alamos National Laboratory under U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [2008LANL1026]; LANL-LDRD FX This work was supported as part of the Center for Materials at Irradiation and Mechanical Extremes (CMIME), an Energy Frontier Research Center (EFRC) at Los Alamos National Laboratory under Award No. 2008LANL1026 from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. The ion implantation work was supported by LANL-LDRD. The authors would like to thank R.G. Hoagland for his valuable insights and many helpful discussions. The authors also gratefully acknowledge technical assistance from J.K. Baldwin, P.O. Dickerson, and I. Usov. NR 24 TC 17 Z9 17 U1 3 U2 50 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD FEB PY 2012 VL 18 IS 1 BP 152 EP 161 DI 10.1017/S1431927611012219 PG 10 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 885CW UT WOS:000299757100015 PM 22258724 ER PT J AU Rostamian, M Potirniche, GP Cogliati, JJ Ougouag, A Tokuhiro, A AF Rostamian, Maziar Potirniche, Gabriel P. Cogliati, Joshua J. Ougouag, Abderrafi Tokuhiro, Akira TI Computational prediction of dust production in pebble bed reactors SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID GRADE ISOTROPIC GRAPHITE; BEHAVIOR; MODULUS; TENSILE AB This paper describes the computational modeling and simulation of graphite pebbles in frictional contacts as anticipated in a pebble bed reactor. For the high temperature gas-cooled reactor, the potential dust generation from frictional contact at the surface of pebbles and the subsequent lift-off and transport of dust and absorbed fission products are of safety concern at elevated temperatures under an air ingress accident. The aim of this work is to perform a computational study to estimate the quantity of the nuclear grade graphite dust produces from a typical anticipated configuration. (C) 2011 Elsevier B.V. All rights reserved. C1 [Rostamian, Maziar; Potirniche, Gabriel P.; Tokuhiro, Akira] Univ Idaho, Dept Mech Engn, Idaho Falls, ID 83401 USA. [Cogliati, Joshua J.; Ougouag, Abderrafi] Idaho Natl Lab, Idaho Falls, ID 83401 USA. RP Rostamian, M (reprint author), Univ Idaho, Dept Mech Engn, 1776 Sci Ctr Dr, Idaho Falls, ID 83401 USA. EM mrostamian@asme.org OI Ougouag, Abderrafi/0000-0003-4436-380X FU DOE [NEUP09-151] FX The lead author wishes to thank his colleague Shams Arifeen for providing guidance in the beginning phase of the study. Also at the University of Idaho the following people were of continuous assistance: G. Johnson, A. Abdelnabi, Sh. Arifeen, B. Riga and K. Rink. We express our gratitude to DOE, under NEUP09-151, "The Experimental Study and Computational Simulations of Key Pebble Bed Thermomechanics Issues for Design and Safety" for providing financial support for this study. NR 22 TC 15 Z9 16 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD FEB PY 2012 VL 243 BP 33 EP 40 DI 10.1016/j.nucengdes.2011.12.011 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 902KF UT WOS:000301036300004 ER PT J AU Lomperski, S Farmer, MT AF Lomperski, S. Farmer, M. T. TI Performance testing of engineered corium cooling systems SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID CORE CATCHER; WATER; COOLABILITY; INJECTION; RETENTION AB The coolability of ex-vessel core debris continues to be an issue of concern in the realm of light water reactor safety. Extensive research into corium/concrete interaction phenomena has been unable to establish the certainty of melt quench and stabilization within the containment boundary for all credible cases of cooling restricted to top flooding. As a result, there has been continuing interest in engineered systems that can augment cooling. This paper describes the testing of two passive cooling concepts that inject water into corium from below via nozzles embedded within the basemat: one with porous concrete nozzles and the other with a type of composite nozzle. The latter supplements water injection with noncondensable gas to stabilize flow and suppress vapor explosions. Each test involved a 136 kg melt composed of 56/23/14 wt% UO2/ZrO2/siliceous concrete at an initial depth of 30 cm. The setup with the porous concrete nozzles successfully injected water into the melt at heads as low as 2.3 m. The composite nozzle test was partially successful, with three nozzles delivering coolant while a fourth was damaged by the melt and failed to inject water. The melts cooled twice as fast as similar ones tested in a top flooding configuration. These experiments confirmed earlier work at Forschungszentrum Karlsruhe and elsewhere indicating that cooling via bottom water injection is a particularly effective method for quenching ex-vessel corium melts. (C) 2011 Elsevier B.V. All rights reserved. C1 [Lomperski, S.; Farmer, M. T.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Lomperski, S (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM lomperski@anl.gov FU Nuclear Energy Agency, Organization for Economic Cooperation and Development (NEA/OECD); U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX The authors are grateful for the financial support of the countries participating in the joint cooperative MCCI Project run under the auspices of the Nuclear Energy Agency, Organization for Economic Cooperation and Development (NEA/OECD).; The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable world-wide 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 16 TC 4 Z9 4 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD FEB PY 2012 VL 243 BP 311 EP 320 DI 10.1016/j.nucengdes.2011.11.010 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 902KF UT WOS:000301036300032 ER PT J AU Girault, N Bosland, L Dickinson, S Funke, F Guntay, S Herranz, LE Powers, D AF Girault, N. Bosland, L. Dickinson, S. Funke, F. Guentay, S. Herranz, L. E. Powers, D. TI LWR severe accident simulation: Iodine behaviour in FPT2 experiment and advances on containment iodine chemistry SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID REACTOR SEVERE ACCIDENT; PROJECT RADIOLYTIC OXIDATION; FISSION-PRODUCT TRANSPORT; PHEBUS-FP; ION ADSORPTION; MOLECULAR-IODINE; BORON ADSORPTION; GOETHITE SURFACE; LESSONS LEARNT; MODEL AB The Phebus Fission Product (FP) Program studies key phenomena of severe accidents in water-cooled nuclear reactors. In the framework of the Phebus program, five in-pile experiments have been performed that cover fuel rod degradation and behaviour of fission products released via the coolant circuit into the containment vessel. The focus of this paper is on iodine behaviour during the Phebus FPT2 test. FPT2 used a 33 GWd/t uranium dioxide fuel enriched to 4.5%, re-irradiated in situ for 7 days to a burn-up of 130 MWd/t. This test was performed to study the impact of steam-poor conditions and boric acid on the fission product chemistry. For the containment vessel, more specifically, the objective was to study iodine chemistry in an alkaline sump under evaporating conditions. The iodine results of the Phebus FPT2 test confirmed many of the essential features of iodine behaviour in the containment vessel provided by the first two Phebus tests, FPTO and FPT1. These are the existence of an early gaseous iodine fraction, the persistence of low gaseous iodine concentrations and the importance of the sump in suppressing the iodine partitioning from sump to atmosphere. The main new insights provided by the Phebus FPT2 test were the iodine desorption from stainless steel walls deposits and the role of the evaporating sump in further iodine depletion in the containment atmosphere. The current paper presents an interpretation of the iodine behaviour in the FPT2 containment vessel based on dedicated small-scale analytical experiments and computer codes calculations. Other investigations dealing with primary circuit and sump chemistry are also reported. These could help to scale the results of Phebus-FP tests to reactor accidents. Modelling studies were generally successful when a gaseous iodine injection from the primary circuit was assumed. Indeed, though each of the iodine codes has specific iodine chemistry features that should be further developed and each approach to the modelling is distinct, the overall iodine behaviour in the FPT2 containment is generally well reproduced by the models that predict: a low final gaseous iodine concentration in the containment atmosphere, a predominant iodine concentration in the sump and to a lesser extent a significant iodine deposition on containment surfaces. The main code-to-code differences, in the results obtained in gaseous iodine speciation, come from the various treatments of gaseous radiolytic reactions. Calculations that include the radiolytic conversion of volatile iodine into iodine oxide particulate show there is a persistence of both gaseous iodine and iodine oxide particles in the atmosphere. There are also some variations between the predicted organic iodine concentrations that depend mainly on the initial assumptions. A key aspect of the Phebus FPT2 test interpretation is that the long term iodine behaviour in the containment can be explained by exchanges between organic iodide released from painted surfaces and inorganic iodine released from deposited aerosol on the containment walls. Further studies of regulatory significance on sump chemistry showed that the gaseous iodine control that was evident in the Phebus tests through silver release and/or alkaline buffered sump solutions may not be assured. As most of the past iodine aqueous chemistry studies were done with rather pure systems and because of the uncompleted understanding of the gaseous iodine speciation, the results may not be extrapolated easily to conditions of reactor accidents thus necessitating deeper investigations. (C) 2011 Elsevier B.V. All rights reserved. C1 [Girault, N.; Bosland, L.] IRSN, F-13115 St Paul Les Durance, France. [Dickinson, S.] Natl Nucl Lab, Harwell OX11 0QT, Oxon, England. [Funke, F.] AREVA NP Gmbh, D-91001 Erlangen, Germany. [Guentay, S.] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. [Herranz, L. E.] Ctr Invest Energet MedioAmbiantales & Tecnol, Madrid 28040, Spain. [Powers, D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Girault, N (reprint author), IRSN, BP3, F-13115 St Paul Les Durance, France. EM nathalie.girault@irsn.fr RI BOSLAND, Loic/J-5858-2016 OI BOSLAND, Loic/0000-0002-5235-2740 FU European Community FX The work performed within the Phebus and SARNET Interpretation Circles, both dedicated to containment chemistry studies, greatly benefited from the funding and technical contribution of the European Community. A great number of organizations and research institutes, including power suppliers, also contributed to this work. People who helped the performance and completion of the Phebus FPT2 test as well as of the complementary analytical programs are especially thanked. NR 98 TC 7 Z9 7 U1 2 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD FEB PY 2012 VL 243 BP 371 EP 392 DI 10.1016/j.nucengdes.2011.11.011 PG 22 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 902KF UT WOS:000301036300038 ER PT J AU Budny, RV Berry, L Bilato, R Bonoli, P Brambilla, M Dumont, RJ Fukuyama, A Harvey, R Jaeger, EF Indireshkumar, K Lerche, E McCune, D Phillips, CK Vdovin, V Wright, J AF Budny, R. V. Berry, L. Bilato, R. Bonoli, P. Brambilla, M. Dumont, R. J. Fukuyama, A. Harvey, R. Jaeger, E. F. Indireshkumar, K. Lerche, E. McCune, D. Phillips, C. K. Vdovin, V. Wright, J. CA ITPA-IOS TI Benchmarking ICRF full-wave solvers for ITER SO NUCLEAR FUSION LA English DT Article ID TOKAMAK PLASMAS; CURRENT DRIVE; STEADY-STATE; PROPAGATION; SIMULATION; EFFICIENCY AB Benchmarking full-wave solvers for ion-cyclotron range of frequency (ICRF) simulations is performed using plasma profiles and equilibria obtained from integrated self-consistent modelling predictions of four ITER plasmas. One is for a high-performance baseline (5.3 T, 15 MA) DT H-mode. The others are for half-field, half-current plasmas of interest for the pre-activation phase with bulk plasma ion species being either hydrogen or He-4. The predicted profiles are used by six full-wave solver groups to simulate the ICRF electromagnetic fields and heating, and by three of these groups to simulate the current drive. Approximate agreement is achieved by four of the solvers for the heating power partitions for the DT and He-4 cases. Factor of two or more disagreements are found for the heating power partitions for the cases with second harmonic He-3 heating in bulk H cases. Approximate agreement is achieved simulating the ICRF current-drive 1D profiles. C1 [Budny, R. V.; Indireshkumar, K.; McCune, D.; Phillips, C. K.] PPPL, Princeton, NJ 08543 USA. [Berry, L.] ORNL, Oak Ridge, TN 37831 USA. [Bilato, R.; Brambilla, M.] EURATOM, Max Planck Inst Plasmaphys, D-85748 Garching, Germany. [Bonoli, P.; Wright, J.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Dumont, R. J.] CEA, IRFM, F-13108 St Paul Les Durance, France. [Fukuyama, A.] Kyoto Univ, Dept Nucl Engn, Kyoto 6068501, Japan. [Harvey, R.] CompX, Del Mar, CA 92014 USA. [Jaeger, E. F.] XCEL Engn Inc, Oak Ridge, TN 37830 USA. [Lerche, E.] TEC Partner, LPP ERM KMS, Assoc Euratom Belgian State, Brussels, Belgium. RP Budny, RV (reprint author), PPPL, POB 451, Princeton, NJ 08543 USA. EM budny@princeton.edu RI Dumont, Remi/D-3840-2009 FU US DoE [DE-ACO2-76-CHO3073] FX The authors wish to thank P. Lamalle, A. Polevoi and J. Snipes for helpful suggestions and comments. This work is supported in part by the US DoE Contract No DE-ACO2-76-CHO3073. NR 38 TC 23 Z9 23 U1 0 U2 6 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD FEB PY 2012 VL 52 IS 2 AR 023023 DI 10.1088/0029-5515/52/2/023023 PG 18 WC Physics, Fluids & Plasmas SC Physics GA 899DH UT WOS:000300794500023 ER PT J AU Park, JK Menard, JE Gerhardt, SP Buttery, RJ Sabbagh, SA Bell, RE LeBlanc, BP AF Park, Jong-Kyu Menard, Jonathan E. Gerhardt, Stefan P. Buttery, Richard J. Sabbagh, Steve A. Bell, Ronald E. LeBlanc, Benoit P. TI Sensitivity to error fields in NSTX high beta plasmas SO NUCLEAR FUSION LA English DT Article ID RESONANT MAGNETIC PERTURBATIONS; SPHERICAL-TORUS-EXPERIMENT; WALL MODE STABILIZATION; DIII-D; TOKAMAK; JET AB It was found that error field threshold decreases for high beta in NSTX, although the density correlation in conventional threshold scaling implies the threshold would increase since higher beta plasmas in our study have higher plasma density. This greater sensitivity to error field in higher beta plasmas is due to error field amplification by plasmas. When the effect of amplification is included with ideal plasma response calculations, the conventional density correlation can be restored and threshold scaling becomes more consistent with low beta plasmas. However, it was also found that the threshold can be significantly changed depending on plasma rotation. When plasma rotation was reduced by non-resonant magnetic braking, the further increase in sensitivity to error field was observed. C1 [Park, Jong-Kyu; Menard, Jonathan E.; Gerhardt, Stefan P.; Bell, Ronald E.; LeBlanc, Benoit P.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Buttery, Richard J.] Gen Atom Co, San Diego, CA 92186 USA. [Sabbagh, Steve A.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. RP Park, JK (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. OI Menard, Jonathan/0000-0003-1292-3286 FU DOE [DE-AC02-76CH03073, DE-FC02-04ER54698, DE-FG02-03ERS496] FX This work was supported by DOE contract DE-AC02-76CH03073 (PPPL), DE-FC02-04ER54698 (GA) and DE-FG02-03ERS496 (CU). NR 26 TC 6 Z9 6 U1 1 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD FEB PY 2012 VL 52 IS 2 AR 023004 DI 10.1088/0029-5515/52/2/023004 PG 7 WC Physics, Fluids & Plasmas SC Physics GA 899DH UT WOS:000300794500004 ER PT J AU Schmitz, L Holland, C Rhodes, TL Wang, G Zeng, L White, AE Hillesheim, JC Peebles, WA Smith, SP Prater, R McKee, GR Yan, Z Solomon, WM Burrell, KH Holcomb, CT Doyle, EJ DeBoo, JC Austin, ME deGrassie, JS Petty, CC AF Schmitz, L. Holland, C. Rhodes, T. L. Wang, G. Zeng, L. White, A. E. Hillesheim, J. C. Peebles, W. A. Smith, S. P. Prater, R. McKee, G. R. Yan, Z. Solomon, W. M. Burrell, K. H. Holcomb, C. T. Doyle, E. J. DeBoo, J. C. Austin, M. E. deGrassie, J. S. Petty, C. C. TI Reduced electron thermal transport in low collisionality H-mode plasmas in DIII-D and the importance of TEM/ETG-scale turbulence SO NUCLEAR FUSION LA English DT Article ID TEMPERATURE-GRADIENT TURBULENCE; DOUBLE-BARRIER REGIME; T-E/T-I; D TOKAMAK; TORE-SUPRA; ION; HEAT; FLUCTUATIONS; CONFINEMENT; SIMULATIONS AB The first systematic investigation of core electron thermal transport and the role of local ion temperature gradient/trapped electron mode/electron temperature gradient (ITG/TEM/ETG)-scale core turbulence is performed in high temperature, low collisionality H-mode plasmas in the DIII-D tokamak. Wavenumber spectra of L-mode and H-mode density turbulence are measured by Doppler backscattering. H-mode wavenumber spectra are directly contrasted for the first time with nonlinear gyrokinetic simulation results. Core ITG/TEM-scale turbulence is substantially reduced/suppressed by E x B shear promptly after the L-H transition, resulting in reduced electron thermal transport across the entire minor radius. For small k(theta)rho(s), both experiment and nonlinear gyrokinetic simulations using the GYRO code show density fluctuation levels increasing with k(theta)rho(s) in H-mode (r/a = 0.6), in contrast to ITG/TEM-dominated L-mode plasmas. GYRO simulations also indicate that a significant portion of the remaining H-mode electron heat flux results directly from residual intermediate/short-scale TEM/ETG turbulence. Electron transport at substantially increased electron-to-ion temperature ratio (T-e/T-i >= 1, r/a <= 0.35) has been investigated in ECH-assisted, quiescent H-mode plasmas. A synergistic increase in core electron and ion thermal diffusivity (normalized to the gyro-Bohm diffusivity) is found with applied ECH. From linear stability analysis, the TEM mode is expected to become the dominant linear instability with ECH due to increased electron-to-ion temperature ratio and a reduction in the ion temperature gradient. This is consistent with increased electron temperature fluctuations and core electron thermal diffusivity observed experimentally. The reduced ion temperature gradient likely results from a reduction in the ITG critical gradient due to increased Te/Ti and reduced E x B shear. These studies are performed at collisonality (nu*(e) similar to 0.05, r/a <= 0.6) and address transport in electron heat-dominated regimes, thought to be important in ITER due to a-particle heating. C1 [Schmitz, L.; Rhodes, T. L.; Wang, G.; Zeng, L.; Hillesheim, J. C.; Peebles, W. A.; Doyle, E. J.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Holland, C.] Univ Calif San Diego, La Jolla, CA 92093 USA. [White, A. E.] MIT, Cambridge, MA 02139 USA. [Smith, S. P.; Prater, R.; Burrell, K. H.; DeBoo, J. C.; deGrassie, J. S.; Petty, C. C.] Gen Atom Co, San Diego, CA 92186 USA. [McKee, G. R.; Yan, Z.] Univ Wisconsin, Madison, WI 53706 USA. [Solomon, W. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Holcomb, C. T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Austin, M. E.] Univ Texas Austin, Austin, TX 78712 USA. RP Schmitz, L (reprint author), Univ Calif Los Angeles, Los Angeles, CA 90095 USA. EM lschmitz@ucla.edu OI Solomon, Wayne/0000-0002-0902-9876 FU US Department of Energy [DE-FG02-08ER54984, DE-FG02-07ER54917, DE-FC02-93ER54186, DE-FC02-04ER54698, DE-FG02-89ER53296, DE-FG02-08ER54999, DE-AC02-09CH1146, DE-AC52-07NA27344, DE-FG03-97ER54415, DE-AC05-00OR22725] FX This work was supported in part by the US Department of Energy under DE-FG02-08ER54984, DE-FG02-07ER54917, DE-FC02-93ER54186, DE-FC02-04ER54698, DE-FG02-89ER53296, DE-FG02-08ER54999, DE-AC02-09CH1146, DE-AC52-07NA27344 and DE-FG03-97ER54415. This research used resources of the Oak Ridge Leadership Computing Facility at Oak Ridge National Laboratory, which is supported by the US Department of Energy under DE-AC05-00OR22725. NR 45 TC 17 Z9 17 U1 0 U2 15 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD FEB PY 2012 VL 52 IS 2 AR 023003 DI 10.1088/0029-5515/52/2/023003 PG 15 WC Physics, Fluids & Plasmas SC Physics GA 899DH UT WOS:000300794500003 ER PT J AU Thomas, PD Wood, V Mungall, CJ Lewis, SE Blake, JA AF Thomas, Paul D. Wood, Valerie Mungall, Christopher J. Lewis, Suzanna E. Blake, Judith A. CA Gene Ontology Consortium TI On the Use of Gene Ontology Annotations to Assess Functional Similarity among Orthologs and Paralogs: A Short Report SO PLOS COMPUTATIONAL BIOLOGY LA English DT Article ID RESOURCE; DATABASE; MOUSE AB A recent paper (Nehrt et al., PLoS Comput. Biol. 7:e1002073, 2011) has proposed a metric for the "functional similarity'' between two genes that uses only the Gene Ontology (GO) annotations directly derived from published experimental results. Applying this metric, the authors concluded that paralogous genes within the mouse genome or the human genome are more functionally similar on average than orthologous genes between these genomes, an unexpected result with broad implications if true. We suggest, based on both theoretical and empirical considerations, that this proposed metric should not be interpreted as a functional similarity, and therefore cannot be used to support any conclusions about the "ortholog conjecture'' (or, more properly, the "ortholog functional conservation hypothesis''). First, we reexamine the case studies presented by Nehrt et al. as examples of orthologs with divergent functions, and come to a very different conclusion: they actually exemplify how GO annotations for orthologous genes provide complementary information about conserved biological functions. We then show that there is a global ascertainment bias in the experiment-based GO annotations for human and mouse genes: particular types of experiments tend to be performed in different model organisms. We conclude that the reported statistical differences in annotations between pairs of orthologous genes do not reflect differences in biological function, but rather complementarity in experimental approaches. Our results underscore two general considerations for researchers proposing novel types of analysis based on the GO: 1) that GO annotations are often incomplete, potentially in a biased manner, and subject to an "open world assumption'' (absence of an annotation does not imply absence of a function), and 2) that conclusions drawn from a novel, large-scale GO analysis should whenever possible be supported by careful, in-depth examination of examples, to help ensure the conclusions have a justifiable biological basis. C1 [Thomas, Paul D.] Univ So Calif, Dept Prevent Med, Div Bioinformat, Los Angeles, CA 90089 USA. [Wood, Valerie] Univ Cambridge, Cambridge Syst Biol Ctr, Cambridge, England. [Wood, Valerie] Univ Cambridge, Dept Biochem, Cambridge CB2 1QW, England. [Mungall, Christopher J.; Lewis, Suzanna E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Blake, Judith A.] Jackson Lab, Bar Harbor, ME 04609 USA. RP Thomas, PD (reprint author), Univ So Calif, Dept Prevent Med, Div Bioinformat, Los Angeles, CA 90089 USA. EM go-discuss@lists.stanford.edu OI Wood, Valerie/0000-0001-6330-7526; Lewis, Suzanna/0000-0002-8343-612X; Blake, Judith/0000-0001-8522-334X FU National Institutes of Health [P41 HG002273, R01 GM081084] FX This work was funded by grants from the National Institutes of Health, P41 HG002273 (to JAB and SEL) and R01 GM081084 (to PDT). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 18 TC 31 Z9 31 U1 0 U2 5 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA SN 1553-734X J9 PLOS COMPUT BIOL JI PLoS Comput. Biol. PD FEB PY 2012 VL 8 IS 2 AR e1002386 DI 10.1371/journal.pcbi.1002386 PG 7 WC Biochemical Research Methods; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA 898HA UT WOS:000300729900028 PM 22359495 ER PT J AU He, F Zheng, W Liang, LY Gu, BH AF He, Feng Zheng, Wang Liang, Liyuan Gu, Baohua TI Mercury photolytic transformation affected by low-molecular-weight natural organics in water SO SCIENCE OF THE TOTAL ENVIRONMENT LA English DT Article DE Mercury; Photoreduction; Aromatic compounds; Ultra-violet (UV); Sunlight; Natural organic matter ID DISSOLVED GASEOUS MERCURY; AQUEOUS-SOLUTION; PHOTOCHEMICAL PRODUCTION; FRESH-WATER; SULFOSALICYLIC ACID; TEMPERATE LAKES; SALICYLIC-ACID; MATTER; REDUCTION; SURFACE AB Mechanisms by which dissolved organic matter (DOM) mediates the photochemical reduction of Hg(II) in aquatic ecosystems are not fully understood, owing to the heterogeneous nature and complex structural properties of DOM. In this work, naturally occurring aromatic compounds including salicylic, 4-hydrobenzoic, anthranilic, 4-aminobenzoic, and phthalic acid were systematically studied as surrogates for DOM in order to gain an improved mechanistic understanding of these compounds in the photoreduction of Hg(II) in water. We show that the photoreduction rates of Hg(II) are influenced not only by the substituent functional groups such as -OH, -NH2 and -COOH on the benzene ring, but also the positioning of these functional groups on the ring structure. The Hg(II) photoreduction rate decreases in the order anthranilic acid> salicylic acid> phthalic acid according to the presence of the -NH2, -OH, -COOH functional groups on benzoic acid. The substitution position of the functional groups affects reduction rates in the order anthranilic acid >4-aminobenzoic acid and salicylic acid >4-hydroxybenzoic acid. Reduction rates correlate strongly with ultraviolet (UV) absorption of these compounds and their concentrations, suggesting that the formation of organic free radicals during photolysis of these compounds is responsible for Hg(II) photoreduction. These results provide insight into the role of low-molecular-weight organic compounds and possibly DOM in Hg photoredox transformation and may thus have important implications for understanding Hg geochemical cycling in the environment. (C) 2011 Elsevier B.V. All rights reserved. C1 [He, Feng; Zheng, Wang; Liang, Liyuan; Gu, Baohua] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP He, F (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM hef2@ornl.gov; gub1@ornl.gov RI He, Feng/B-9444-2012; Gu, Baohua/B-9511-2012; Liang, Liyuan/O-7213-2014 OI He, Feng/0000-0001-5702-4511; Gu, Baohua/0000-0002-7299-2956; Liang, Liyuan/0000-0003-1338-0324 FU Office of the Biological and Environmental Research, Office of Science, U.S. Department of Energy (DOE) as part of the Mercury Science Focus Area (SFA) at Oak Ridge National Laboratory (ORNL); DOE [DE-AC05-00OR22725] FX This research was supported by the Office of the Biological and Environmental Research, Office of Science, U.S. Department of Energy (DOE) as part of the Mercury Science Focus Area (SFA) Program at Oak Ridge National Laboratory (ORNL), which is managed by UT-Battelle LLC for the DOE under contract DE-AC05-00OR22725. NR 43 TC 10 Z9 10 U1 3 U2 73 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0048-9697 J9 SCI TOTAL ENVIRON JI Sci. Total Environ. PD FEB 1 PY 2012 VL 416 BP 429 EP 435 DI 10.1016/j.scitotenv.2011.11.081 PG 7 WC Environmental Sciences SC Environmental Sciences & Ecology GA 903XE UT WOS:000301155200048 PM 22225824 ER PT J AU Haggui, M Dridi, M Plain, J Marguet, S Perez, H Schatz, GC Wiederrecht, GP Gray, SK Bachelot, R AF Haggui, Mohamed Dridi, Montacer Plain, Jerome Marguet, Sylvie Perez, Henri Schatz, George C. Wiederrecht, Gary P. Gray, Stephen K. Bachelot, Renaud TI Spatial Confinement of Electromagnetic Hot and Cold Spots in Gold Nanocubes SO ACS NANO LA English DT Article DE plasmon; gold; nanocubes; photoisomerization; near-field photochemical imaging; near-field depolarization; azobenzene; electromagnetic hot spot; electromagnetic cold spots ID NOBLE-METAL NANOPARTICLES; SELF-ASSEMBLED MONOLAYERS; SINGLE SILVER NANOCUBES; NEAR-FIELD; SURFACE-PLASMONS; MOLECULAR-MOTION; NANOSTRUCTURES; SPECTROSCOPY; PHOTOLUMINESCENCE; LITHOGRAPHY AB We report a near-field imaging study of colloidal gold nanocubes. This is accomplished through a photochemical imaging method in which molecular displacements are vectorial in nature, enabling sensitivity to the polarization of the optical near-field of the nanocubes. We analyze the confinement of both electromagnetic hot and "cold" spots with a resolution of lambda/35 and emphasize the particularly high spatial confinement of cold spots. The concept of a cold spot complements the well-known electromagnetic hot spot but can have significant advantages. The application of the ultraconfined cold spots to high resolution Imaging and spectroscopy is discussed. C1 [Haggui, Mohamed; Plain, Jerome; Bachelot, Renaud] Univ Technol Troyes, LNIO, CNRS, UMR 6279, Troyes, France. [Dridi, Montacer; Schatz, George C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Marguet, Sylvie; Perez, Henri] CNRS CEA, IRAMIS, SPAM, Lab Francis Perrin,URA2453, F-91191 Gif Sur Yvette, France. [Wiederrecht, Gary P.; Gray, Stephen K.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Bachelot, R (reprint author), Univ Technol Troyes, LNIO, CNRS, UMR 6279, Troyes, France. EM renaud.bachelot@utt.fr RI Plain, Jerome/A-2888-2009; MARGUET, Sylvie/K-2750-2012; Bachelot, Renaud/M-6888-2015 OI MARGUET, Sylvie/0000-0002-8670-1320; FU Partner University Funds [PUF2010]; NSF MRSEC [DMR-1121262]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; European community; HYN-NOV; NANO'MAT FX This work was supported by the Partner University Funds program (PUF2010). M.D. and G.C.S. were supported by the NSF MRSEC grant (DMR-1121262). Use of the Center for Nanoscale Materials (S.K.G., G.P.W.) 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 the TEM team platform, DSV, CEA-Saclay. This work was also supported by the European community FEDER fund and the Region Champagne-Ardenne: Grants HYN-NOV and NANO'MAT (www.nanomat.eu). NR 52 TC 38 Z9 38 U1 10 U2 74 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 FEB PY 2012 VL 6 IS 2 BP 1299 EP 1307 DI 10.1021/nn2040389 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 898QW UT WOS:000300757900037 PM 22280022 ER PT J AU Liu, XH Zhong, L Huang, S Mao, SX Zhu, T Huang, JY AF Liu, Xiao Hua Zhong, Li Huang, Shan Mao, Scott X. Zhu, Ting Huang, Jian Yu TI Size-Dependent Fracture of Silicon Nanoparticles During Lithiation SO ACS NANO LA English DT Article DE Si nanoparticle; lithium ion battery; fracture; surface crack; size dependence; in situ TEM ID TRANSMISSION ELECTRON-MICROSCOPY; LITHIUM-ION BATTERIES; LONG CYCLE LIFE; ELECTROCHEMICAL LITHIATION; THIN-FILMS; ANODES; NANOWIRES; DELITHIATION; EVOLUTION; DEFORMATION AB Lithiation of individual silicon nanopartides was studied in real time with in situ transmission electron microscopy. A strong size dependence of fracture was discovered; that Is, there exists a critical particle diameter of similar to 150 nm, below which the particles neither cracked nor fractured upon first lithiation, and above which the particles initially formed surface cracks and then fractured due to lithiation-induced swelling. The unexpected surface cracking arose owing to the buildup of large tensile hoop stress, which reversed the initial compression, in the surface layer. The stress reversal was attributed to the unique mechanism of lithiation in crystalline Si, taking place by movement of a two-phase boundary between the inner core of pristine Si and the outer shell of amorphous Li-Si alloy. While the resulting hoop tension tended to initiate surface cracks, the small-sized nanoparticles nevertheless averted fracture. This is because the stored strain energy from electrochemical reactions was insufficient to drive crack propagation, as dictated by the interplay between the two length scales, that is, particle diameter and crack size, that control the fracture. These results are diametrically opposite to those obtained previously from single-phase modeling, which predicted only compressive hoop stress In the surface layer and thus crack initiation from the center in lithiated Si particles and wires. Our work provides direct evidence of the mechanical robustness of small Si nanoparticles for applications in lithium ion batteries. C1 [Huang, Shan; Zhu, Ting] Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Liu, Xiao Hua; Huang, Jian Yu] Sandia Natl Labs, Ctr Integrated Nanotechnol CINT, Albuquerque, NM 87185 USA. [Zhong, Li; Mao, Scott X.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. RP Zhu, T (reprint author), Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. EM ting.zhu@me.gatech.edu; jhuang@sandia.gov RI Liu, Xiaohua/A-8752-2011; Huang, Jianyu/C-5183-2008; Zhu, Ting/A-2206-2009; Zhong, Li/I-3714-2014 OI Liu, Xiaohua/0000-0002-7300-7145; FU Laboratory Directed Research and Development (LDRD); Sandia National Laboratories (SNL); Science of Precision Multifunctional Nanostructures for Electrical Energy Storage (NEES); Energy Frontier Research Center (EFRC); U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DESC0001160]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; NSF [CMMI-0758554, 1100205] FX Portions of this work were supported by a Laboratory Directed Research and Development (LDRD) project at Sandia National Laboratories (SNL) and partly by the Science of Precision Multifunctional Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DESC0001160. The LDRD supported the development and fabrication of platforms. The NEES center supported the development of TEM techniques. CINT supported the TEM capability; in addition, this work represents the efforts of several CINT users, primarily those with affiliation external to Sandia National Laboratories. This work was performed, in part, at the Sandia-Los Alamos Center for Integrated Nanotechnologies (CINT), a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. T.Z. acknowledges the support by NSF Grants CMMI-0758554 and 1100205. NR 42 TC 466 Z9 474 U1 81 U2 578 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 FEB PY 2012 VL 6 IS 2 BP 1522 EP 1531 DI 10.1021/nn204476h PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 898QW UT WOS:000300757900062 PM 22217200 ER PT J AU Goertz, MP Marks, LE Montano, GA AF Goertz, Matthew P. Marks, Lauryn E. Montano, Gabriel A. TI Biomimetic Mono layer and Bilayer Membranes Made From Amphiphilic Block Copolymer Micelles SO ACS NANO LA English DT Article DE polymer adsorption; biomimetic membranes; self-assembly; block copolymers; micelles; surfactants ID QUARTZ-CRYSTAL MICROBALANCE; LIPID-BILAYERS; PHOSPHOLIPID-BILAYERS; SUPPORTED BILAYER; ADSORPTION; SURFACE; DIFFUSION; POLYMERSOMES; CHOLESTEROL; REFLECTION AB The deposition of amphiphilic poly(ethylene oxide)-block-poly(butadiene) (PEO-b-PBD) copolymer micelles is demonstrated on solid substrates. Depending upon surface chemistry, micelle adsorption creates either monolayer or bilayer films. Lateral diffusion measurements reveal that strong coupling between hydrophilic surfaces and PEO blocks creates immobile bilayers, while monolayers retain the fluidity previously observed in vesicular assemblies. C1 [Goertz, Matthew P.; Marks, Lauryn E.; Montano, Gabriel A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Goertz, MP (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM mgoertz@lanl.gov; gbmon@lanl.gov FU U.S. Department of Energy [DE-AC52-06NA25396] FX This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 40 TC 13 Z9 13 U1 2 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD FEB PY 2012 VL 6 IS 2 BP 1532 EP 1540 DI 10.1021/nn204491q PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 898QW UT WOS:000300757900063 PM 22251101 ER PT J AU Patel, SN Javier, AE Stone, GM Mullin, SA Balsara, NP AF Patel, Shrayesh N. Javier, Anna E. Stone, Greg M. Mullin, Scott A. Balsara, Nitash P. TI Simultaneous Conduction of Electronic Charge and Lithium Ions in Block Copolymers SO ACS NANO LA English DT Article DE block copolymers; conducting polymers; mixed conductors; ac impedance; electronic conductivity; ionic conductivity ID FIELD-EFFECT TRANSISTORS; REGIOREGULAR POLY(3-HEXYLTHIOPHENE); MIXED CONDUCTORS; MOLECULAR-WEIGHT; ELECTRICAL-CONDUCTIVITY; POLYMER ELECTROLYTES; OXYGEN ELECTRODES; TRANSPORT; POLYTHIOPHENE; MORPHOLOGY AB The main objective of this work is to study charge transport in mixtures of poly(3-hexylthiophene)-b-poly(ethylene oxide) (P3HT-PEO) block copolymers and lithium bis-(trifluoromethanesulfonyl) imide salt (LiTFSI). The P3HT-rich microphase conducts electronic charge, while the PEO-rich microphase conducts ionic charge. The nearly symmetric P3HT-PEO copolymer used in this study self-assembles into a lamellar phase. In contrast, the morphologies of asymmetric copolymers with P3HT as the major component are dominated by nanofibrils. A combination of ac and dc impedance measurements was used to determine the electronic and ionic conductivities of our samples. The ionic conductivities of P3HT-PEO/LiTFSI mixtures are lower than those of mixtures of PEO homopolymer and LITFSI, in agreement with published data obtained from other block copolymer/salt mixtures. In contrast, the electronic conductivities of the asymmetric P3HT PEO copolymers are significantly higher than those of the P3HT homopolymer. This is unexpected because of the presence of the nonelectronically conducting PEO microphase. This implies that the Intrinsic electronic conductivity of the P3HT microphase in P3HT PEO copolymers is significantly higher than that of P3HT homopolymers. C1 [Patel, Shrayesh N.; Javier, Anna E.; Mullin, Scott A.; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Patel, Shrayesh N.; Stone, Greg M.; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Patel, Shrayesh N.; Javier, Anna E.; Stone, Greg M.; Mullin, Scott A.; Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. RP Balsara, NP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM nbalsara@berkeley.edu FU National Science Foundation (CBET) [0966632]; BAIT program at Lawrence Berkeley National Laboratory; U.S. DOE [DE-AC02-05CH11231] FX The measurement of electronic and ionic conductivities of the samples, which is the major portion of this work, was supported by a grant from the National Science Foundation (CBET 0966632). The polymer synthesis was supported the BAIT program at Lawrence Berkeley National Laboratory, U.S. DOE Contract No. DE-AC02-05CH11231. SAXS experiments were performed at the Advanced Light Source, LBNL, a DOE national user facility supported by the DOE under the same contract. We gratefully acknowledge A. Teran for providing the PEO conductivity data, and R. Segalman and M. Jeffries-EL for helpful discussions. NR 59 TC 40 Z9 40 U1 5 U2 112 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD FEB PY 2012 VL 6 IS 2 BP 1589 EP 1600 DI 10.1021/nn2045664 PG 12 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 898QW UT WOS:000300757900069 PM 22324447 ER PT J AU Oh, JE Clark, SM Wenk, HR Monteiro, PJM AF Oh, Jae Eun Clark, Simon M. Wenk, Hans-Rudolf Monteiro, Paulo J. M. TI Experimental determination of bulk modulus of 14 angstrom tobermorite using high pressure synchrotron X-ray diffraction SO CEMENT AND CONCRETE RESEARCH LA English DT Article DE C-S-H; X-ray diffraction; Elastic moduli; Mechanical properties; 14 angstrom tobermorite ID C-S-H; CALCIUM-SILICATE-HYDRATE; CRYSTAL-STRUCTURE; CEMENT; EQUATION; STATE; GELS AB Using a diamond anvil cell, 14 angstrom tobermorite, a structural analogue of calcium silicate hydrates (C-S-H), was examined by high-pressure synchrotron X-ray diffraction up to 4.8 GPa under hydrostatic conditions. The bulk modulus of 14 angstrom tobermorite was calculated, K-o = 47 GPa. Comparison of the current results with previous high pressure studies on C-S-H(I) indicates that: (1) the compression behavior of the lattice parameters a and b of 14 angstrom tobermorite and C-S-H(I) are very similar, implying that both materials may have very similar Ca-O layers, and also implying that an introduction of structural defects into the Ca-O layers may not substantially change in-plane incompressibility of the ab) plane of 14 angstrom tobermorite: and (2) the bulk modulus values of 14 angstrom tobermorite and C-S-H(I) are dominated by the incompressibility of the lattice parameter c, which is directly related to the interlayer spacing composed of dreierketten silicate chains, interlayer Ca, and water molecules. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Oh, Jae Eun; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Oh, Jae Eun] Ulsan Natl Inst Sci & Technol, Sch Urban & Environm Engn, Ulsan Metropolitan City 689798, South Korea. [Clark, Simon M.; Wenk, Hans-Rudolf] Macquarie Univ, Dept Earth & Planetary Sci, Sydney, NSW 2109, Australia. [Clark, Simon M.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA. RP Monteiro, PJM (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM monteiro@berkeley.edu OI Oh, Jae Eun/0000-0002-2318-3001 FU King Abdullah University of Science and Technology (KAUST) [KUS-l1-004021]; NIST [60NANB10D014]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This publication was based on the work supported in part by Award No. KUS-l1-004021, made by King Abdullah University of Science and Technology (KAUST) and by NIST grant 60NANB10D014. The Advanced Light Source is 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. The authors thank Dr. Anthony R. Kampf for providing the tobermorite used in this work. NR 33 TC 19 Z9 19 U1 2 U2 23 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-8846 J9 CEMENT CONCRETE RES JI Cem. Concr. Res. PD FEB PY 2012 VL 42 IS 2 BP 397 EP 403 DI 10.1016/j.cemconres.2011.11.004 PG 7 WC Construction & Building Technology; Materials Science, Multidisciplinary SC Construction & Building Technology; Materials Science GA 899JK UT WOS:000300812000018 ER PT J AU Scholz, MB Lo, CC Chain, PSG AF Scholz, Matthew B. Lo, Chien-Chi Chain, Patrick S. G. TI Next generation sequencing and bioinformatic bottlenecks: the current state of metagenomic data analysis SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID SHORT READ ALIGNMENT; ANNOTATION PIPELINE; RIBOSOMAL-RNA; GENOME; TOOL; COMMUNITY; MICROBIOTA; ALGORITHM; SYSTEM; DNA AB The recent technological advances in next generation sequencing have brought the field closer to the goal of reconstructing all genomes within a community by presenting high throughput sequencing at much lower costs. While these next-generation sequencing technologies have allowed a massive increase in available raw sequence data, there are a number of new informatics challenges and difficulties that must be addressed to improve the current state, and fulfill the promise of, metagenomics. C1 [Scholz, Matthew B.; Lo, Chien-Chi; Chain, Patrick S. G.] Los Alamos Natl Lab, Genome Sci Grp, Los Alamos, NM 87545 USA. [Scholz, Matthew B.; Lo, Chien-Chi; Chain, Patrick S. G.] Joint Genome Inst, Microbial & Metagenome Program, Walnut Creek, CA 94598 USA. RP Chain, PSG (reprint author), Los Alamos Natl Lab, Genome Sci Grp, POB 1663, Los Alamos, NM 87545 USA. EM pchain@lanl.gov RI chain, patrick/B-9777-2013; OI Chain, Patrick/0000-0003-3949-3634 FU Laboratory-Directed Research and Development of Los Alamos National Laboratory [20100034DR]; U.S. Department of Energy Joint Genome Institute through the Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Defense Threat Reduction Agency [B1041531, B0845311] FX This study was supported partly by Laboratory-Directed Research and Development of Los Alamos National Laboratory under grant number 20100034DR, by the U.S. Department of Energy Joint Genome Institute through the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and by grants from the U.S. Defense Threat Reduction Agency under contract numbers B1041531 and B0845311. NR 54 TC 101 Z9 106 U1 10 U2 280 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 EI 1879-0429 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD FEB PY 2012 VL 23 IS 1 BP 9 EP 15 DI 10.1016/j.copbio.2011.11.013 PG 7 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 900DZ UT WOS:000300868100003 PM 22154470 ER PT J AU Borglin, S Joyner, D DeAngelis, KM Khudyakov, J D'haeseleer, P Joachimiak, MP Hazen, T AF Borglin, Sharon Joyner, Dominique DeAngelis, Kristen M. Khudyakov, Jane D'haeseleer, Patrik Joachimiak, Marcin P. Hazen, Terry TI Application of phenotypic microarrays to environmental microbiology SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID DESULFOVIBRIO-VULGARIS HILDENBOROUGH; GROWTH CURVE; BACTERIA; PROFILES; STRESS; REDUCTION; MUTANTS; BIOLOGY; YEAST; TOOL AB Environmental organisms are extremely diverse and only a small fraction has been successfully cultured in the laboratory. Culture in micro wells provides a method for rapid screening of a wide variety of growth conditions and commercially available plates contain a large number of substrates, nutrient sources, and inhibitors, which can provide an assessment of the phenotype of an organism. This review describes applications of phenotype arrays to anaerobic and thermophilic microorganisms, use of the plates in stress response studies, in development of culture media for newly discovered strains, and for assessment of phenotype of environmental communities. Also discussed are considerations and challenges in data interpretation and visualization, including data normalization, statistics, and curve fitting. C1 [Borglin, Sharon; Joyner, Dominique; DeAngelis, Kristen M.; Hazen, Terry] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Ecol, Berkeley, CA 94720 USA. [DeAngelis, Kristen M.] Univ Massachusetts, Dept Microbiol, Amherst, MA 01003 USA. [DeAngelis, Kristen M.; Khudyakov, Jane; D'haeseleer, Patrik; Hazen, Terry] Joint Bioenergy Inst, Microbial Communities Grp, Emeryville, CA USA. [D'haeseleer, Patrik] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA USA. [Joachimiak, Marcin P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Joachimiak, Marcin P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Virtual Inst Microbial Stress & Survival, Berkeley, CA 94720 USA. [Hazen, Terry] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. [Hazen, Terry] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP Hazen, T (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Ecol, 1 Cyclotron Rd,MS 70A-3317, Berkeley, CA 94720 USA. EM tchazen@utk.edu RI Khudyakov, Jane/C-1213-2014; Borglin, Sharon/I-1013-2016; Hazen, Terry/C-1076-2012; OI Hazen, Terry/0000-0002-2536-9993; D'haeseleer, Patrik/0000-0003-0007-8150; Khudyakov, Jane/0000-0001-7038-102X; DeAngelis, Kristen/0000-0002-5585-4551 NR 54 TC 18 Z9 18 U1 1 U2 30 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD FEB PY 2012 VL 23 IS 1 BP 41 EP 48 DI 10.1016/j.copbio.2011.12.006 PG 8 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 900DZ UT WOS:000300868100008 PM 22217654 ER PT J AU Desai, N Antonopoulos, D Gilbert, JA Glass, EM Meyer, F AF Desai, Narayan Antonopoulos, Dion Gilbert, Jack A. Glass, Elizabeth M. Meyer, Folker TI From genomics to metagenomics SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID OCEAN SAMPLING EXPEDITION; PHYLOGENETIC CLASSIFICATION; DNA FRAGMENTS; SEQUENCES; DATABASE; READS; ASSEMBLER; RESOURCE; SERVER; BLAST AB Next-generation sequencing has changed metagenomics. However, sequencing DNA is no longer the bottleneck, rather, the bottleneck is computational analysis and also interpretation. Computational cost is the obvious issue, as is tool limitations, considering most of the tools we routinely use have been built for clonal genomics or are being adapted to microbial communities. The current trend in metagenomics analysis is toward reducing computational costs through improved algorithms and through analysis strategies. Data sharing and interoperability between tools are critical, since computation for metagenomic datasets is very high. C1 [Desai, Narayan; Glass, Elizabeth M.; Meyer, Folker] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Antonopoulos, Dion; Gilbert, Jack A.; Meyer, Folker] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [Antonopoulos, Dion] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. RP Meyer, F (reprint author), Argonne Natl Lab, Math & Comp Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM folker@anl.gov OI Meyer, Folker/0000-0003-1112-2284 FU U.S. Department of Energy [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, under Contract DE-AC02-06CH11357. NR 38 TC 34 Z9 34 U1 4 U2 55 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD FEB PY 2012 VL 23 IS 1 BP 72 EP 76 DI 10.1016/j.copbio.2011.12.017 PG 5 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 900DZ UT WOS:000300868100012 PM 22227326 ER PT J AU Wu, MY Singh, AK AF Wu, Meiye Singh, Anup K. TI Single-cell protein analysis SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID FLOW-CYTOMETRY; MASS-SPECTROMETRY; T-CELLS; DYNAMICS; IDENTIFICATION; TRANSCRIPTOME; ENUMERATION; NETWORKS; PLATFORM; ELISPOT AB Heterogeneity of cellular systems has been widely recognized but only recently have tools become available that allow probing of genes and proteins in single cells to understand it. While the advancement in single cell genomic analysis has been greatly aided by the power of amplification techniques (e.g. PCR), analysis of proteins in single cells has proven to be more challenging. However, recent advances in multi-parameter flow cytometry, microscopy, microfluidics and other techniques have made it possible to measure wide variety of proteins in single cells. In this review, we highlight key recent developments in analysis of proteins in a single cell (excluding imaging-based methods), and discuss their significance in biological research. C1 [Wu, Meiye; Singh, Anup K.] Sandia Natl Labs, Dept Bioengn & Biotechnol, Livermore, CA 94550 USA. RP Singh, AK (reprint author), Sandia Natl Labs, Dept Bioengn & Biotechnol, Livermore, CA 94550 USA. EM aksingh@sandia.gov OI Wu, Meiye/0000-0003-3712-1554 FU NIDCR [R01 DE020891, P50GM085273]; NIGMS; ENIGMA, a Lawrence Berkeley National Laboratory; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research; United States Department of Energy [DE-AC04-94AL85000] FX Financial support for preparation and some of the work included was provided by the grants: R01 DE020891, funded by the NIDCR; P50GM085273 (the New Mexico Spatiotemporal Modeling Center) funded by the NIGMS; and ENIGMA, a Lawrence Berkeley National Laboratory Scientific Focus Area Program supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research. Sandia is a multi-program laboratory operated by Sandia Corp., a Lockheed Martin Co., for the United States Department of Energy under Contract DE-AC04-94AL85000. NR 36 TC 55 Z9 56 U1 6 U2 76 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD FEB PY 2012 VL 23 IS 1 BP 83 EP 88 DI 10.1016/j.copbio.2011.11.023 PG 6 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 900DZ UT WOS:000300868100014 PM 22189001 ER PT J AU Yannone, SM Hartung, S Menon, AL Adams, MWW Tainer, JA AF Yannone, Steven M. Hartung, Sophia Menon, Angeli L. Adams, Michael W. W. Tainer, John A. TI Metals in biology: defining metalloproteomes SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID PLASMA-MASS SPECTROMETRY; IRON-MOLYBDENUM COFACTOR; SUPEROXIDE-DISMUTASE; CRYSTAL-STRUCTURE; DNA RECOGNITION; PROTEIN; ZINC; MECHANISM; INSIGHTS; DATABASE AB The vital nature of metal uptake and balance in biology is evident in the highly evolved strategies to facilitate metal homeostasis in all three domains of life. Several decades of study on metals and metalloproteins have revealed numerous essential bio-metal functions. Recent advances in mass spectrometry, X-ray scattering/absorption, and proteomics have exposed a much broader usage of metals in biology than expected. Even elements such as uranium, arsenic, and lead are implicated in biological processes as part of an emerging and expansive view of bio-metals. Here we discuss opportunities and challenges for established and newer approaches to study metalloproteins with a focus on technologies that promise to rapidly expand our knowledge of metalloproteins and metal functions in biology. C1 [Yannone, Steven M.; Hartung, Sophia; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Menon, Angeli L.; Adams, Michael W. W.] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. RP Yannone, SM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Mail Stop 84-171,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM SMYannone@lbl.gov FU ENIGMA - Ecosystems and Networks Integrated with Genes and Molecular Assemblies; U.S. Department of Energy Office of Science and Office of Biological and Environmental Research [DE-AC02-05CH11231]; National Institutes of Health [AI22160] FX We thank Jill O. Fuss and Barbara K. Burgess for inspiring discussions and acknowledge support of ENIGMA - Ecosystems and Networks Integrated with Genes and Molecular Assemblies, a project supported by the U.S. Department of Energy Office of Science and Office of Biological and Environmental Research under Contract No. DE-AC02-05CH11231. John Tainer's efforts on microbial systems relating to pathogenesis were funded by National Institutes of Health Grant AI22160. NR 51 TC 27 Z9 27 U1 3 U2 70 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD FEB PY 2012 VL 23 IS 1 BP 89 EP 95 DI 10.1016/j.copbio.2011.11.005 PG 7 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 900DZ UT WOS:000300868100015 PM 22138493 ER PT J AU Yoon, WS Nam, KW Jang, D Chung, KY Cho, YH Choi, S Hanson, JC Yang, XQ AF Yoon, Won-Sub Nam, Kyung-Wan Jang, Donghyuk Chung, Kyung Yoon Cho, Yong-Hun Choi, Seungdon Hanson, Jonathan C. Yang, Xiao-Qing TI The kinetic effect on structural behavior of mixed LiMn2O4-LiNi1/3Co1/3Mn1/3O2 cathode materials studied by in situ time-resolved X-ray diffraction technique SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE Lithium battery; Time-resolved XRD; Composite cathode; LiMn2O4; LiNi1/3Co1/3Mn1/3O2 ID LI-ION BATTERIES; ELECTROCHEMICAL EVALUATION; THERMAL-DECOMPOSITION; PHASE-TRANSITIONS; COMPOSITE CATHODE; LINI0.8CO0.2O2; LIMN2O4; SPINEL; OXIDE; XRD AB How the structural changes of each active material in mixed cathode systems take place at different charge-discharge rates is quite important in the application of the system in which the mixed cathode materials with different rate capabilities are formed into one composite electrode. Here we report the results of the real time structural change studies of mixed LiMn2O4-LiNi1/3Co1/3Mn1/3O2 composite cathode in a Li-ion cell by using in situ synchrotron-based time resolved x-ray diffraction (TR-XRD) technique. The layer structured component in the mixed composite cathode system shows less utilization at fast discharge rate (high power mode) whereas the spinel structured component is fully utilized. This clearly demonstrates that the reduced capacity at fast discharge rate for this system is caused by the less utilization of the layer structured component. The real time monitoring of the structural behavior at various discharge rates is a great tool to design the best ratios of active materials with different rate capabilities in the mixed cathode systems for different applications. (C) 2011 Elsevier B.V. All rights reserved. C1 [Yoon, Won-Sub; Jang, Donghyuk] Sungkyunkwan Univ, Dept Energy Sci, Suwon 440746, South Korea. [Nam, Kyung-Wan; Hanson, Jonathan C.; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Chung, Kyung Yoon] Korea Inst Sci & Technol, Energy Storage Res Ctr, Seoul 136791, South Korea. [Cho, Yong-Hun] Kookmin Univ, Sch Adv Mat Engn, Seoul, South Korea. [Choi, Seungdon] LG Chem Res Pk, Battery Res & Dev, Taejon 305380, South Korea. RP Yoon, WS (reprint author), Sungkyunkwan Univ, Dept Energy Sci, Suwon 440746, South Korea. EM wsyoon@skku.edu; knam@bnl.gov RI 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; Chung, Kyung Yoon/E-4646-2011 OI Nam, Kyung-Wan/0000-0001-6278-6369; Nam, Kyung-Wan/0000-0001-6278-6369; Chung, Kyung Yoon/0000-0002-1273-746X FU U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies [DEAC02-98CH10886]; Global Research Laboratory through the National Research Foundation of Korea (NRF); Ministry of Education, Science and Technology (MEST) [2011-00115]; National Research Foundation; Fundamental R&D Program for Technology of World Premier Materials; Korean Government [NRF-2010-C1AAA001-2010-0029065/2009-0067121/R31-2008-10029] FX The work done at Brookhaven National Lab. was supported by the U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies under Contract number DEAC02-98CH10886. The work done at KIST was supported by the Global Research Laboratory Program through the National Research Foundation of Korea (NRF), which is funded by the Ministry of Education, Science and Technology (MEST) (grant number: 2011-00115). The work at Sungkyunkwan University was supported by the National Research Foundation and the Fundamental R&D Program for Technology of World Premier Materials funded by the Korean Government (NRF-2010-C1AAA001-2010-0029065/2009-0067121/R31-2008-10029). NR 17 TC 9 Z9 11 U1 5 U2 67 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 FEB PY 2012 VL 15 IS 1 BP 74 EP 77 DI 10.1016/j.elecom.2011.11.027 PG 4 WC Electrochemistry SC Electrochemistry GA 900BA UT WOS:000300860400019 ER PT J AU Pereira, JH Ralston, CY Douglas, NR Kumar, R Lopez, T McAndrew, RP Knee, KM King, JA Frydman, J Adams, PD AF Pereira, Jose H. Ralston, Corie Y. Douglas, Nicholai R. Kumar, Ramya Lopez, Tom McAndrew, Ryan P. Knee, Kelly M. King, Jonathan A. Frydman, Judith Adams, Paul D. TI Mechanism of nucleotide sensing in group II chaperonins SO EMBO JOURNAL LA English DT Article DE ATPase activity; chaperonins; nucleotide-sensing; protein folding; structure ID EUKARYOTIC CHAPERONIN; ATP HYDROLYSIS; LID CLOSURE; FLUORIDE COMPLEXES; CRYSTAL-STRUCTURES; GAMMA-PHOSPHATE; FOLDING CHAMBER; GROEL-GROES; PROTEIN; TCP-1 AB Group II chaperonins mediate protein folding in an ATP-dependent manner in eukaryotes and archaea. The binding of ATP and subsequent hydrolysis promotes the closure of the multi-subunit rings where protein folding occurs. The mechanism by which local changes in the nucleotide-binding site are communicated between individual subunits is unknown. The crystal structure of the archaeal chaperonin from Methanococcus maripaludis in several nucleotides bound states reveals the local conformational changes associated with ATP hydrolysis. Residue Lys-161, which is extremely conserved among group II chaperonins, forms interactions with the gamma-phosphate of ATP but shows a different orientation in the presence of ADP. The loss of the ATP gamma-phosphate interaction with Lys-161 in the ADP state promotes a significant rearrangement of a loop consisting of residues 160-169. We propose that Lys-161 functions as an ATP sensor and that 160-169 constitutes a nucleotide-sensing loop (NSL) that monitors the presence of the gamma-phosphate. Functional analysis using NSL mutants shows a significant decrease in ATPase activity, suggesting that the NSL is involved in timing of the protein folding cycle. The EMBO Journal (2012) 31, 731-740. doi: 10.1038/emboj.2011.468; Published online 23 December 2011 C1 [Pereira, Jose H.; Ralston, Corie Y.; McAndrew, Ryan P.; Adams, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Douglas, Nicholai R.; Kumar, Ramya; Lopez, Tom; Frydman, Judith] Stanford Univ, Dept Biol, Stanford, CA 94305 USA. [Douglas, Nicholai R.; Kumar, Ramya; Lopez, Tom; Frydman, Judith] Stanford Univ, BioX Program, Stanford, CA 94305 USA. [Knee, Kelly M.; King, Jonathan A.] MIT, Dept Biol, Cambridge, MA USA. [Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Adams, PD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM pdadams@lbl.gov RI Adams, Paul/A-1977-2013 OI Adams, Paul/0000-0001-9333-8219 FU National Institutes of Health; National Institute of General Medical Sciences; Howard Hughes Medical Institute; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231]; NIH Roadmap [2PN2EY016525] FX We are grateful to the staff of the Berkeley Center for Structural Biology at the Advanced Light Source of Lawrence Berkeley National Laboratory. The Berkeley Center for Structural Biology was supported in part by the National Institutes of Health and National Institute of General Medical Sciences, and the Howard Hughes Medical Institute. The Advanced Light Source was supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract No. DE-AC02-05CH11231. This work was performed as part of the Center for Protein Folding Machinery; a NIH Roadmap-supported Nanomedicine Development Center, through Grant 2PN2EY016525. NR 33 TC 10 Z9 10 U1 1 U2 11 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0261-4189 J9 EMBO J JI Embo J. PD FEB 1 PY 2012 VL 31 IS 3 BP 731 EP 740 DI 10.1038/emboj.2011.468 PG 10 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 900FJ UT WOS:000300871700020 PM 22193720 ER PT J AU Brown, DW Butchko, RAE Baker, SE Proctor, RH AF Brown, Daren W. Butchko, Robert A. E. Baker, Scott E. Proctor, Robert H. TI Phylogenomic and functional domain analysis of polyketide synthases in Fusarium SO FUNGAL BIOLOGY LA English DT Article DE Fusarium; Microarray; Phylogenomic analysis; Polyketide; Secondary metabolites ID BIOSYNTHESIS; GENES; GRAMINEARUM; MYCOTOXINS; FUMONISINS; GENOMICS; TOXINS; VERTICILLIOIDES; IDENTIFICATION; NORMALIZATION AB Fusarium species are ubiquitous in nature, cause a range of plant diseases, and produce a variety of chemicals often referred to as secondary metabolites. Although some fungal secondary metabolites affect plant growth or protect plants from other fungi and bacteria, their presence in grain-based food and feed is more often associated with a variety of diseases in plants and in animals. Many of these structurally diverse metabolites are derived from a family of related enzymes called polyketide synthases (PKSs). A search of genomic sequence of Fusarium verticillioides, Fusarium graminearum, Fusarium oxysporum, and Fusarium solani identified a total of 58 PKS genes. To gain insight into how this gene family evolved and to guide future studies, we conducted phylogenomic and functional domain analyses. The resulting geneaology suggested that Fusarium PKSs represent 34 different groups responsible for synthesis of different core metabolites. The analyses indicate that variation in the Fusarium PKS gene family is due to gene duplication and loss events as well as enzyme gain-of-function due to the acquisition of new domains or of loss-of-function due to nucleotide mutations. Transcriptional analysis indicates that the 16 F. verticillioides PKS genes are expressed under a range of conditions, further evidence that they are functional genes that confer the ability to produce secondary metabolites. Published by Elsevier Ltd on behalf of The British Mycological Society. C1 [Brown, Daren W.; Butchko, Robert A. E.; Proctor, Robert H.] ARS, USDA, NCAUR, Peoria, IL 61604 USA. [Baker, Scott E.] Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Richland, WA 99352 USA. RP Brown, DW (reprint author), ARS, USDA, NCAUR, 1815 N Univ St, Peoria, IL 61604 USA. EM daren.brown@ars.usda.gov NR 55 TC 28 Z9 28 U1 3 U2 21 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1878-6146 J9 FUNGAL BIOL-UK JI Fungal Biol. PD FEB PY 2012 VL 116 IS 2 BP 318 EP 331 DI 10.1016/j.funbio.2011.12.005 PG 14 WC Mycology SC Mycology GA 900UV UT WOS:000300917700015 PM 22289777 ER PT J AU Lee, J Hwang, T Song, D Kim, JT AF Lee, Joonghoon Hwang, Taeyon Song, Doosam Kim, Jeong Tai TI Quantitative Reduction Method of Draft in High-Rise Buildings, Using Revolving Doors SO INDOOR AND BUILT ENVIRONMENT LA English DT Article DE Stack effect; Revolving doors; Drafts; Simulations ID VENTILATION; STRATEGIES AB Drafts in high-rise buildings caused by the stack effect can cause noise and reduce the performances of ventilation, cooling and heating systems as well as the building's energy efficiency. Revolving doors are generally used as a method to reduce drafts; however, the effect would only be limited to the main entrance on the lobby floor. Revolving doors have two main advantages; that their opening areas are seldom changed by people passing through the doors, and the doors do not have the pressure-related functional problems. Considering these advantages, this study examined a quantitative draft reduction method using revolving doors in high-rise buildings. This method would contribute to the design process to install revolving doors to buildings and consists of 10 steps with two key steps of selecting the installation locations of revolving doors and to calculate the air leakage area of revolving doors. Verification through simulations showed that, based on this process, the use of revolving doors could reduce the drafts in buildings by a quantified target value. Furthermore, the possibility of problems due to the stack effect in the other walls of buildings would decrease due to the pressure sharing of the additional walls fitted to revolving doors. C1 [Hwang, Taeyon] Kyung Hee Univ, Dept Architectural Engn, Yongin 446701, South Korea. [Lee, Joonghoon] Samsung C&T Corp, Technol Res Ctr, Seoul 137857, South Korea. [Hwang, Taeyon; Kim, Jeong Tai] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol Dept, Berkeley, CA 94720 USA. [Song, Doosam] Sungkyunkwan Univ, Dept Architectural Engn, Suwon 440746, South Korea. RP Hwang, T (reprint author), Kyung Hee Univ, Dept Architectural Engn, Yongin 446701, South Korea. EM hwang@khu.ac.kr FU National Research Foundation of Korea (NRF); Korea government (MEST) [2011-0001031] FX This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST), (No. 2011-0001031). NR 18 TC 3 Z9 3 U1 3 U2 16 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1420-326X J9 INDOOR BUILT ENVIRON JI Indoor Built Environ. PD FEB PY 2012 VL 21 IS 1 SI SI BP 79 EP 91 DI 10.1177/1420326X11420014 PG 13 WC Construction & Building Technology; Engineering, Environmental; Public, Environmental & Occupational Health SC Construction & Building Technology; Engineering; Public, Environmental & Occupational Health GA 890ZH UT WOS:000300185200009 ER PT J AU Hwang, T Lee, DG Kim, JT AF Hwang, Taeyon Lee, Dong Gi Kim, Jeong Tai TI Optimal Illuminance of Seven Major Lighting Colours in LED: Focus on Occupant Comfort and Communication in an Indoor Environment SO INDOOR AND BUILT ENVIRONMENT LA English DT Article DE LED; Lighting colours; Reasonable range of illuminance; Permissible range of illuminance; Occupants' comfort and communication; Purity of colours AB This study aims to evaluate the optimal illuminance for each lighting colour of light-emitting diode (LED) light sources among the seven major lighting colours (red, green, blue, cyan, magenta, yellow and white); the focus was on the optimal combination of these colours for enhancement of occupant comfort and communication indoors. The evaluation of optimal illuminance for LED lighting colours found that the occupants felt the cyan LED light source was similar to a white light source, and that the relative brightness of the green lighting colour was higher than that for other colours. The evaluation of the permissible range of illuminance for LED lighting colours found that occupants believed the red lighting colours to be relatively darker; again, the relative brightness of green lighting was considered to be higher. An experiment with subjects for LED lighting colours (consisting of 19 patterns of 7 colours in the living room of a house) found that the optimal illuminance for occupants' comfort was 32[lx]-119[lx], and for occupants' communication was 107[lx]-584[lx]. These results satisfied the illuminance criteria of Korean Standards as the optimal illuminance for occupants' comfort and communication in the living room. C1 [Lee, Dong Gi] Univ Tokyo, Grad Sch Engn, Dept Architecture, Tokyo 1138656, Japan. [Hwang, Taeyon; Kim, Jeong Tai] Kyung Hee Univ, Dept Architectural Engn, Yongin 446701, South Korea. [Hwang, Taeyon] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol Dept, Berkeley, CA 94720 USA. RP Lee, DG (reprint author), Univ Tokyo, Grad Sch Engn, Dept Architecture, Tokyo 1138656, Japan. EM hwang@khu.ac.kr FU National Research Foundation of Korea (NRF); Korea government (MEST) [2011-0001031] FX This Work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST) (No. 2011-0001031). NR 19 TC 6 Z9 6 U1 0 U2 8 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1420-326X J9 INDOOR BUILT ENVIRON JI Indoor Built Environ. PD FEB PY 2012 VL 21 IS 1 SI SI BP 122 EP 128 DI 10.1177/1420326X11420013 PG 7 WC Construction & Building Technology; Engineering, Environmental; Public, Environmental & Occupational Health SC Construction & Building Technology; Engineering; Public, Environmental & Occupational Health GA 890ZH UT WOS:000300185200013 ER PT J AU Dennis, JM Vertenstein, M Worley, PH Mirin, AA Craig, AP Jacob, R Mickelson, S AF Dennis, John M. Vertenstein, Mariana Worley, Patrick H. Mirin, Arthur A. Craig, Anthony P. Jacob, Robert Mickelson, Sheri TI Computational performance of ultra-high-resolution capability in the Community Earth System Model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE Performance engineering; climate modeling; high-resolution; application optimization; Earth system modeling AB With the fourth release of the Community Climate System Model, the ability to perform ultra-high-resolution climate simulations is now possible, enabling eddy-resolving ocean and sea-ice models to be coupled to a finite-volume atmosphere model for a range of atmospheric resolutions. This capability was made possible by enabling the model to use large scale parallelism, which required a significant refactoring of the software infrastructure. We describe the scalability of two ultra-high-resolution coupled configurations on leadership class computing platforms. We demonstrate the ability to utilize over 30,000 processor cores on a Cray XT5 system and over 60,000 cores on an IBM Blue Gene/P system to obtain climatologically relevant simulation rates for these configurations. C1 [Dennis, John M.] Natl Ctr Atmospher Res, Comp & Informat Syst Lab, Boulder, CO 80305 USA. [Vertenstein, Mariana; Craig, Anthony P.] Natl Ctr Atmospher Res, Earth Syst Lab, Boulder, CO 80305 USA. [Worley, Patrick H.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. [Mirin, Arthur A.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Sci Comp Grp, Livermore, CA USA. [Jacob, Robert; Mickelson, Sheri] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Dennis, JM (reprint author), Natl Ctr Atmospher Res, Comp & Informat Syst Lab, 1850 Table Mesa Dr, Boulder, CO 80305 USA. EM dennis@ucar.edu OI Jacob, Robert/0000-0002-9444-6593 FU National Science Foundation [NSF01]; Department of Energy, Office of Biological and Environmental Research [DE-FC02-97ER62402, DE-FC02-07ER64340]; Climate Change Prediction Program [DE-PS02-07ER07-06]; DOE [DE-FG02-06ER06-04]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Climate and Environmental Sciences Division of the Office of Biological and Environmental Research; Office of Advanced Scientific Computing Research; Office of Science, U.S. Department of Energy [DE-AC05-00OR22725, DE-AC02-06CH11357]; UT-Battelle, LLC; Office of Science of the Department of Energy [DE-AC05-00OR22725]; [OCI-0749206]; [CCF-0937939]; [AGS-0856145] FX This work was financially supported through National Science Foundation Cooperative Grant NSF01 which funds the National Center for Atmospheric Research (NCAR), and through the grants #OCI-0749206, #CCF-0937939, and #AGS-0856145. Additional funding is provided through the Department of Energy, Office of Biological and Environmental Research under grants #DE-FC02-97ER62402, and #DE-FC02-07ER64340 and Climate Change Prediction Program Grant #DE-PS02-07ER07-06 and the DOE Scientific Discovery through Advanced Computing Program grant #DE-FG02-06ER06-04. Work on the part of A. A. Mirin was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract #DE-AC52-07NA27344. The work of P. H. Worley was sponsored in part by the Climate and Environmental Sciences Division of the Office of Biological and Environmental Research and by the Office of Advanced Scientific Computing Research, both in the Office of Science, U.S. Department of Energy, under contract #DE-AC05-00OR22725 with UT-Battelle, LLC.; This work used resources of the Oak Ridge Leadership Computing Facility, located in the National Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under Contract #DE-AC05-00OR22725. It also 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 32 TC 28 Z9 29 U1 0 U2 11 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 EI 1741-2846 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 5 EP 16 DI 10.1177/1094342012436965 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500002 ER PT J AU Mirin, AA Worley, PH AF Mirin, Arthur A. Worley, Patrick H. TI Improving the performance scalability of the community atmosphere model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE atmospheric modeling; CAM; massively parallel computing; performance; scalability ID VOLUME DYNAMICAL CORE AB The Community Atmosphere Model (CAM), which serves as the atmosphere component of the Community Climate System Model (CCSM), is the most computationally expensive CCSM component in typical configurations. On current and next-generation leadership class computing systems, the performance of CAM is tied to its parallel scalability. Improving performance scalability in CAM has been a challenge, due largely to algorithmic restrictions necessitated by the polar singularities in its latitude-longitude computational grid. Nevertheless, through a combination of exploiting additional parallelism, implementing improved communication protocols, and eliminating scalability bottlenecks, we have been able to more than double the maximum throughput rate of CAM on production platforms. We describe these improvements and present results on the Cray XT5 and IBM BG/P. The approaches taken are not specific to CAM and may inform similar scalability enhancement activities for other codes. C1 [Mirin, Arthur A.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Sci Comp Grp, Livermore, CA 94551 USA. [Worley, Patrick H.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. RP Mirin, AA (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Sci Comp Grp, POB 808, Livermore, CA 94551 USA. EM mirin@llnl.gov FU US Government [DE-AC05-00OR22725, DE-AC52-07NA27344]; Climate and Environmental Sciences Division of the Office of Biological and Environmental Research in the Office of Science, US Department of Energy [DE-AC05-00OR22725]; Office of Advanced Scientific Computing Research, in the Office of Science, US Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC; Lawrence Livermore National Security, LLC [DE-AC52-07NA27344]; Office of Science of the Department of Energy [DE-AC05-00OR22725, DE-AC02-06CH11357] FX This work has been authored by contractors of the US Government (contract numbers DE-AC05-00OR22725 and DE-AC52-07NA27344), and is released as LLNL Report LLNL-JRNL-436196. Accordingly, the US Government retains a non-exclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for US Government purposes.; This research was sponsored by the Climate and Environmental Sciences Division of the Office of Biological and Environmental Research and by the Office of Advanced Scientific Computing Research, both in the Office of Science, US Department of Energy (contract number DE-AC05-00OR22725) with UT-Battelle, LLC and also at Lawrence Livermore National Security, LLC (contract number DE-AC52-07NA27344). This work used resources of the Oak Ridge Leadership Computing Facility, located in the National Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy (contract number DE-AC05-00OR22725). It also used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the US Department of Energy under contract DE-AC02-06CH11357. NR 19 TC 8 Z9 9 U1 0 U2 5 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 17 EP 30 DI 10.1177/1094342011412630 PG 14 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500003 ER PT J AU Craig, AP Vertenstein, M Jacob, R AF Craig, Anthony P. Vertenstein, Mariana Jacob, Robert TI A new flexible coupler for earth system modeling developed for CCSM4 and CESM1 SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE climate; Community Climate System Model; coupler; coupling; CPL7; model; performance; scaling ID CLIMATE MODEL; COMMUNITY; TOOLKIT AB The Community Climate System Model (CCSM) has been developed over the last decade, and it is used to understand past, present, and future climates. The latest versions of the model, CCSM4 and CESM1, contain totally new coupling capabilities in the CPL7 coupler that permit additional flexibility and extensibility to address the challenges involved in earth system modeling. The CPL7 coupling architecture takes a completely new approach with respect to the high-level design of the system. CCSM4 now contains a top-level driver that calls model component initialize, run, and finalize methods through specified interfaces. The top-level driver allows the model components to be placed on relatively arbitrary hardware processor layouts and run sequentially, concurrently, or mixed. Improvements have been made to the memory and performance scaling of the coupler to support much higher resolution configurations. CCSM4 scales better to higher processor counts, and has the ability to handle global resolutions up to one-tenth of a degree. C1 [Craig, Anthony P.; Vertenstein, Mariana] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO 80307 USA. [Jacob, Robert] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Vertenstein, M (reprint author), Natl Ctr Atmospher Res, Climate & Global Dynam Div, POB 3000, Boulder, CO 80307 USA. EM tcraig@ucar.edu OI Jacob, Robert/0000-0002-9444-6593 FU National Science Foundation [AGS-0856145]; Office of Science (BER) of the US Department of Energy [DE-FC02-97ER62402, DE-FC02-07ER64340, DE-AC02-06CH11357, DE-AC05-00OR22725]; Office of Science of the US Department of Energy [DE-AC02-06CH11357] FX The CESM project is supported by the National Science Foundation and the Office of Science (BER) of the US Department of Energy. The NCAR is sponsored by the National Science Foundation. This work has been supported by the Office of Science (BER) US Department of Energy under contracts DE-FC02-97ER62402, DE-FC02-07ER64340 and DE-AC02-06CH11357. Additional support has been provided by the National Science Foundation grant AGS-0856145. This research used resources at the Climate Simulation Laboratory at NCAR's Computation and Information Systems Laboratory (CISL), sponsored by the National Science Foundation; the Oak Ridge Leadership Computing Facility located in the NCCS at ORNL, which is supported by the Office of Science (BER) of the Department of Energy under Contract DE-AC05-00OR22725; and the Argonne Leadership Computing Facility at ANL, which is supported by the Office of Science of the US Department of Energy under contract DE-AC02-06CH11357 NR 17 TC 41 Z9 45 U1 0 U2 18 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 31 EP 42 DI 10.1177/1094342011428141 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500004 ER PT J AU Dennis, JM Edwards, J Loy, R Jacob, R Mirin, AA Craig, AP Vertenstein, M AF Dennis, John M. Edwards, Jim Loy, Ray Jacob, Robert Mirin, Arthur A. Craig, Anthony P. Vertenstein, Mariana TI An application-level parallel I/O library for Earth system models SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE Parallel I/O; Earth System Modeling; parallel computing; memory efficient; netCDF ID COUPLING TOOLKIT AB We describe the design and implementation of an application-level parallel I/O (PIO) library for the reading and writing of distributed arrays to several common scientific data formats. PIO provides the flexibility to control the number of I/O tasks through data rearrangement to an I/O friendly decomposition. This flexibility enables reductions in per task memory usage and improvements in disk I/O performance versus a serial I/O approach. We illustrate the impact various features within PIO have on memory usage and disk I/O bandwidth on a Cray XT5 system. C1 [Dennis, John M.] Natl Ctr Atmospher Res, Comp & Informat Syst Lab, Boulder, CO 80305 USA. [Edwards, Jim; Craig, Anthony P.; Vertenstein, Mariana] Natl Ctr Atmospher Res, Earth Syst Lab, Boulder, CO 80305 USA. [Loy, Ray; Jacob, Robert] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Mirin, Arthur A.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Sci Comp Grp, Livermore, CA USA. RP Dennis, JM (reprint author), Natl Ctr Atmospher Res, Comp & Informat Syst Lab, 1850 Table Mesa Dr, Boulder, CO 80305 USA. EM dennis@ucar.edu OI Jacob, Robert/0000-0002-9444-6593 FU National Science Foundation [NSF01, OCI-0749206, CCF-0937939, OCE-0825754, AGS-0856145]; Department of Energy, Office of Biological and Environmental Research [DE-FC02-97ER62402, DE-FC02-07ER64340]; Climate Change Prediction Program [DE-PS02-07ER07-06]; DOE [DE-FG02-06ER06-04]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Office of Science of the US Department of Energy [DE-AC02-06CH11357] FX This work was financially supported by the National Science Foundation (Cooperative Grant NSF01 that funds the National Center for Atmospheric Research [NCAR], and grant numbers OCI-0749206, CCF-0937939, OCE-0825754, and AGS-0856145). Additional funding is provided through the Department of Energy, Office of Biological and Environmental Research (grant numbers DE-FC02-97ER62402 and DE-FC02-07ER64340) and Climate Change Prediction Program (Program Grant DE-PS02-07ER07-06) and the DOE Scientific Discovery through Advanced Computing Program (grant number DE-FG02-06ER06-04). Work on the part of AA Mirin was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory (contract number DE-AC52-07NA27344). This manuscript has been created in part by Argonne National Laboratory and the Argonne Leadership Computing Facility, which are supported by the Office of Science of the US Department of Energy (contract number DE-AC02-06CH11357). NR 22 TC 10 Z9 11 U1 0 U2 10 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 43 EP 53 DI 10.1177/1094342011428143 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500005 ER PT J AU Evans, KJ Salinger, AG Worley, PH Price, SF Lipscomb, WH Nichols, JA White, JB Perego, M Vertenstein, M Edwards, J Lemieux, JF AF Evans, Katherine J. Salinger, Andrew G. Worley, Patrick H. Price, Stephen F. Lipscomb, William H. Nichols, Jeffrey A. White, James B., III Perego, Mauro Vertenstein, Mariana Edwards, James Lemieux, Jean-Francois TI A modern solver interface to manage solution algorithms in the Community Earth System Model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE ice-sheet applications; Earth System Model applications; iterative solution techniques; reusable libraries AB Global Earth System Models (ESMs) can now produce simulations that resolve similar to 50 km features and include finer scale, interacting physical processes. However, the current explicit algorithms that dominate production ESMs require ever-decreasing time steps in order to achieve these fine-resolution solutions, which limits time to solution even when efficiently exploiting the spatial parallelism. Solution methods that overcome these bottlenecks can be quite intricate, and there is no single set of algorithms that perform well across the range of problems of interest. This creates significant implementation challenges, which is further compounded by the complexity of ESMs. Therefore, prototyping and evaluating new algorithms in these models requires a software interface that is flexible, extensible, and easily introduced into the existing software. We describe our efforts to create a parallel solver interface that links the Trilinos collection of solver libraries to the Glimmer Community Ice Sheet Model (Glimmer-CISM), a continental ice-sheet model used in the Community Earth System Model (CESM). We demonstrate this interface within both current and developmental versions of Glimmer-CISM and provide strategies for its integration into the rest of the CESM. C1 [Evans, Katherine J.] Oak Ridge Natl Lab, Computat Earth Sci Grp, Oak Ridge, TN 37831 USA. [Worley, Patrick H.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Nichols, Jeffrey A.] Oak Ridge Natl Lab, Ecosyst Sci Grp, Oak Ridge, TN 37831 USA. [Salinger, Andrew G.] Sandia Natl Labs, Ctr Res Comp, Livermore, CA 94550 USA. [Price, Stephen F.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling COSIM Grp, Los Alamos, NM 87545 USA. [Lipscomb, William H.] Los Alamos Natl Lab, COSIM Grp, Los Alamos, NM 87545 USA. [White, James B., III] Natl Ctr Atmospher Res, Climate Change Predict Grp, Boulder, CO USA. [Edwards, James] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO USA. [Perego, Mauro] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. [Lemieux, Jean-Francois] NYU, New York, NY 10003 USA. RP Evans, KJ (reprint author), Oak Ridge Natl Lab, Computat Earth Sci Grp, 1 Bethel Valley Rd,POB 2008,MS 6301, Oak Ridge, TN 37831 USA. EM evanskj@ornl.gov RI Price, Stephen /E-1568-2013; OI Price, Stephen /0000-0001-6878-2553; Evans, Katherine/0000-0001-8174-6450 FU US DOE Office of Science Advanced Scientific Computing Research through the SEACISM; Los Alamos National Laboratory (LANL); National Science Foundation (NSF) [AGS-0856145]; National Nuclear Security Administration (NNSA) of the DOE [DE-AC52-06NA25396]; Office of Science of the DOE [DE-AC05-00OR22725]; US Department of Energy's NNSA [DE-AC04-94AL85000] FX This work was supported by Scientific Discovery for Advanced Computing (SciDAC) grants from the US DOE Office of Science Advanced Scientific Computing Research through the SEACISM project within the Ice Sheet Initiative for Climate Extremes and Biological and Environmental Research through the SEESM project, and by a Los Alamos National Laboratory (LANL) Director's Fellowship. Support has also been provided by the National Science Foundation (NSF) (grant AGS-0856145). The LANL is operated under the auspices of the National Nuclear Security Administration (NNSA) of the DOE under Contract No. DE-AC52-06NA25396. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the DOE under Contract No. DE-AC05-00OR22725. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's NNSA under contract DE-AC04-94AL85000. NR 17 TC 6 Z9 6 U1 0 U2 15 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 EI 1741-2846 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 54 EP 62 DI 10.1177/1094342011435159 PG 9 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500006 ER PT J AU Lauritzen, PH Mirin, AA Truesdale, J Raeder, K Anderson, JL Bacmeister, J Neale, RB AF Lauritzen, Peter H. Mirin, Arthur A. Truesdale, John Raeder, Kevin Anderson, Jeffrey L. Bacmeister, Julio Neale, Richard B. TI Implementation of new diffusion/filtering operators in the CAM-FV dynamical core SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE data assimilation; divergence damping; finite volume; high-resolution climate simulation; Laplacian damping ID DATA ASSIMILATION; KALMAN FILTER; SCHEMES; MODEL AB Two new filtering/diffusion operators have been implemented in the Community Atmosphere Model finite-volume dynamical core (CAM-FV). First, a fourth-order divergence damping operator has been added to optionally replace the second-order version that has traditionally been used. This provides more scale selective dissipation of divergent modes that can generate grid-scale noise in CAM-FV if not damped properly. For example, data assimilation runs using CAM-FV DART (Data Assimilation Research Testbed) have revealed potential noise problems at the grid scale that can be alleviated significantly using higher-order divergence damping. Second, a 'Laplacian'-type damping operator has been implemented to increase the explicit momentum dissipation in the top-of-atmosphere sponge layers. This helps control the excessive polar night jets that have been observed in ultra-high-resolution CAM-FV simulations. Results from stand-alone CAM-FV and CAM-FV DART are presented in this paper along with details on the implementation of the new operators. C1 [Lauritzen, Peter H.; Neale, Richard B.] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Atmospher Modeling & Predictabil Sect, Boulder, CO 80305 USA. [Mirin, Arthur A.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Sci Comp Grp, Livermore, CA USA. [Raeder, Kevin; Anderson, Jeffrey L.] Natl Ctr Atmospher Res, Inst Math Appl Geosci, Boulder, CO 80305 USA. RP Lauritzen, PH (reprint author), Natl Ctr Atmospher Res, Climate & Global Dynam Div, Atmospher Modeling & Predictabil Sect, 1850 Table Mesa Dr, Boulder, CO 80305 USA. EM pel@ucar.edu FU National Science Foundation; U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX The National Center for Atmospheric Research is sponsored by the National Science Foundation. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. Computer time on Livermore Computing's Atlas machine was provided under LLNL's Multiprogrammatic and Institutional Computing Initiative. Computing for DART experiments was provided by NSF's Climate Simulation Laboratory. NR 15 TC 12 Z9 13 U1 0 U2 6 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 63 EP 73 DI 10.1177/1094342011410088 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500007 ER PT J AU Dennis, JM Edwards, J Evans, KJ Guba, O Lauritzen, PH Mirin, AA St-Cyr, A Taylor, MA Worley, PH AF Dennis, John M. Edwards, Jim Evans, Katherine J. Guba, Oksana Lauritzen, Peter H. Mirin, Arthur A. St-Cyr, Amik Taylor, Mark A. Worley, Patrick H. TI CAM-SE: A scalable spectral element dynamical core for the Community Atmosphere Model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE atmospheric modeling; dynamical core; global circulation model; parallel scalability; spectral elements ID SHALLOW-WATER MODEL; PRIMITIVE EQUATIONS; STANDARD TEST; PERFORMANCE; GRIDS; PARAMETERIZATIONS; RESOLUTION; PLATFORM; VERSION; SCHEME AB The Community Atmosphere Model (CAM) version 5 includes a spectral element dynamical core option from NCAR's High-Order Method Modeling Environment. It is a continuous Galerkin spectral finite-element method designed for fully unstructured quadrilateral meshes. The current configurations in CAM are based on the cubed-sphere grid. The main motivation for including a spectral element dynamical core is to improve the scalability of CAM by allowing quasi-uniform grids for the sphere that do not require polar filters. In addition, the approach provides other state-of-the-art capabilities such as improved conservation properties. Spectral elements are used for the horizontal discretization, while most other aspects of the dynamical core are a hybrid of well-tested techniques from CAM's finite volume and global spectral dynamical core options. Here we first give an overview of the spectral element dynamical core as used in CAM. We then give scalability and performance results from CAM running with three different dynamical core options within the Community Earth System Model, using a pre-industrial time-slice configuration. We focus on high-resolution simulations, using 1/4 degree, 1/8 degree, and T341 spectral truncation horizontal grids. C1 [Taylor, Mark A.] Sandia Natl Labs, Computat Comp Informat & Math Ctr, Albuquerque, NM 87185 USA. [Lauritzen, Peter H.] Natl Ctr Atmospher Res, Atmospher Modeling & Predictabil Grp, Boulder, CO 80307 USA. [Evans, Katherine J.] Oak Ridge Natl Lab, Computat Earth Sci Grp, Oak Ridge, TN USA. [Worley, Patrick H.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. [Mirin, Arthur A.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Sci Comp Grp, Livermore, CA USA. [St-Cyr, Amik] Royal Dutch Shell, Houston, TX USA. RP Taylor, MA (reprint author), Sandia Natl Labs, Computat Comp Informat & Math Ctr, POB 5800, Albuquerque, NM 87185 USA. EM mataylo@sandia.gov OI Evans, Katherine/0000-0001-8174-6450 FU U.S. Government [DE-AC05-00OR22725, DE-AC52-07NA27344]; National Science Foundation; DOE BER SciDAC [06-13194]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Climate and Environmental Sciences Division of the Office of Biological and Environmental Research in the Office of Science, U.S. Department of Energy [DE-AC05-00OR22725]; Office of Advanced Scientific Computing Research, in the Office of Science, U.S. Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725, DE-AC02-06CH11357] FX We thank Jamison Daniel at Oak Ridge National Laboratory for producing Figure 8. As this work has been co-authored by contractors of the U.S. Government under contracts No. DE-AC05-00OR22725 and No. DE-AC52-07NA27344, 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. The National Center for Atmospheric Research is sponsored by the National Science Foundation.; This work was supported by the DOE BER SciDAC 06-13194, A Scalable and Extensible Earth System Model. Work by AAM was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Work by PHW and KJE was sponsored by the Climate and Environmental Sciences Division of the Office of Biological and Environmental Research and by the Office of Advanced Scientific Computing Research, both in the Office of Science, U.S. Department of Energy, under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. 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 and the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 59 TC 86 Z9 88 U1 3 U2 21 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 74 EP 89 DI 10.1177/1094342011428142 PG 16 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500008 ER PT J AU He, ZL Piceno, Y Deng, Y Xu, MY Lu, ZM DeSantis, T Andersen, G Hobbie, SE Reich, PB Zhou, JZ AF He, Zhili Piceno, Yvette Deng, Ye Xu, Meiying Lu, Zhenmei DeSantis, Todd Andersen, Gary Hobbie, Sarah E. Reich, Peter B. Zhou, Jizhong TI The phylogenetic composition and structure of soil microbial communities shifts in response to elevated carbon dioxide SO ISME JOURNAL LA English DT Article DE soil microbial community; PhyloChip; elevated CO2; microbial composition; microbial community structure ID 16S RIBOSOMAL-RNA; RISING ATMOSPHERIC CO2; BACTERIAL DIVERSITY; NITROGEN LIMITATION; PLANT DIVERSITY; CLIMATE-CHANGE; CLONE LIBRARY; ECOSYSTEM RESPONSES; FOREST ECOSYSTEM; ANALYSIS REVEALS AB One of the major factors associated with global change is the ever-increasing concentration of atmospheric CO2. Although the stimulating effects of elevated CO2 (eCO(2)) on plant growth and primary productivity have been established, its impacts on the diversity and function of soil microbial communities are poorly understood. In this study, phylogenetic microarrays (PhyloChip) were used to comprehensively survey the richness, composition and structure of soil microbial communities in a grassland experiment subjected to two CO2 conditions (ambient, 368 p. p. m., versus elevated, 560 p. p. m.) for 10 years. The richness based on the detected number of operational taxonomic units (OTUs) significantly decreased under eCO(2). PhyloChip detected 2269 OTUs derived from 45 phyla (including two from Archaea), 55 classes, 99 orders, 164 families and 190 subfamilies. Also, the signal intensity of five phyla (Crenarchaeota, Chloroflexi, OP10, OP9/JS1, Verrucomicrobia) significantly decreased at eCO(2), and such significant effects of eCO(2) on microbial composition were also observed at the class or lower taxonomic levels for most abundant phyla, such as Proteobacteria, Firmicutes, Actinobacteria, Bacteroidetes and Acidobacteria, suggesting a shift in microbial community composition at eCO(2). Additionally, statistical analyses showed that the overall taxonomic structure of soil microbial communities was altered at eCO(2). Mantel tests indicated that such changes in species richness, composition and structure of soil microbial communities were closely correlated with soil and plant properties. This study provides insights into our understanding of shifts in the richness, composition and structure of soil microbial communities under eCO(2) and environmental factors shaping the microbial community structure. The ISME Journal (2012) 6, 259-272; doi: 10.1038/ismej.2011.99; published online 28 July 2011 C1 [He, Zhili; Deng, Ye; Xu, Meiying; Lu, Zhenmei; Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. [Piceno, Yvette; DeSantis, Todd; Andersen, Gary; Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Ecol, Berkeley, CA 94720 USA. [Xu, Meiying] Guangdong Inst Microbiol, Guangdong Prov Key Lab Microbial Culture Collect, Guangzhou, Guangdong, Peoples R China. [Lu, Zhenmei] Zhejiang Univ, Coll Life Sci, Hangzhou 310003, Zhejiang, Peoples R China. [Hobbie, Sarah E.] Dept Ecol Evolut & Behav, St Paul, MN USA. [Reich, Peter B.] Univ Minnesota, Dept Forest Resources, St Paul, MN USA. RP Zhou, JZ (reprint author), Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. EM jzhou@ou.edu RI Deng, Ye/A-2571-2013; He, Zhili/C-2879-2012; Piceno, Yvette/I-6738-2016; Andersen, Gary/G-2792-2015; OI Piceno, Yvette/0000-0002-7915-4699; Andersen, Gary/0000-0002-1618-9827; ?, ?/0000-0002-7584-0632; Hobbie, Sarah/0000-0001-5159-031X FU United States Department of Agriculture through the NSF-USDA [2007-35319-18305]; National Science Foundation [DEB-0716587, DEB-0620652, DEB-0322057, DEB-0080382, DEB-0218039, DEB-0219104, DEB-0217631, LTREB DEB-0716587, LTER DEB-9411972]; DOE; Minnesota Environment and Natural Resources Trust [DE-FG96ER2291]; DOE through the University of California [DE-AC02-05CH11231]; DOE through Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; NIH [U01-HG004866] FX This work was supported by the United States Department of Agriculture (Project 2007-35319-18305) through the NSF-USDA Microbial Observatories Program; the National Science Foundation under DEB-0716587, DEB-0620652, DEB-0322057, DEB-0080382, DEB-0218039, DEB-0219104, DEB-0217631, DEB-0716587, LTREB DEB-0716587 and LTER DEB-9411972 projects; the DOE Program for Ecosystem Research; the Minnesota Environment and Natural Resources Trust Fund (DE-FG96ER2291) and the DOE under contract DE-AC02-05CH11231 through the University of California and Lawrence Berkeley National Laboratory; and by NIH Grant U01-HG004866. NR 91 TC 37 Z9 44 U1 4 U2 81 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 FEB PY 2012 VL 6 IS 2 BP 259 EP 272 DI 10.1038/ismej.2011.99 PG 14 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 901RJ UT WOS:000300984200005 PM 21796217 ER PT J AU Gilbert, JA Steele, JA Caporaso, JG Steinbrueck, L Reeder, J Temperton, B Huse, S McHardy, AC Knight, R Joint, I Somerfield, P Fuhrman, JA Field, D AF Gilbert, Jack A. Steele, Joshua A. Caporaso, J. Gregory Steinbrueck, Lars Reeder, Jens Temperton, Ben Huse, Susan McHardy, Alice C. Knight, Rob Joint, Ian Somerfield, Paul Fuhrman, Jed A. Field, Dawn TI Defining seasonal marine microbial community dynamics SO ISME JOURNAL LA English DT Article DE 16S rRNA; microbial; bacteria; community; diversity; model ID RIBOSOMAL-RNA SEQUENCES; WESTERN ENGLISH-CHANNEL; BACTERIAL COMMUNITIES; RARE BIOSPHERE; DIVERSITY; TEMPERATURE; ATLANTIC; TAXONOMY; DATABASE; PACIFIC AB Here we describe, the longest microbial time-series analyzed to date using high-resolution 16S rRNA tag pyrosequencing of samples taken monthly over 6 years at a temperate marine coastal site off Plymouth, UK. Data treatment effected the estimation of community richness over a 6-year period, whereby 8794 operational taxonomic units (OTUs) were identified using single-linkage preclustering and 21 130 OTUs were identified by denoising the data. The Alphaproteobacteria were the most abundant Class, and the most frequently recorded OTUs were members of the Rickettsiales (SAR 11) and Rhodobacteriales. This near-surface ocean bacterial community showed strong repeatable seasonal patterns, which were defined by winter peaks in diversity across all years. Environmental variables explained far more variation in seasonally predictable bacteria than did data on protists or metazoan biomass. Change in day length alone explains >65% of the variance in community diversity. The results suggested that seasonal changes in environmental variables are more important than trophic interactions. Interestingly, microbial association network analysis showed that correlations in abundance were stronger within bacterial taxa rather than between bacteria and eukaryotes, or between bacteria and environmental variables. The ISME Journal (2012) 6, 298-308; doi: 10.1038/ismej.2011.107; published online 18 August 2011 C1 [Gilbert, Jack A.] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [Gilbert, Jack A.; Temperton, Ben; Joint, Ian; Somerfield, Paul] Plymouth Marine Lab, Plymouth, Devon, England. [Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Steele, Joshua A.; Fuhrman, Jed A.] Univ So Calif, Dept Biol Sci, Los Angeles, CA 90089 USA. [Caporaso, J. Gregory; Reeder, Jens; Knight, Rob] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Steinbrueck, Lars; McHardy, Alice C.] Univ Dusseldorf, Dept Algorithm Bioinformat, D-40225 Dusseldorf, Germany. [Huse, Susan] Marine Biol Lab, Josephine Bay Paul Ctr Comparat Mol Biol & Evolut, Woods Hole, MA USA. [McHardy, Alice C.] Max Planck Res Grp Computat Genom & Epidemiol, Max Planck Inst Informat, Saarbrucken, Germany. [Knight, Rob] Univ Colorado, Howard Hughes Med Inst, Boulder, CO 80309 USA. [Field, Dawn] NERC Ctr Ecol & Hydrol, Wallingford, Oxon, England. RP Gilbert, JA (reprint author), Argonne Natl Lab, Inst Genom & Syst Biol, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gilbertjack@anl.gov RI Fuhrman, Jed/C-6461-2013; Somerfield, Paul/J-9189-2014; Knight, Rob/D-1299-2010; OI Somerfield, Paul/0000-0002-7581-5621; Steele, Joshua/0000-0001-8023-8956 FU US Deptartment of Energy [DE-AC02-06CH11357]; NSF [0703159]; Sloan Foundation (ICoMM) FX We would like to thank Dr KR Clarke for providing extensive expertize in statistical modelling, and Margaret Hughes for providing the pyrosequencing technical support. All sequencing data and environmental metadata can be found in the INSDC SRA under ERP000118 (http://www.ebi.ac.uk/ena/data/view/ERP000118). This work was supported in part by the US Deptartment of Energy under Contract DE-AC02-06CH11357. JAF and JAS were supported by NSF Grant 0703159 and JAS and SH by the Sloan Foundation (ICoMM). NR 27 TC 251 Z9 259 U1 11 U2 216 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD FEB PY 2012 VL 6 IS 2 BP 298 EP 308 DI 10.1038/ismej.2011.107 PG 11 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 901RJ UT WOS:000300984200008 PM 21850055 ER PT J AU Trivedi, P He, ZL Van Nostrand, JD Albrigo, G Zhou, JZ Wang, N AF Trivedi, Pankaj He, Zhili Van Nostrand, Joy D. Albrigo, Gene Zhou, Jizhong Wang, Nian TI Huanglongbing alters the structure and functional diversity of microbial communities associated with citrus rhizosphere SO ISME JOURNAL LA English DT Article DE Candidatus Liberibacter asiaticus; ecosystem functioning; GeoChip 3.0; huanglongbing; microbial diversity; nutrient cycling ID BACTERIAL COMMUNITIES; DIAZOTROPH COMMUNITY; MICROARRAY ANALYSES; FUNGAL DIVERSITY; ANALYSIS REVEALS; SOIL; DISEASE; PLANTS; ROOTS; RHIZODEPOSITS AB The diversity and stability of bacterial communities present in the rhizosphere heavily influence soil and plant quality and ecosystem sustainability. The goal of this study is to understand how 'Candidatus Liberibacter asiaticus' (known to cause Huanglongbing, HLB) influences the structure and functional potential of microbial communities associated with the citrus rhizosphere. Clone library sequencing and taxon/group-specific quantitative real-time PCR results showed that 'Ca. L. asiaticus' infection restructured the native microbial community associated with citrus rhizosphere. Within the bacterial community, phylum Proteobacteria with various genera typically known as successful rhizosphere colonizers were significantly greater in clone libraries from healthy samples, whereas phylum Acidobacteria, Actinobacteria and Firmicutes, typically more dominant in the bulk soil were higher in 'Ca. L. asiaticus'-infected samples. A comprehensive functional microarray GeoChip 3.0 was used to determine the effects of 'Ca. L. asiaticus' infection on the functional diversity of rhizosphere microbial communities. GeoChip analysis showed that HLB disease has significant effects on various functional guilds of bacteria. Many genes involved in key ecological processes such as nitrogen cycling, carbon fixation, phosphorus utilization, metal homeostasis and resistance were significantly greater in healthy than in the 'Ca. L. asiaticus'-infected citrus rhizosphere. Our results showed that the microbial community of the 'Ca. L. asiaticus'-infected citrus rhizosphere has shifted away from using more easily degraded sources of carbon to the more recalcitrant forms. Overall, our study provides evidence that the change in plant physiology mediated by 'Ca. L. asiaticus' infection could elicit shifts in the composition and functional potential of rhizosphere microbial communities. In the long term, these fluctuations might have important implications for the productivity and sustainability of citrus-producing agro-ecosystems. The ISME Journal (2012) 6, 363-383; doi: 10.1038/ismej.2011.100; published online 28 July 2011 C1 [Trivedi, Pankaj; Wang, Nian] Univ Florida, Ctr Citrus Res & Educ, Dept Microbiol & Cell Sci, Lake Alfred, FL 33850 USA. [He, Zhili; Van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. [He, Zhili; Van Nostrand, Joy D.; Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Albrigo, Gene] Univ Florida, Ctr Citrus Res & Educ, Dept Hort Sci, Lake Alfred, FL USA. RP Wang, N (reprint author), Univ Florida, Ctr Citrus Res & Educ, Dept Microbiol & Cell Sci, 700 Expt Stn Rd, Lake Alfred, FL 33850 USA. EM nianwang@crec.ifas.ufl.edu RI Jia, Li/F-6928-2012; He, Zhili/C-2879-2012; Van Nostrand, Joy/F-1740-2016 OI Van Nostrand, Joy/0000-0001-9548-6450 FU United States Department of Agriculture through NSF-USDA [2007-35319-18305] FX This study was partially supported by the United States Department of Agriculture (Project 2007-35319-18305) through NSF-USDA Microbial Observatories Program. NR 82 TC 36 Z9 41 U1 11 U2 75 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 FEB PY 2012 VL 6 IS 2 BP 363 EP 383 DI 10.1038/ismej.2011.100 PG 21 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 901RJ UT WOS:000300984200014 PM 21796220 ER PT J AU Men, YJ Feil, H VerBerkmoes, NC Shah, MB Johnson, DR Lee, PKH West, KA Zinder, SH Andersen, GL Alvarez-Cohen, L AF Men, Yujie Feil, Helene VerBerkmoes, Nathan C. Shah, Manesh B. Johnson, David R. Lee, Patrick K. H. West, Kimberlee A. Zinder, Stephen H. Andersen, Gary L. Alvarez-Cohen, Lisa TI Sustainable syntrophic growth of Dehalococcoides ethenogenes strain 195 with Desulfovibrio vulgaris Hildenborough and Methanobacterium congolense: global transcriptomic and proteomic analyses SO ISME JOURNAL LA English DT Article DE Dehalococcoides; syntrophy; chlorinated ethenes; microarray; proteomics; bioremediation ID ANAEROBIC ENRICHMENT CULTURE; REDUCTIVE DECHLORINATION; VINYL-CHLORIDE; METHANOGENIC CONDITIONS; METHANOSARCINA-BARKERI; MICROARRAY ANALYSIS; FRAPPIERI TCE1; MIXED CULTURE; TETRACHLOROETHENE; HYDROGEN AB Dehalococcoides ethenogenes strain 195 (DE195) was grown in a sustainable syntrophic association with Desulfovibrio vulgaris Hildenborough (DVH) as a co-culture, as well as with DVH and the hydrogenotrophic methanogen Methanobacterium congolense (MC) as a tri-culture using lactate as the sole energy and carbon source. In the co- and tri-cultures, maximum dechlorination rates of DE195 were enhanced by approximately three times (11.0 +/- 0.01 mu mol per day for the co-culture and 10.1 +/- 0.3 mu mol per day for the tri-culture) compared with DE195 grown alone (3.8 +/- 0.1 mu mol per day). Cell yield of DE195 was enhanced in the co-culture (9.0 +/- 0.5 x 10(7) cells per mu mol Cl- released, compared with 6.8 +/- 0.9 x 10(7) cells per mu mol Cl- released for the pure culture), whereas no further enhancement was observed in the tri-culture (7.3 +/- 1.8 x 10(7) cells per mu mol Cl- released). The transcriptome of DE195 grown in the co-culture was analyzed using a whole-genome microarray targeting DE195, which detected 102 significantly up-or down-regulated genes compared with DE195 grown in isolation, whereas no significant transcriptomic difference was observed between co-and tri-cultures. Proteomic analysis showed that 120 proteins were differentially expressed in the co-culture compared with DE195 grown in isolation. Physiological, transcriptomic and proteomic results indicate that the robust growth of DE195 in co-and tri-cultures is because of the advantages associated with the capabilities of DVH to ferment lactate to provide H-2 and acetate for growth, along with potential benefits from proton translocation, cobalamin-salvaging and amino acid biosynthesis, whereas MC in the tri-culture provided no significant additional benefits beyond those of DVH. The ISME Journal (2012) 6, 410-421; doi: 10.1038/ismej. 2011.111; published online 1 September 2011 C1 [Men, Yujie; Feil, Helene; Johnson, David R.; Lee, Patrick K. H.; West, Kimberlee A.; Alvarez-Cohen, Lisa] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [VerBerkmoes, Nathan C.; Shah, Manesh B.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. [Zinder, Stephen H.] Cornell Univ, Dept Microbiol, Ithaca, NY USA. [Andersen, Gary L.; Alvarez-Cohen, Lisa] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Johnson, David R.] Swiss Fed Inst Aquat Sci & Technol Eawag, Dept Environm Microbiol, CH-8600 Dubendorf, Switzerland. RP Alvarez-Cohen, L (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, 760 Davis Hall, Berkeley, CA 94720 USA. EM alvarez@ce.berkeley.edu RI Andersen, Gary/G-2792-2015; Lee, Patrick K H/L-1844-2016 OI Andersen, Gary/0000-0002-1618-9827; Lee, Patrick K H/0000-0003-0911-5317 NR 49 TC 27 Z9 27 U1 8 U2 53 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD FEB PY 2012 VL 6 IS 2 BP 410 EP 421 DI 10.1038/ismej.2011.111 PG 12 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 901RJ UT WOS:000300984200017 PM 21881617 ER PT J AU Lu, ZM Deng, Y Van Nostrand, JD He, ZL Voordeckers, J Zhou, AF Lee, YJ Mason, OU Dubinsky, EA Chavarria, KL Tom, LM Fortney, JL Lamendella, R Jansson, JK D'haeseleer, P Hazen, TC Zhou, JZ AF Lu, Zhenmei Deng, Ye Van Nostrand, Joy D. He, Zhili Voordeckers, James Zhou, Aifen Lee, Yong-Jin Mason, Olivia U. Dubinsky, Eric A. Chavarria, Krystle L. Tom, Lauren M. Fortney, Julian L. Lamendella, Regina Jansson, Janet K. D'haeseleer, Patrik Hazen, Terry C. Zhou, Jizhong TI Microbial gene functions enriched in the Deepwater Horizon deep-sea oil plume SO ISME JOURNAL LA English DT Article DE oil spill; deep-sea plume; microbial community; metagenomics; functional gene arrays; GeoChip ID PETROLEUM RESERVOIRS; BIODEGRADATION; SUBSURFACE; BACTERIA; DEGRADATION; SPILL; MICROORGANISMS; HYDROCARBONS; POLLUTANTS; IRON AB The Deepwater Horizon oil spill in the Gulf of Mexico is the deepest and largest offshore spill in the United State history and its impacts on marine ecosystems are largely unknown. Here, we showed that the microbial community functional composition and structure were dramatically altered in a deep-sea oil plume resulting from the spill. A variety of metabolic genes involved in both aerobic and anaerobic hydrocarbon degradation were highly enriched in the plume compared with outside the plume, indicating a great potential for intrinsic bioremediation or natural attenuation in the deep sea. Various other microbial functional genes that are relevant to carbon, nitrogen, phosphorus, sulfur and iron cycling, metal resistance and bacteriophage replication were also enriched in the plume. Together, these results suggest that the indigenous marine microbial communities could have a significant role in biodegradation of oil spills in deep-sea environments. The ISME Journal (2012) 6, 451-460; doi: 10.1038/ismej.2011.91; published online 4 August 2011 C1 [Lu, Zhenmei; Deng, Ye; Van Nostrand, Joy D.; He, Zhili; Voordeckers, James; Zhou, Aifen; Lee, Yong-Jin; Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. [Lu, Zhenmei] Zhejiang Univ, Coll Life Sci, Hangzhou 310003, Zhejiang, Peoples R China. [Mason, Olivia U.; Dubinsky, Eric A.; Chavarria, Krystle L.; Tom, Lauren M.; Fortney, Julian L.; Lamendella, Regina; Jansson, Janet K.; D'haeseleer, Patrik; Hazen, Terry C.; Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China. RP Zhou, JZ (reprint author), Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. EM jzhou@ou.edu RI Deng, Ye/A-2571-2013; He, Zhili/C-2879-2012; Dubinsky, Eric/D-3787-2015; Tom, Lauren/E-9739-2015; Van Nostrand, Joy/F-1740-2016; Hazen, Terry/C-1076-2012; OI Dubinsky, Eric/0000-0002-9420-6661; Van Nostrand, Joy/0000-0001-9548-6450; Hazen, Terry/0000-0002-2536-9993; D'haeseleer, Patrik/0000-0003-0007-8150; ?, ?/0000-0002-7584-0632 FU US Department of Energy, Office of Science, Office of Biological and Environmental Research, Genomics [DE-AC02-05CH11231]; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; US Department of Energy [DE-AC02-05CH11231]; University of Oklahoma Research Foundation; National Key Science and Technology Project of China: Water Pollution Control and Treatment [2008ZX07101-006]; Natural Science Foundation of Zhejiang Province [R5080124]; National Key Technologies Research and Development Program of China [2006BAJ08B01] FX We thank the Captain, crew and science teams aboard the R/V Ocean Veritas and R/V Brooks McCall. This work was part of ENIGMA, a Scientific Focus Area Program supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, Genomics: GTL Foundational Science through Contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the US Department of Energy. This study was also supported by University of Oklahoma Research Foundation, the National Key Science and Technology Project of China: Water Pollution Control and Treatment (No. 2008ZX07101-006), the Natural Science Foundation of Zhejiang Province (No. R5080124) and the National Key Technologies Research and Development Program of China during the 11th Five-Year Plan Period (No. 2006BAJ08B01). NR 36 TC 109 Z9 114 U1 20 U2 197 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 FEB PY 2012 VL 6 IS 2 BP 451 EP 460 DI 10.1038/ismej.2011.91 PG 10 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 901RJ UT WOS:000300984200021 PM 21814288 ER PT J AU Musaev, OR Sutter, EA Wrobel, JM Kruger, MB AF Musaev, Omar R. Sutter, Eli A. Wrobel, Jerzy M. Kruger, Michael B. TI Au, Ge, and AuGe nanoparticles fabricated by laser ablation SO JOURNAL OF NANOPARTICLE RESEARCH LA English DT Article DE Laser ablation; Nanoparticles; AuGe alloy; Phase explosion; Electron microscopy ID GOLD NANOPARTICLES; AQUEOUS-SOLUTION; PULSED-LASER; WATER; SPECTROSCOPY; SURFACTANT; LIQUIDS; CLUSTER AB A eutectic AuGe target immersed in distilled water was ablated by pulsed ultraviolet laser light. The structure of the ablated material was investigated by high-resolution transmission electron microscopy (HRTEM). The images show formation of nanowire structures of AuGe up to 100 nm in length, with widths of 5-10 nm. These nanostructures have Ge content significantly lower than the target material. Electron diffraction demonstrates that they crystallize in the alpha-AuGe structure. For comparison, laser ablation of pure Au and pure Ge targets was also performed under the same conditions. HRTEM shows that Ge forms spherical nanoparticles with a characteristic size of similar to 30 nm. Au forms spherical nanoparticles with diameters of similar to 10 nm. Similar to AuGe, it also forms chainlike structures with substantially lower aspect ratio. C1 [Musaev, Omar R.; Wrobel, Jerzy M.; Kruger, Michael B.] Univ Missouri, Dept Phys, Kansas City, MO 64110 USA. [Sutter, Eli A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Musaev, OR (reprint author), Univ Missouri, Dept Phys, 5100 Rockhill Rd, Kansas City, MO 64110 USA. EM musaevo@umkc.edu; esutter@bnl.gov; wrobelj@umkc.edu; krugerm@umkc.edu FU NSF [DMR-0605493, DMR-0923166]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This study was partially supported by NSF Contract Nos. DMR-0605493 and DMR-0923166. Research carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 33 TC 8 Z9 8 U1 0 U2 22 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1388-0764 J9 J NANOPART RES JI J. Nanopart. Res. PD FEB PY 2012 VL 14 IS 2 AR 654 DI 10.1007/s11051-011-0654-y PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 895RY UT WOS:000300515200003 ER PT J AU Carrascosa, JL Glaeser, RM AF Carrascosa, Jose L. Glaeser, Robert M. TI Focused issue on X-ray microscopy of biological materials SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Editorial Material C1 [Carrascosa, Jose L.] CSIC, Ctr Nacl Biotecnol, Dept Struct Macromol, Madrid 28049, Spain. [Glaeser, Robert M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Carrascosa, JL (reprint author), CSIC, Ctr Nacl Biotecnol, Dept Struct Macromol, Campus Cantoblanco,C Darwin 3, Madrid 28049, Spain. EM jlcarras@cnb.csic.es NR 0 TC 0 Z9 0 U1 1 U2 6 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 J9 J STRUCT BIOL JI J. Struct. Biol. PD FEB PY 2012 VL 177 IS 2 BP 177 EP 178 DI 10.1016/j.jsb.2012.01.007 PG 2 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 898PX UT WOS:000300755400001 PM 22270178 ER PT J AU Hanssen, E Knoechel, C Dearnley, M Dixon, MWA Le Gros, M Larabell, C Tilley, L AF Hanssen, Eric Knoechel, Christian Dearnley, Megan Dixon, Matthew W. A. Le Gros, Mark Larabell, Carolyn Tilley, Leann TI Soft X-ray microscopy analysis of cell volume and hemoglobin content in erythrocytes infected with asexual and sexual stages of Plasmodium falciparum SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article DE Plasmodium; Tomography; X-ray; Hemoglobin; Gametocyte ID RED-BLOOD-CELLS; MALARIA PARASITE; TOMOGRAPHY; GAMETOCYTES; HOST; GAMETOCYTOGENESIS; RESOLUTION; DIGESTION; MEMBRANE; SYNCHRONIZATION AB Plasmodium falciparum, the most virulent agent of human malaria, undergoes both asexual cycling and sexual differentiation inside erythrocytes. As the intraerythrocytic parasite develops it increases in size and alters the permeability of the host cell plasma membrane. An intriguing question is: how is the integrity of the host erythrocyte maintained during the intraerythrocytic cycle? We have used water window cryo X-ray tomography to determine cell morphology and hemoglobin content at different stages of asexual and sexual differentiation. The cryo stabilization preserves native structure permitting accurate analyses of parasite and host cell volumes. Absorption of soft X-rays by protein adheres to Beer-Lambert's law permitting quantitation of the concentration of hemoglobin in the host cell compartment. During asexual development the volume of the parasite reaches about 50% of the uninfected erythrocyte volume but the infected erythrocyte volume remains relatively constant. The total hemoglobin content gradually decreases during the 48 h cycle but its concentration remains constant until early trophozoite stage, decreases by 25%, then remains constant again until just prior to rupture. During early sexual development the gametocyte has a similar morphology to a trophozoite but then undergoes a dramatic shape change. Our cryo X-ray tomography analysis reveals that about 70% of the host cell hemoglobin is taken up and digested during gametocyte development and the parasite eventually occupies about 50% of the uninfected erythrocyte volume. The total volume of the infected erythrocyte remains constant, apart from some reversible shrinkage at stage IV, while the concentration of hemoglobin decreases to about 70% of that in an uninfected erythrocyte. (C) 2011 Elsevier Inc. All rights reserved. C1 [Hanssen, Eric] Univ Melbourne, Electron Microscopy Unit, Mol Sci & Biotechnol Inst Bio21, Melbourne, Vic 3010, Australia. [Hanssen, Eric] Univ Melbourne, Electron Microscopy Unit, Inst Bio21, ARC Ctr Excellence Coherent Xray Sci, Melbourne, Vic 3010, Australia. [Knoechel, Christian; Le Gros, Mark; Larabell, Carolyn] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA. [Dearnley, Megan; Dixon, Matthew W. A.; Tilley, Leann] La Trobe Univ, Dept Biochem, Bundoora, Vic 3086, Australia. [Dearnley, Megan; Dixon, Matthew W. A.; Tilley, Leann] ARC Ctr Excellence Coherent Xray Sci, Bundoora, Vic 3086, Australia. [Dearnley, Megan; Dixon, Matthew W. A.; Tilley, Leann] Univ Melbourne, Dept Biochem & Mol Biol, Mol Sci & Biotechnol Inst Bio21, Melbourne, Vic 3010, Australia. [Larabell, Carolyn] Univ Calif San Francisco, Dept Anat, San Francisco, CA 94143 USA. RP Hanssen, E (reprint author), Univ Melbourne, Electron Microscopy Unit, Inst Bio21, ARC Ctr Excellence Coherent Xray Sci, 30 Flemington Rd, Melbourne, Vic 3010, Australia. EM ehanssen@unimelb.edu.au RI Dixon, Matthew/A-2412-2009; Hanssen, Eric/A-7217-2013 OI Hanssen, Eric/0000-0002-4064-1844 FU Australian Academy of Science; Australian Synchrotron; Australian Research Council; Australian National Health and Medical Research Council; US Department of Energy, Office of Biological and Environmental Research [DE-AC02-05CH11231]; National Center for Research Resources of the National Institutes of Health [RR019664]; US Department of Energy, Office of Science FX The authors acknowledge support from the Australian Academy of Science, the Australian Synchrotron, the Australian Research Council and the Australian National Health and Medical Research Council, the US Department of Energy, Office of Biological and Environmental Research (DE-AC02-05CH11231), the National Center for Research Resources of the National Institutes of Health (RR019664). Use of the Advanced Light Source was supported by the US Department of Energy, Office of Science. We thank Sam Deed and Rosanne Boudreau for technical support and Dr Richard Allen, Australian National University, for useful discussions. NR 57 TC 49 Z9 49 U1 2 U2 24 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 J9 J STRUCT BIOL JI J. Struct. Biol. PD FEB PY 2012 VL 177 IS 2 BP 224 EP 232 DI 10.1016/j.jsb.2011.09.003 PG 9 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 898PX UT WOS:000300755400006 PM 21945653 ER PT J AU Parkinson, DY Knoechel, C Yang, C Larabell, CA Le Gros, MA AF Parkinson, Dilworth Y. Knoechel, Christian Yang, Chao Larabell, Carolyn A. Le Gros, Mark A. TI Automatic alignment and reconstruction of images for soft X-ray tomography SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article DE 3D imaging; Image processing ID FIDUCIAL-LESS ALIGNMENT; MARKER-FREE ALIGNMENT; ELECTRON TOMOGRAPHY; ORIENTATION REFINEMENT; TILT-SERIES; MICROSCOPY; RESOLUTION; PACKAGE; VISUALIZATION; PROTEIN AB Soft X-ray tomography (SXT) is a powerful imaging technique that generates quantitative, 3D images of the structural organization of whole cells in a near-native state. SXT is also a high-throughput imaging technique. At the National Center for X-ray Tomography (NCXT), specimen preparation and image collection for tomographic reconstruction of a whole cell require only minutes. Aligning and reconstructing the data, however, take significantly longer. Here we describe a new component of the high throughput computational pipeline used for processing data at the NCXT. We have developed a new method for automatic alignment of projection images that does not require fiducial markers or manual interaction with the software. This method has been optimized for SXT data sets, which routinely involve full rotation of the specimen. This software gives users of the NCXT SXT instrument a new capability - virtually real-time initial 3D results during an imaging experiment, which can later be further refined. The new code, Automatic Reconstruction 3D (AREC3D), is also fast, reliable, and robust. The fundamental architecture of the code is also adaptable to high performance GPU processing, which enables significant improvements in speed and fidelity. (C) 2011 Elsevier Inc. All rights reserved. C1 [Knoechel, Christian; Larabell, Carolyn A.] Univ Calif San Francisco, Dept Anat, San Francisco, CA 94143 USA. [Parkinson, Dilworth Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Yang, Chao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Larabell, Carolyn A.; Le Gros, Mark A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Larabell, CA (reprint author), Univ Calif San Francisco, Dept Anat, 1550 4th St,Box 2722, San Francisco, CA 94143 USA. EM carolyn.larabell@ucsf.edu RI Parkinson, Dilworth/A-2974-2015 OI Parkinson, Dilworth/0000-0002-1817-0716 FU Department of Energy Office of Biological and Environmental Research [DE-AC02-05CH11231]; NIH National Center for Research Resources [RR019664] FX This work was funded by the Department of Energy Office of Biological and Environmental Research Grant DE-AC02-05CH11231 and the NIH National Center for Research Resources Grant RR019664. NR 41 TC 18 Z9 18 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 1047-8477 J9 J STRUCT BIOL JI J. Struct. Biol. PD FEB PY 2012 VL 177 IS 2 BP 259 EP 266 DI 10.1016/j.jsb.2011.11.027 PG 8 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 898PX UT WOS:000300755400010 PM 22155289 ER PT J AU Ahmed, A Whitford, PC Sanbonmatsu, KY Tama, F AF Ahmed, Aqeel Whitford, Paul C. Sanbonmatsu, Karissa Y. Tama, Florence TI Consensus among flexible fitting approaches improves the interpretation of cryo-EM data SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article DE Flexible fitting; Rigid fitting; X-ray structure; Electron microscopy; Protein Data Bank ID ELECTRON-DENSITY MAPS; NORMAL-MODE CALCULATIONS; REAL-SPACE REFINEMENT; X-RAY CRYSTALLOGRAPHY; CRYOELECTRON MICROSCOPY; LOW-RESOLUTION; MOLECULAR-DYNAMICS; ATOMIC STRUCTURES; ESCHERICHIA-COLI; TRANSFER-RNA AB Cryo-elecron microscopy (cryo-EM) can provide important structural information of large macromolecular assemblies in different conformational states. Recent years have seen an increase in structures deposited in the Protein Data Bank (PDB) by fitting a high-resolution structure into its low-resolution cryo-EM map. A commonly used protocol for accommodating the conformational changes between the X-ray structure and the cryo-EM map is rigid body fitting of individual domains. With the emergence of different flexible fitting approaches, there is a need to compare and revise these different protocols for the fitting. We have applied three diverse automated flexible fitting approaches on a protein dataset for which rigid domain fitting (RDF) models have been deposited in the PDB. In general, a consensus is observed in the conformations, which indicates a convergence from these theoretically different approaches to the most probable solution corresponding to the cryo-EM map. However, the result shows that the convergence might not be observed for proteins with complex conformational changes or with missing densities in cryo-EM map. In contrast, RDF structures deposited in the PDB can represent conformations that not only differ from the consensus obtained by flexible fitting but also from X-ray crystallography. Thus, this study emphasizes that a "consensus" achieved by the use of several automated flexible fitting approaches can provide a higher level of confidence in the modeled configurations. Following this protocol not only increases the confidence level of fitting, but also highlights protein regions with uncertain fitting. Hence, this protocol can lead to better interpretation of cryo-EM data. (C) 2011 Elsevier Inc. All rights reserved. C1 [Ahmed, Aqeel; Tama, Florence] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA. [Whitford, Paul C.; Sanbonmatsu, Karissa Y.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Div Theoret, Los Alamos, NM 87545 USA. RP Tama, F (reprint author), Univ Arizona, Dept Chem & Biochem, 1041 E Lowell St, Tucson, AZ 85721 USA. EM aqeel@email.arizona.edu; whitford@lanl.gov; kys@lanl.gov; ftama@u.arizona.edu RI Tama, Florence/A-7077-2016 OI Tama, Florence/0000-0003-2021-5618 FU National Science Foundation [0744732]; LANL LDRD; NIH [R01GM072686]; LANL FX We thank Dr. Steve Harvey for making the YUP.SCX Program available to us. Financial support from National Science Foundation Grant 0744732 (Molecular Cellular and Biosciences) to F. Tama is greatly appreciated. This work was also supported by the LANL LDRD Program and NIH Grant R01GM072686. P.C. Whitford is funded by a LANL Director's Postdoctoral Fellowship. NR 72 TC 14 Z9 14 U1 0 U2 9 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 J9 J STRUCT BIOL JI J. Struct. Biol. PD FEB PY 2012 VL 177 IS 2 BP 561 EP 570 DI 10.1016/j.jsb.2011.10.002 PG 10 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 898PX UT WOS:000300755400043 PM 22019767 ER PT J AU Wolf, SA Kresin, VZ AF Wolf, S. A. Kresin, V. Z. TI Ordering of Dopants and Potential Increase in T-c to Near-room Temperature SO JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM LA English DT Article DE Cuprate superconductors; Dopants; Near-room temperature Tc ID SUPERCONDUCTIVITY; PRESSURE; STATE AB This paper describes a novel method to increase the resistive T (c) of cuprate superconductors to values approaching room temperature. The method is based on our analysis of the inhomogeneous superconducting state for the "pseudogap" region and on the interplay of doping and pair-breaking phenomena. What we propose involves specific ordering of the dopants that leads to the formation of regions that can carry a supercurrent at high temperatures. C1 [Wolf, S. A.] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Wolf, S. A.] Univ Virginia, Dept Mat Sci & Engn, Charlottesville, VA 22904 USA. [Wolf, S. A.] Off Assistant Secretary Def Res & Engn, Arlington, VA 22203 USA. [Kresin, V. Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Wolf, SA (reprint author), Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. EM saw6b@virginia.edu FU Office of the Assistant Secretary of Defense for Research and Engineering (ASDRE); AFOSR FX The work of SAW is supported by The Office of the Assistant Secretary of Defense for Research and Engineering (ASDRE). The work of VZK is supported by AFOSR. NR 27 TC 3 Z9 3 U1 1 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1557-1939 J9 J SUPERCOND NOV MAGN JI J. Supercond. Nov. Magn PD FEB PY 2012 VL 25 IS 2 BP 165 EP 167 DI 10.1007/s10948-011-1363-6 PG 3 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 899BF UT WOS:000300786300005 ER PT J AU Kresin, VZ Wolf, SA AF Kresin, Vladimir Z. Wolf, Stuart A. TI Inhomogeneous Superconducting State and Intrinsic T-c: Near Room Temperature Superconductivity in the Cuprates SO JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM LA English DT Review DE Pseudogap: Intrinsic critical temperature; Inhomogeneity; Diamagnetism; Percolation ID PSEUDOGAP; BI2SR2CACU2O8+DELTA; PRECURSOR; LOCKING; ARRAYS AB Doped cuprates are inhomogeneous superconductors. The concept of an intrinsic critical temperature, T-intr.(c) equivalent to T-c*, whose value greatly exceeds that for the resistive T-res.(c) equivalent to Tc, is supported by a number of experimental studies, including those performed recently. These data are discussed in this review. The anomalous diamagnetism observed at T-res.(c) < T < T-c* is a manifestation of the presence of superconducting clusters embedded into a normal metallic matrix. The value of intrinsic critical temperature in some cuprates reaches a value which is close to room temperature. The a.c. properties of such inhomogeneous systems are discussed. C1 [Kresin, Vladimir Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wolf, Stuart A.] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Wolf, Stuart A.] Univ Virginia, Dept Mat Sci, Charlottesville, VA 22904 USA. RP Kresin, VZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM vzkresin@lbl.gov NR 36 TC 8 Z9 8 U1 2 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1557-1939 J9 J SUPERCOND NOV MAGN JI J. Supercond. Nov. Magn PD FEB PY 2012 VL 25 IS 2 BP 175 EP 180 DI 10.1007/s10948-011-1308-0 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 899BF UT WOS:000300786300007 ER PT J AU Maity, TS Close, DW Valdez, YE Nowak-Lovato, K Marti-Arbona, R Nguyen, TT Unkefer, PJ Hong-Geller, E Bradbury, ARM Dunbar, J AF Maity, Tuhin Subhra Close, Devin W. Valdez, Yolanda E. Nowak-Lovato, Kristy Marti-Arbona, Ricardo Nguyen, Tinh T. Unkefer, Pat J. Hong-Geller, Elizabeth Bradbury, Andrew R. M. Dunbar, John TI Discovery of DNA operators for TetR and MarR family transcription factors from Burkholderia xenovorans SO MICROBIOLOGY-SGM LA English DT Article ID QUORUM-SENSING REGULATOR; BINDING-SPECIFICITY; TARGET PROMOTERS; IN-VITRO; SEQUENCE; RECOGNITION; MICROARRAYS; EVOLUTION; PROTEIN; IDENTIFICATION AB Determining transcription factor (TF) recognition motifs or operator sites is central to understanding gene regulation, yet few operators have been characterized. In this study, we used a protein-binding microarray (PBM) to discover the DNA recognition sites and putative regulons for three TetR and one MarR family TFs derived from Burkholderia xenovorans, which are common to the genus Burkholderia. We also describe the development and application of a more streamlined version of the PBM technology that significantly reduced the experimental time. Despite the genus containing many pathogenically important species, only a handful of TF operator sites have been experimentally characterized for Burkholderia to date. Our study provides a significant addition to this knowledge base and illustrates some general challenges of discovering operators on a large scale for prokaryotes. C1 [Maity, Tuhin Subhra; Close, Devin W.; Valdez, Yolanda E.; Nowak-Lovato, Kristy; Marti-Arbona, Ricardo; Nguyen, Tinh T.; Unkefer, Pat J.; Hong-Geller, Elizabeth; Bradbury, Andrew R. M.; Dunbar, John] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Maity, TS (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663, Los Alamos, NM 87545 USA. EM tuhin@lanl.gov OI Bradbury, Andrew/0000-0002-5567-8172 FU Los Alamos National Laboratory [DR20090117] FX We sincerely thank Dr Martha Bulyk (Harvard Medical School) for several discussions about the PBM. This work was supported by a grant from the Los Alamos National Laboratory Directed Research program (grant no. DR20090117). NR 31 TC 3 Z9 3 U1 0 U2 7 PU SOC GENERAL MICROBIOLOGY PI READING PA MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND SN 1350-0872 EI 1465-2080 J9 MICROBIOL-SGM JI Microbiology-(UK) PD FEB PY 2012 VL 158 BP 571 EP 582 DI 10.1099/mic.0.055129-0 PN 2 PG 12 WC Microbiology SC Microbiology GA 900CP UT WOS:000300864500026 PM 22117006 ER PT J AU Yoo, J Dang, LS Chon, B Joo, T Yi, GC AF Yoo, Jinkyoung Dang, Le Si Chon, Bonghwan Joo, Taiha Yi, Gyu-Chul TI Exciton Scattering Mechanism in a Single Semiconducting MgZnO Nanorod SO NANO LETTERS LA English DT Article DE Exciton scattering; exciton diffusion; MgZnO; nanorod; quantum structure; cathodoluminescence; time-resolved photoluminescence ID TIME-RESOLVED PHOTOLUMINESCENCE; MOLECULAR-BEAM EPITAXY; QUANTUM-WELLS; DIFFUSION; CDSE; CATHODOLUMINESCENCE; HETEROSTRUCTURES; EMISSION; GAIN AB Excitonic phenomena, such as excitonic absorption and emission, have been used in many photonic and optoelectronic semiconductor device applications. As the sizes of these nanoscale materials have approached to exciton diffusion lengths in semiconductors, a fundamental understanding of exciton transport in semiconductors has become imperative. We present exciton transport in a single MgZnO nanorod in the spatiotemporal regime with several nanometer-scale spatial resolution and several tens of picosecond temporal resolution. This study was performed using temperature-dependent cathodoluminescence and time-resolved photoluminescence spectroscopies. The exciton diffusion length in the MgZnO nanorod decreased from 100 to 70 nm with increasing temperature in the range of S and 80 K The results obtained for the temperature dependence of exciton diffusion length and luminescence lifetime revealed that the dominant exciton scattering mechanism in MgZnO nanorod is exciton-phonon assisted piezoelectric field scattering. C1 [Yoo, Jinkyoung; Yi, Gyu-Chul] Seoul Natl Univ, Ctr Semicond Nanorods, Natl Creat Res Initiat, Seoul 151747, South Korea. [Yoo, Jinkyoung; Yi, Gyu-Chul] Seoul Natl Univ, Dept Phys & Astron, Seoul 151747, South Korea. [Yoo, Jinkyoung] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Dang, Le Si] CNRS, Inst Neel, F-38042 Grenoble, France. [Dang, Le Si] Univ Grenoble 1, F-38042 Grenoble, France. [Chon, Bonghwan; Joo, Taiha] POSTECH, Dept Chem, Pohang 790784, Gyeongbuk, South Korea. RP Yoo, J (reprint author), Seoul Natl Univ, Ctr Semicond Nanorods, Natl Creat Res Initiat, Seoul 151747, South Korea. EM jyoo@lanl.gov; gcyi@snu.ac.kr RI Yi, Gyu-Chul/F-1326-2011; Yoo, Jinkyoung/B-5291-2008; Joo, Taiha/C-4495-2008 OI Yoo, Jinkyoung/0000-0002-9578-6979; FU National Research Foundations (NRF) of Korea [R16-2004-004-01001-0]; Korea Foundation for International Cooperation of Science and Technology; LIA CNRS-KIST Center for Photonics and Nanostructures; National Research Foundation of Korea (NRF); Korean government (MEST) [2011-0001215] FX This work was financially supported by the National Creative Research Initiative Project (R16-2004-004-01001-0) of the National Research Foundations (NRF) of Korea. G.Y. and L.D. also acknowledge partial support by the Korea Foundation for International Cooperation of Science and Technology and the LIA CNRS-KIST Center for Photonics and Nanostructures. T.J. acknowledges the support of the National Research Foundation of Korea (NRF) grant funded by the Korean government (MEST) (2011-0001215). NR 28 TC 7 Z9 7 U1 4 U2 41 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 556 EP 561 DI 10.1021/nl202626y PG 6 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 887XW UT WOS:000299967800006 PM 22214177 ER PT J AU Teprovich, JA Wellons, MS Lascola, R Hwang, SJ Ward, PA Compton, RN Zidan, R AF Teprovich, Joseph A., Jr. Wellons, Matthew S. Lascola, Robert Hwang, Son-Jong Ward, Patrick A. Compton, Robert N. Zidan, Ragaiy TI Synthesis and Characterization of a Lithium-Doped Fullerane (Li-x-C-60-H-y) for Reversible Hydrogen Storage SO NANO LETTERS LA English DT Article DE Hydrogen storage; metal hydride; fullerene; fullerane; metal-doped C-60 ID INTERCALATION COMPOUNDS; THERMAL-DECOMPOSITION; C-60; FULLERENES; C60H36; PRESSURE; HYDRIDE; RAMAN; GAS; FRAGMENTATION AB Herein, we present a lithium-doped fullerane (Li-x-C-60-H-y) that is capable of reversibly storing hydrogen through chemisorption at elevated temperatures and pressures. This system is unique in that hydrogen is closely associated with lithium and carbon upon rehydrogenation of the material and that the weight percent of H-2 stored in the material is intimately linked to the stoichiometric ratio of Li:C-60 in the material. Characterization of the material (IR, Raman, UV-vis, XRD, LDI-TOF-MS, and NMR) indicates that a lithium-doped fullerane is formed upon rehydrogenation in which the active hydrogen storage material is similar to a hydrogenated fullerene. Under optimized conditions, a lithium-doped fullerane with a Li:C-60 mole ratio of 6:1 can reversibly desorb up to 5 wt % H-2 with an onset temperature of similar to 270 degrees C, which is significantly less than the desorption temperature of hydrogenated fullerenes (C60Hx) and pure lithium hydride (decomposition temperature 500-600 and 670 degrees C respectively). However, our Li-x-C-60-H-y system does not suffer from the same drawbacks as typical hydrogenated fullerenes (high desorption T and release of hydrocarbons) because the fullerene cage remains mostly intact and is only slightly modified during multiple hydrogen desorption/absorption cycles. We also observed a reversible phase transition of C-60 in the material from face-centered cubic to body-centered cubic at high levels of hydrogenation. C1 [Teprovich, Joseph A., Jr.; Wellons, Matthew S.; Lascola, Robert; Zidan, Ragaiy] Savannah River Natl Lab, Clean Energy Directorate, Aiken, SC 29808 USA. [Hwang, Son-Jong] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Ward, Patrick A.; Compton, Robert N.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Zidan, R (reprint author), Savannah River Natl Lab, Clean Energy Directorate, POB A, Aiken, SC 29808 USA. EM Ragaiy.Zidan@srnl.doe.gov OI Lascola, Robert/0000-0002-6784-5644 FU U.S. DOE, Office of Basic Energy Science; National Science Foundation (NSF) [9724240, DMR-520565, DGE0801470] FX J.A.T., M.S.W, and R.Z. would like to thank the U.S. DOE, Office of Basic Energy Science for funding as well as Mr. David Missimer (SRNL) for his help with the XRD measurements, Mr. Joseph Wheeler (SRNL) for his assistance with the laboratory operations, and Dr. Gregg Morgan (SRNL) for the use of his PCT instrument. The NMR facility at Caltech was supported by the National Science Foundation (NSF) under grant number 9724240 and partially supported by the MRSEC Program of the NSF under award number DMR-520565. Mass spectrometry measurements were supported by the National Science Foundation grant number DGE0801470, "Sustainable Technology through Advanced Interdisciplinary Research" (STAIR), awarded to the University of Tennessee Knoxville. NR 56 TC 48 Z9 48 U1 5 U2 77 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 582 EP 589 DI 10.1021/nl203045v PG 8 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 887XW UT WOS:000299967800010 PM 22206302 ER PT J AU Hopkins, PE Baraket, M Barnat, EV Beechem, TE Kearney, SP Duda, JC Robinson, JT Walton, SG AF Hopkins, Patrick E. Baraket, Mira Barnat, Edward V. Beechem, Thomas E. Kearney, Sean P. Duda, John C. Robinson, Jeremy T. Walton, Scott G. TI Manipulating Thermal Conductance at Metal-Graphene Contacts via Chemical Functionalization SO NANO LETTERS LA English DT Article DE Graphene; thermal boundary conductance; chemical functionalization; adsorbates; bond strength; Raman spectroscopy; X-ray photoelectron spectroscopy; time domain thermoreflectance; sp(3) bonding ID LAYER GRAPHENE; TRANSPORT; CONDUCTIVITY; GRAPHITE; DIAMOND; FILMS AB Graphene-based devices have garnered tremendous attention due to the unique physical properties arising from this purely two-dimensional carbon sheet leading to tremendous efficiency in the transport of thermal carriers (i.e., phonons). However, it is necessary for this two-dimensional material to be able to efficiently transport heat into the surrounding 3D device architecture in order to fully capitalize on its intrinsic transport capabilities. Therefore, the thermal boundary conductance at graphene interfaces is a critical parameter in the realization of graphene electronics and thermal solutions. In this work, we examine the role of chemical functionalization on the thermal boundary conductance across metal/graphene interfaces. Specifically, we metalize graphene that has been plasma functionalized and then measure the thermal boundary conductance at Al/graphene/SiO2 contacts with time domain thermoreflectance. The addition of adsorbates to the graphene surfaces are shown to influence the cross plane thermal conductance; this behavior is attributed to changes in the bonding between the metal and the graphene, as both the phonon flux and the vibrational mismatch between the materials are each subject to the interfacial bond strength. These results demonstrate plasma-based functionalization of graphene surfaces is a viable approach to manipulate the thermal boundary conductance. C1 [Hopkins, Patrick E.; Duda, John C.] Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA. [Barnat, Edward V.; Beechem, Thomas E.; Kearney, Sean P.; Duda, John C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Baraket, Mira; Walton, Scott G.] USN, Res Lab, Div Plasma Phys, Washington, DC 20375 USA. [Robinson, Jeremy T.] USN, Res Lab, Elect Sci & Technol Div, Washington, DC 20375 USA. RP Hopkins, PE (reprint author), Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA. EM phopkins@virginia.edu; scott.walton@nrl.navy.mil RI Robinson, Jeremy/F-2748-2010; Duda, John/A-7214-2011 FU National Science Foundation [CBET-1134311]; Sandia National Laboratories; National Research Council; Office of Naval Research; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX P.E.H. is grateful for funding from the National Science Foundation (CBET-1134311). P.E.H., T.E.B., and J.C.D. gratefully acknowledge support from the LDRD Program through Sandia National Laboratories. M.B. appreciates the support of the National Research Council. This work was partially supported by the Office of Naval Research. J.C.D. gratefully acknowledges support from the National Science Foundation through the Graduate Research Fellowship Program. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 46 TC 91 Z9 91 U1 5 U2 120 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 590 EP 595 DI 10.1021/nl203060j PG 6 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 887XW UT WOS:000299967800011 PM 22214512 ER PT J AU Stewart, JT Padilha, LA Qazilbash, MM Pietryga, JM Midgett, AG Luther, JM Beard, MC Nozik, AJ Klimov, VI AF Stewart, John T. Padilha, Lazaro A. Qazilbash, M. Mumtaz Pietryga, Jeffrey M. Midgett, Aaron G. Luther, Joseph M. Beard, Matthew C. Nozik, Arthur J. Klimov, Victor I. TI Comparison of Carrier Multiplication Yields in PbS and PbSe Nanocrystals: The Role of Competing Energy-Loss Processes SO NANO LETTERS LA English DT Article DE Carrier multiplication; multiple exciton generation; Auger recombination; hot exciton cooling ID MULTIPLE EXCITON GENERATION; QUANTUM DOTS; SEMICONDUCTOR NANOCRYSTALS; MULTIEXCITON GENERATION; IMPACT IONIZATION; SOLAR-CELLS; EFFICIENCY; EMISSION AB Infrared band gap semiconductor nanocrystals are promising materials for exploring generation III photovoltaic concepts that rely on carrier multiplication or multiple exciton generation, the process in which a single high-energy photon generates more than one electron-hole pair. In this work, we present measurements of carrier multiplication yields and biexciton lifetimes for a large selection of PbS nanocrystals and compare these results to the well-studied PbSe nanocrystals. The similar bulk properties of PbS and PbSe make this an important comparison for discerning the pertinent properties that determine efficient carrier multiplication. We observe that PbS and PbSe have very similar biexciton lifetimes as a function of confinement energy. Together with the similar bulk properties, this suggests that the rates of multiexciton generation, which is the inverse of Auger recombination, are also similar. The carrier multiplication yields in PbS nanocrystals, however, are strikingly lower than those observed for PbSe nanocrystals. We suggest that this implies the rate of competing processes, such as phonon emission, is higher in PbS nanocrystals than in PbSe nanocrystals. Indeed, our estimations for phonon emission mediated by the polar Frohlich-type interaction indicate that the corresponding energy-loss rate is approximately twice as large in PbS than in PbSe. C1 [Stewart, John T.; Padilha, Lazaro A.; Qazilbash, M. Mumtaz; Pietryga, Jeffrey M.; Klimov, Victor I.] Los Alamos Natl Lab, Ctr Adv Solar Photophys, C PCS, Div Chem, Los Alamos, NM 87545 USA. [Midgett, Aaron G.; Luther, Joseph M.; Beard, Matthew C.; Nozik, Arthur J.] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. [Midgett, Aaron G.; Nozik, Arthur J.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. RP Stewart, JT (reprint author), Los Alamos Natl Lab, Ctr Adv Solar Photophys, C PCS, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM jstewart@lanl.gov; klimov@lanl.gov RI Padilha, Lazaro/G-1523-2013; Nozik, Arthur/A-1481-2012; Nozik, Arthur/P-2641-2016; OI BEARD, MATTHEW/0000-0002-2711-1355; Klimov, Victor/0000-0003-1158-3179 FU Center for Advanced Solar Photophysics (CASP); U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES); Los Alamos National Laboratory (LANL); Division of Chemical Sciences, Geosciences, and Biosciences, BES, DOE FX J.T.S., J.M.P., J.M.L., A.J.N., and V.I.K. acknowledge support of the Center for Advanced Solar Photophysics (CASP), an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES). L.A.P. is supported by the Los Alamos National Laboratory LDRD program. J.T.S and M.M.Q. are supported by LANL Director's Postdoctoral Fellowships. M.C.B. and A.G.M. were supported by the Solar Photochemistry program within the Division of Chemical Sciences, Geosciences, and Biosciences, BES, DOE. We would like to thank CASP EFRC members for useful discussions and Wan Ki Bae for TEM characterization. NR 52 TC 55 Z9 56 U1 2 U2 99 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 622 EP 628 DI 10.1021/nl203367m PG 7 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 887XW UT WOS:000299967800016 PM 22148950 ER PT J AU Appavoo, K Lei, DY Sonnefraud, Y Wang, B Pantelides, ST Maier, SA Haglund, RF AF Appavoo, Kannatassen Lei, Dang Yuan Sonnefraud, Yannick Wang, Bin Pantelides, Sokrates T. Maier, Stefan A. Haglund, Richard F., Jr. TI Role of Defects in the Phase Transition of VO2 Nanoparticles Probed by Plasmon Resonance Spectroscopy SO NANO LETTERS LA English DT Article DE Vanadium dioxide; VO2; phase transition; interface; defect; size effect; localized surface plasmon resonance; density functional theory; domain boundary engineering ID METAL-INSULATOR-TRANSITION; GRAIN-BOUNDARIES; VANADIUM DIOXIDE; OPTICAL-PROPERTIES; THIN-FILMS; STRAIN; NUCLEATION; OXIDES AB Defects are known to affect nanoscale phase transitions, but their specific role in the metal-to-insulator transition in VO2 has remained elusive. By combining plasmon resonance nanospectroscopy with density functional calculations, we correlate decreased phase-transition energy with oxygen vacancies created by strain at grain boundaries. By measuring the degree of metallization in the lithographically defined VO2 nanoparticles, we find that hysteresis width narrows with increasing size, thus illustrating the potential for domain boundary engineering in phase-changing nanostructures. C1 [Appavoo, Kannatassen; Haglund, Richard F., Jr.] Vanderbilt Univ, Interdisciplinary Program Mat Sci, Nashville, TN 37235 USA. [Appavoo, Kannatassen; Haglund, Richard F., Jr.] Vanderbilt Univ, Inst Nanoscale Sci & Engn, Nashville, TN 37235 USA. [Lei, Dang Yuan; Sonnefraud, Yannick; Maier, Stefan A.] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2AZ, England. [Wang, Bin; Pantelides, Sokrates T.; Haglund, Richard F., Jr.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Pantelides, Sokrates T.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Appavoo, K (reprint author), Vanderbilt Univ, Interdisciplinary Program Mat Sci, 221 Kirkland Hall, Nashville, TN 37235 USA. EM krishenappavoo@gmail.com RI Wang, Bin/E-8301-2011; Lei, Dangyuan/B-9812-2011; OI Wang, Bin/0000-0001-8246-1422; Lei, Dangyuan/0000-0002-8963-0193; Sonnefraud, Yannick/0000-0002-5508-1958 FU National Science Foundation [ECE-0801980]; Engineering and Physical Sciences Research Council (EPSRC); Leverhulme Trust; DTRA [HDTRA1-10-1-0016]; Department of Energy Basic Energy Sciences; McMinn Endowment FX The authors thank J. Nag for helpful discussions regarding VO2. K.A. was supported by a research assistantship provided by the National Science Foundation (ECE-0801980). Portions of this work were performed at the Vanderbilt Institute of Nanoscale Science and Engineering, using facilities renovated under NSF ARI-R2 DMR-0963361. Research at Imperial College London was sponsored by the Engineering and Physical Sciences Research Council (EPSRC). Y.S. and D.Y.L. acknowledge funding from the Leverhulme Trust. Research at Vanderbilt was supported by DTRA grant HDTRA1-10-1-0016 and computations were performed at the AFRL. Theoretical work was supported in part by the Department of Energy Basic Energy Sciences and the McMinn Endowment. NR 48 TC 86 Z9 86 U1 17 U2 167 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 780 EP 786 DI 10.1021/nl203782y PG 7 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 887XW UT WOS:000299967800042 PM 22273268 ER PT J AU Graham, MW Calhoun, TR Green, AA Hersam, MC Fleming, GR AF Graham, Matt W. Calhoun, Tessa R. Green, Alexander A. Hersam, Mark C. Fleming, Graham R. TI Two-Dimensional Electronic Spectroscopy Reveals the Dynamics of Phonon-Mediated Excitation Pathways in Semiconducting Single-Walled Carbon Nanotubes SO NANO LETTERS LA English DT Article DE ultrafast; carbon nanotubes; multidimensional spectroscopy; multiphonon assisted transition; phonon side-band; femtosecond dynamics ID SPECTRA; EXCITONS AB Electronic two-dimensional Fourier transform (2D-FT) spectroscopy is applied to semiconducting single-walled carbon nanotubes and provides a spectral and time-domain map of exciton-phonon assisted excitations. Using 12 fs long pulses, we resolve side-bands above the E-22 transition that correspond with the RBM, G, G', 2G and other multiphonon modes. The appearance of 2D-FT spectral cross-peaks explicitly resolves discrete phonon assisted population transfer that scatters excitations to the E-22 (Gamma-pt) state, often through a second-order exciton-phonon coupling process. All 2D-FT peaks exhibit a strong peak amplitude modulation at the G-band period (21 fs) which we show originates from an impulsive stimulated Raman process that populates a ground-state G-band vibrational coherence over a 1.3 Ps phonon lifetime. C1 [Graham, Matt W.; Calhoun, Tessa R.; Fleming, Graham R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Graham, Matt W.; Calhoun, Tessa R.; Fleming, Graham R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Green, Alexander A.; Hersam, Mark C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Green, Alexander A.; Hersam, Mark C.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Fleming, GR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM grfleming@lbl.gov RI Hersam, Mark/B-6739-2009; OI Green, Alexander/0000-0003-2058-1204 FU NSF [CHE-1012168, DMR-1006391, DMR-1121262]; Natural Sciences and Engineering Research Council of Canada; Nanoelectronics Research Initiative FX This work is supported by NSF Grant CHE-1012168 to G.R.F. M.W.G. and A.A.G. thank Natural Sciences and Engineering Research Council of Canada for postgraduate scholarships. Density gradient processing was supported by the NSF (DMR-1006391 and DMR-1121262) and the Nanoelectronics Research Initiative. We thank Y.-Z. Ma, G. S. Schlau-Cohen, and L. V. Valkunas for their helpful contributions. NR 34 TC 18 Z9 19 U1 2 U2 42 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 813 EP 819 DI 10.1021/nl2038503 PG 7 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 887XW UT WOS:000299967800048 PM 22214398 ER PT J AU Yu, Q Qi, L Chen, K Mishra, RK Li, J Minor, AM AF Yu, Qian Qi, Liang Chen, Kai Mishra, Raja K. Li, Ju Minor, Andrew M. TI The Nanostructured Origin of Deformation Twinning SO NANO LETTERS LA English DT Article DE In situ TEM tensile/bending/compression tests; high-strength Mg; nanotwin; TWIP; nucleation ID MAGNESIUM ALLOYS; PLASTICITY; BOUNDARIES; MECHANISMS; DUCTILITY; PHYSICS; METALS; STEELS; GRAIN; SIZE AB We have revealed the fundamental embryonic structure of deformation twins using in situ mechanical testing of magnesium single crystals in a transmission electron microscope. This structure consists of an array of twin-related laths on the scale of several nanometers. A computational model demonstrates that this structure should be a generic feature at the incipient stage of deformation twinning when there are correlated nucleation events. Our results shed light on the origin of twinning-induced plasticity and transformation toughening, critical to the development of advanced structural alloys with high strength, ductility, and toughness. C1 [Yu, Qian; Minor, Andrew M.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Yu, Qian; Minor, Andrew M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Qi, Liang; Li, Ju] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. [Li, Ju] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Chen, Kai] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China. [Chen, Kai] Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, Xian 710049, Peoples R China. [Mishra, Raja K.] Gen Motors Res & Dev Ctr, Warren, MI 48090 USA. RP Minor, AM (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM aminor@berkeley.edu RI Li, Ju/A-2993-2008; Qi, Liang/A-3851-2010; Yu, Qian/C-5949-2013; Chen, Kai/O-5662-2014; xjtu, campnano/Q-1904-2015 OI Li, Ju/0000-0002-7841-8058; Qi, Liang/0000-0002-0201-9333; Chen, Kai/0000-0002-4917-4445; FU General Motors Research and Development Center; U.S. Department of Energy [DE-AC02-05CH11231]; NSF [CMMI-0728069, DMR-1008104]; AFOSR [FA9550-08-1-0325] FX This research was supported by the General Motors Research and Development Center and performed at the National Center for Electron Microscopy and the Advanced Light Source at Lawrence Berkeley National Laboratory, which is supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. L.Q, and J.L. acknowledge support by NSF Grants CMMI-0728069 and DMR-1008104, and AFOSR Grant FA9550-08-1-0325. The authors thank U. Dahmen for thoughtful discussions. NR 31 TC 87 Z9 89 U1 14 U2 210 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 887 EP 892 DI 10.1021/nl203937t PG 6 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 887XW UT WOS:000299967800060 PM 22239446 ER PT J AU Ahmed, T Kilina, S Das, T Haraldsen, JT Rehr, JJ Balatsky, AV AF Ahmed, Towfiq Kilina, Svetlana Das, Tanmoy Haraldsen, Jason T. Rehr, John J. Balatsky, Alexander V. TI Electronic Fingerprints of DNA Bases on Graphene SO NANO LETTERS LA English DT Article DE STM; electronic DNA sequencing; graphene; tunneling conductance; DNA base fingerprints ID SCANNING TUNNELING MICROSCOPE; BASIS-SET; MOLECULES; TRANSPORT; SURFACE AB We calculate the electronic local density of states (LDOS) of DNA nucleotide bases (A,C,G,T), deposited on graphene. We observe significant base-dependent features in the LDOS in an energy range within a few electronvolts of the Fermi level. These features can serve as electronic fingerprints for the identification of individual bases in scanning tunneling spectroscopy (STS) experiments that perform image and site dependent spectroscopy on biomolecules. Thus the fingerprints of DNA-graphene hybrid structures may provide an alternative route to DNA sequencing using STS. C1 [Ahmed, Towfiq; Rehr, John J.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Kilina, Svetlana] N Dakota State Univ, Dept Chem & Biochem, Fargo, ND 58108 USA. [Das, Tanmoy; Haraldsen, Jason T.; Balatsky, Alexander V.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Haraldsen, Jason T.; Balatsky, Alexander V.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Ahmed, T (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. EM atowfiq@u.washington.edu; avb@lanl.gov RI Haraldsen, Jason/B-9809-2012 OI Haraldsen, Jason/0000-0002-8641-5412 FU U.S. Department of Energy [DE-AC52-06NA25396] FX We are grateful to M. DiVentra, T. Kawai, J. T. Vinson, Y. Liu, J. Martinez, I. Schuller, H. Tanaka, A. Taylor, S. Tretiak, F. D. Vila, Y. Baba, and D. Yarotski for useful discussions. This work was performed in part at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 27 TC 31 Z9 31 U1 1 U2 63 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 927 EP 931 DI 10.1021/nl2039315 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 887XW UT WOS:000299967800067 PM 22257137 ER PT J AU Qin, SY Kim, TH Zhang, YN Ouyang, WJ Weitering, HH Shih, CK Baddorf, AP Wu, RQ Li, AP AF Qin, Shengyong Kim, Tae-Hwan Zhang, Yanning Ouyang, Wenjie Weitering, Hanno H. Shih, Chih-Kang Baddorf, Arthur P. Wu, Ruqian Li, An-Ping TI Correlating Electronic Transport to Atomic Structures in Self-Assembled Quantum Wires SO NANO LETTERS LA English DT Article DE Electronic transport; nanowire; defects; electronic coupling; localization; electronic density of states; scanning tunneling microscopy ID NANOWIRES; SILICIDES; SURFACES; SILICON AB Quantum wires, as a smallest electronic conductor, are expected to be a fundamental component in all quantum architectures. The electronic conductance in quantum wires, however, is often dictated by structural instabilities and electron localization at the atomic scale. Here we report on the evolutions of electronic transport as a function of temperature and interwire coupling as the quantum wires of GdSi2 are self-assembled on Si(100) wire-by-wire. The correlation between structure, electronic properties, and electronic transport are examined by combining nanotransport measurements, scanning tunneling microscopy, and density functional theory calculations. A metal-insulator transition is revealed in isolated nanowires, while a robust metallic state is obtained in wire bundles at low temperature. The atomic defects lead to electron localizations in isolated nanowire, and interwire coupling stabilizes the structure and promotes the metallic states in wire bundles. This illustrates how the conductance nature of a one-dimensional system can be dramatically modified by the environmental change on the atomic scale. C1 [Qin, Shengyong; Kim, Tae-Hwan; Baddorf, Arthur P.; Li, An-Ping] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Zhang, Yanning; Ouyang, Wenjie; Wu, Ruqian] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Weitering, Hanno H.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Shih, Chih-Kang] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. RP Li, AP (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM apli@ornl.gov RI Kim, Tae-Hwan/A-5636-2010; ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013; Li, An-Ping/B-3191-2012; Qin, Shengyong/A-7348-2012; Baddorf, Arthur/I-1308-2016 OI Kim, Tae-Hwan/0000-0001-5328-0913; Wu, Ruqian/0000-0002-6156-7874; Li, An-Ping/0000-0003-4400-7493; Baddorf, Arthur/0000-0001-7023-2382 FU Office of Basic Energy Sciences, U.S. Department of Energy at Oak Ridge National Laboratory; DOE [DE-FG02-05ER46237] FX This research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Office of Basic Energy Sciences, U.S. Department of Energy. Work at UCI was supported by DOE grant DE-FG02-05ER46237. Calculations were performed on parallel computers at NERSC. NR 32 TC 17 Z9 17 U1 0 U2 38 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 938 EP 942 DI 10.1021/nl204003s 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 887XW UT WOS:000299967800069 PM 22268695 ER PT J AU Senyuk, B Evans, JS Ackerman, PJ Lee, T Manna, P Vigderman, L Zubarev, ER van de Lagemaat, J Smalyukh, II AF Senyuk, Bohdan Evans, Julian S. Ackerman, Paul J. Lee, Taewoo Manna, Pramit Vigderman, Leonid Zubarev, Eugene R. van de Lagemaat, Jao Smalyukh, Ivan I. TI Shape-Dependent Oriented Trapping and Scaffolding of Plasmonic Nanoparticles by Topological Defects for Self-Assembly of Colloidal Dimers in Liquid Crystals SO NANO LETTERS LA English DT Article DE Plasmonic nanoparticles; nanoscale self-assembly; liquid crystal elasticity; colloids; topological defects; optical trapping ID SINGLE GOLD NANORODS; ANISOTROPIC FLUIDS; OPTICAL-PROPERTIES; PARTICLE; SPECTROSCOPY; ORIENTATION; COMPOSITES; RESONANCES; ALIGNMENT AB We demonstrate scaffolding of plasmonic nanoparticles by topological defects induced by colloidal microspheres to match their surface boundary conditions with a uniform far-field alignment in a liquid crystal host. Displacing energetically costly liquid crystal regions of reduced order, anisotropic nanoparticles with concave or convex shapes not only stably localize in defects but also self-orient with respect to the microsphere surface. Using laser tweezers, we manipulate the ensuing nanoparticle-microsphere colloidal dimers, probing the strength of elastic binding and demonstrating self-assembly of hierarchical colloidal superstructures such as chains and arrays. C1 [Senyuk, Bohdan; Evans, Julian S.; Ackerman, Paul J.; Lee, Taewoo; Smalyukh, Ivan I.] Univ Colorado, Dept Elect Comp & Energy Engn, Mat Sci & Engn Program, Dept Phys, Boulder, CO 80309 USA. [Senyuk, Bohdan; Evans, Julian S.; Ackerman, Paul J.; Lee, Taewoo; Smalyukh, Ivan I.] Univ Colorado, Liquid Crystals Mat Res Ctr, Boulder, CO 80309 USA. [Evans, Julian S.; van de Lagemaat, Jao] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Manna, Pramit; Vigderman, Leonid; Zubarev, Eugene R.] Rice Univ, Dept Chem, Houston, TX 77005 USA. [van de Lagemaat, Jao; Smalyukh, Ivan I.] Natl Renewable Energy Lab, Renewable & Sustainable Energy Inst, Boulder, CO 80309 USA. RP Smalyukh, II (reprint author), Univ Colorado, Dept Elect Comp & Energy Engn, Mat Sci & Engn Program, Dept Phys, Boulder, CO 80309 USA. EM ivan.smalyukh@colorado.edu RI Zubarev, Eugene/C-9288-2011; van de Lagemaat, Jao/J-9431-2012; Smalyukh, Ivan/C-2955-2011; Manna, Pramit/F-5752-2014; Senyuk, Bohdan/M-3185-2014 OI Smalyukh, Ivan/0000-0003-3444-1966; Senyuk, Bohdan/0000-0002-0004-3161 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy with the National Renewable Energy Laboratory [DE-AC36-08GO28308]; International Institute for Complex Adaptive Matter; NSF [DMR-0847782, DMR-0820579, DMR-0844115, DMR-0547399, DMR-1105878] FX This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory (J.vdL and J.S.E.), by the International Institute for Complex Adaptive Matter (B.S.), and by NSF Grants DMR-0847782, DMR-0820579, and DMR-0844115 (I.I.S., B.S., P.J.A., and T.L.). E.R.Z. acknowledges financial support by NSF (DMR- 0547399, DMR-1105878). We thank Christian Schoen and Shelley Coldiron from Nanopartz, Inc. for providing gold nanoparticles along with the corresponding TEM images (Figure la,c,d). We acknowledge discussions with Nick Abbott, Noel Clark, and Victor Pergamenshchik. NR 45 TC 77 Z9 77 U1 6 U2 124 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 955 EP 963 DI 10.1021/nl204030t PG 9 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 887XW UT WOS:000299967800072 PM 22233163 ER PT J AU Zhang, LJ d'Avezac, M Luo, JW Zunger, A AF Zhang, Lijun d'Avezac, Mayeul Luo, Jun-Wei Zunger, Alex TI Genomic Design of Strong Direct-Gap Optical Transition in Si/Ge Core/Multishell Nanowires SO NANO LETTERS LA English DT Article DE Silicon; light-emitting/absorbing; core/shell nanowire; genetic algorithm ID STRAINED-LAYER SUPERLATTICES; LIGHT-EMITTING-DIODES; SILICON NANOWIRES; SEMICONDUCTOR NANOWIRES; ROOM-TEMPERATURE; CORE-SHELL; PHOTOLUMINESCENCE; HETEROSTRUCTURES; LUMINESCENCE; EMISSION AB Finding a Si-based material with strong optical activity at the band-edge remains a challenge despite decades of research. The interest lies in combining optical and electronic functions on the same wafer, while retaining the extraordinary know-how developed for Si. However, Si is an indirect-gap material. The conservation of crystal momentum mandates that optical activity at the band-edge includes a phonon, on top of an electron-hole pair, and hence photon absorption and emission remain fairly unlikely events requiring optically rather thick samples. A promising avenue to convert Si-based materials to a strong light-absorber/emitter is to combine the effects on the band-structure of both nanostructuring and alloying. The number of possible configurations, however, shows a combinatorial explosion. Furthermore, whereas it is possible to readily identify the configurations that are formally direct in the momentum space (due to band-folding) yet do not have a dipole-allowed transition at threshold, the problem becomes not just calculation of band structure but also calculation of absorption strength. Using a combination of a genetic algorithm and a semiempirical pseudopotential Hamiltonian for describing the electronic structures, we have explored hundreds of thousands of possible coaxial core/multishell Si/Ge nanowires with the orientation of [001], [110], and [111], discovering some "magic sequences" of core followed by specific Si/Ge multishells, which can offer both a direct bandgap and a strong oscillator strength. The search has revealed a few simple design principles: (i) the Ge core is superior to the Si core in producing strong bandgap transition; (ii) [001] and [110] orientations have direct bandgap, whereas the [111] orientation does not; (iii) multishell nanowires can allow for greater optical activity by as much as an order of magnitude over plain nanowires; (iv) the main motif of the winning configurations giving direct allowed transitions involves rather thin Si shell embedded within wide Ge shells. We discuss the physical origin of the enhanced optical activity, as well as the effect of possible experimental structural imperfections on optical activity in our candidate core/multishell nanowires. C1 [Zhang, Lijun; d'Avezac, Mayeul; Luo, Jun-Wei] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Zunger, Alex] Univ Colorado, Boulder, CO 80302 USA. RP Zhang, LJ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM lijun_physics@yahoo.com.cn; alex.zunger@gmail.com RI Zhang, Lijun/F-7710-2011; Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; OI d'Avezac, Mayeul/0000-0002-2615-8397 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-AC36-08GO28308] FX A.Z. thanks Fernando Patolsky and Ori Cheshnovsky of Tel Aviv University for important discussions on core/multishell Si-Ge nanowires. This work is supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Contract No. DE-AC36-08GO28308 to NREL. The "Center for Inverse Design" is a DOE Energy Frontier Research Center. The use of MPP capabilities at the National Energy Research Scientific Computing Center is gratefully acknowledged. NR 59 TC 26 Z9 27 U1 1 U2 64 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 984 EP 991 DI 10.1021/nl2040892 PG 8 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 887XW UT WOS:000299967800076 PM 22216831 ER PT J AU Mazumder, V Chi, MF Mankin, MN Liu, Y Metin, O Sun, DH More, KL Sun, SH AF Mazumder, Vismadeb Chi, Miaofang Mankin, Max N. Liu, Yi Metin, Onder Sun, Daohua More, Karren L. Sun, Shouheng TI A Facile Synthesis of MPd (M = Co, Cu) Nanoparticles and Their Catalysis for Formic Acid Oxidation SO NANO LETTERS LA English DT Article DE Bimetallic nanoparticles; Pd-based nanoparticles; size and composition control; formic acid oxidation; catalysis ID PALLADIUM NANOPARTICLES; AMBIENT CONDITIONS; COUPLING REACTIONS; PD NANOPARTICLES; HYDROGENATION; NANOCRYSTALS AB Monodisperse CoPd nanoparticles (NPs) were synthesized and studied for catalytic formic acid (HCOOH) oxidation (FAO). The NPs were prepared by coreduction of Co(acac)(2) (acac = acetylacetonate) and PdBr2 at 260 degrees C in oleylamine and trioctylphosphine, and their sizes (5-12 nm) and compositions (Co10Pd90 to Co60Pd40) were controlled by heating ramp rate, metal salt concentration, or metal molar ratios. The 8 nm CoPd NPs were activated for HCOOH oxidation by a simple ethanol wash. In 0.1 M HClO4 and 2 M HCOOH solution, their catalytic activities followed the trend of Co50Pd50 > Co60Pd40 > Co10Pd90 > Pd. The Co50Pd50 NPs had an oxidation peak at 0.4 V with a peak current density of 774 A/g(Pd). As a comparison, commercial Pd catalysts showed an oxidation peak at 0.75 V with peak current density of only 254 A/g(Pd). The synthesis procedure could also be extended to prepare CuPd NPs when Co(acac)(2) was replaced by Cu(ac)(2) (ac = acetate) in an otherwise identical condition. The CuPd NPs were less active catalysts than CoPd or even Pd for FAO in HClO4 solution. The synthesis provides a general approach to Pd-based bimetallic NPs and will enable further investigation of Pd-based alloy NPs for electro-oxidation and other catalytic reactions. C1 [Mazumder, Vismadeb; Mankin, Max N.; Liu, Yi; Sun, Shouheng] Brown Univ, Dept Chem, Providence, RI 02912 USA. [Chi, Miaofang; More, Karren L.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Metin, Onder] Ataturk Univ, Dept Chem, Fac Sci, TR-25240 Erzurum, Turkey. [Sun, Daohua] Xiamen Univ, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China. RP Sun, SH (reprint author), Brown Univ, Dept Chem, Providence, RI 02912 USA. EM ssun@brown.edu RI Chi, Miaofang/Q-2489-2015; More, Karren/A-8097-2016 OI Chi, Miaofang/0000-0003-0764-1567; More, Karren/0000-0001-5223-9097 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy; "The Scientific and Technological Research Council of Turkey" (TUBITAK) [2214]; ORNL; Office of Basic Energy Sciences, U.S. Department of Energy FX This work was supported in part by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Program. O.M. thanks "The Scientific and Technological Research Council of Turkey" (TUBITAK) for 2214-Research fellowship program. Microscopy research was supported in part by ORNL's Shared Research Equipment (ShaRE) User Facility, which is sponsored by the Office of Basic Energy Sciences, U.S. Department of Energy. NR 20 TC 116 Z9 121 U1 37 U2 280 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 1102 EP 1106 DI 10.1021/nl2045588 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 887XW UT WOS:000299967800097 PM 22276672 ER PT J AU Ghosh, S Das, D Kao, SC Ganguly, AR AF Ghosh, Subimal Das, Debasish Kao, Shih-Chieh Ganguly, Auroop R. TI Lack of uniform trends but increasing spatial variability in observed Indian rainfall extremes SO NATURE CLIMATE CHANGE LA English DT Article ID PRECIPITATION EXTREMES; CLIMATE-CHANGE; MODEL SIMULATIONS; FREQUENCY; INTENSITY AB Recent studies disagree on how rainfall extremes over India have changed in space and time over the past half century'', as well as on whether the changes observed are due to global warming(5,6) or regional urbanization(7). Although a uniform and consistent decrease in moderate rainfall has been reported, a lack of agreement about trends in heavy rainfall may be due in part to differences in the characterization and spatial averaging of extremes. Here we use extreme value theory(8-15) to examine trends in Indian rainfall over the past half century in the context of long-term, low-frequency variability. We show that when generalized extreme value theory(8,16-18) is applied to annual maximum rainfall over India, no statistically significant spatially uniform trends are observed, in agreement with previous studies using different approaches(2-4). Furthermore, our space-time regression analysis of the return levels points to increasing spatial variability of rainfall extremes over India. Our findings highlight the need for systematic examination of global versus regional drivers of trends in Indian rainfall extremes, and may help to inform flood hazard preparedness and water resource management in the region. C1 [Ganguly, Auroop R.] Northeastern Univ, Boston, MA 02115 USA. [Das, Debasish] Temple Univ, Philadelphia, PA 19122 USA. [Kao, Shih-Chieh] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Ghosh, Subimal] Indian Inst Technol, Bombay 400076, Maharashtra, India. RP Ganguly, AR (reprint author), Northeastern Univ, SN400,360 Huntington Ave, Boston, MA 02115 USA. EM a.ganguly@neu.edu RI Kao, Shih-Chieh/B-9428-2012; OI Kao, Shih-Chieh/0000-0002-3207-5328; Ghosh, Subimal/0000-0002-5722-1440 FU ORNL; National Science Foundation [1029166]; DST-India FX The research was mostly completed when all authors were at Oak Ridge National Laboratory (ORNL) and financially supported by the ORNL (managed by UT-Battelle for US Department of Energy) Laboratory Directed Research and Development programme, National Science Foundation award 1029166, and BOYCAST fellowship of DST-India. E. Kodra and J. Tolen provided helpful comments. NR 30 TC 59 Z9 61 U1 2 U2 26 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1758-678X J9 NAT CLIM CHANGE JI Nat. Clim. Chang. PD FEB PY 2012 VL 2 IS 2 BP 86 EP 91 DI 10.1038/NCLIMATE1327 PG 6 WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 895TU UT WOS:000300520100018 ER PT J AU Zhou, JZ Xue, K Xie, JP Deng, Y Wu, LY Cheng, XH Fei, SF Deng, SP He, ZL Van Nostrand, JD Luo, YQ AF Zhou, Jizhong Xue, Kai Xie, Jianping Deng, Ye Wu, Liyou Cheng, Xiaoli Fei, Shenfeng Deng, Shiping He, Zhili Van Nostrand, Joy D. Luo, Yiqi TI Microbial mediation of carbon-cycle feedbacks to climate warming SO NATURE CLIMATE CHANGE LA English DT Article ID SOIL RESPIRATION; ELEVATED CO2; ECOSYSTEM; DIVERSITY; RESPONSES; ACCLIMATION; COMMUNITIES; IMPACTS; PRAIRIE; GEOCHIP AB Understanding the mechanisms of biospheric feedbacks to climate change is critical to project future climate warming(1-3). Although microorganisms catalyse most biosphere processes related to fluxes of greenhouse gases, little is known about the microbial role in regulating future climate change(4). Integrated metagenomic and functional analyses of a long-term warming experiment in a grassland ecosystem showed that microorganisms play crucial roles in regulating soil carbon dynamics through three primary feedback mechanisms: shifting microbial community composition, which most likely led to the reduced temperature sensitivity of heterotrophic soil respiration; differentially stimulating genes for degrading labile but not recalcitrant carbon so as to maintain long-term soil carbon stability and storage; and enhancing nutrient-cycling processes to promote plant nutrient-use efficiency and hence plant growth. Elucidating microbially mediated feedbacks is fundamental to understanding ecosystem responses to climate warming and provides a mechanistic basis for carbon-climate modelling. C1 [Zhou, Jizhong; Xue, Kai; Xie, Jianping; Deng, Ye; Wu, Liyou; He, Zhili; Van Nostrand, Joy D.] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Zhou, Jizhong; Xue, Kai; Xie, Jianping; Deng, Ye; Wu, Liyou; Cheng, Xiaoli; Fei, Shenfeng; He, Zhili; Van Nostrand, Joy D.; Luo, Yiqi] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Zhou, Jizhong] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94270 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Xie, Jianping] Cent S Univ, Sch Mineral Proc & Bioengn, Changsha 410083, Hunan, Peoples R China. [Cheng, Xiaoli] Chinese Acad Sci, Wuhan Bot Garden, Key Lab Aquat Bot & Watershed Ecol, Wuhan 430074, Peoples R China. [Deng, Shiping] Oklahoma State Univ, Dept Plant & Soil Sci, Stillwater, OK 74078 USA. RP Zhou, JZ (reprint author), Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. EM jzhou@ou.edu RI Deng, Ye/A-2571-2013; He, Zhili/C-2879-2012; Van Nostrand, Joy/F-1740-2016; OI Van Nostrand, Joy/0000-0001-9548-6450; ?, ?/0000-0002-7584-0632 FU US Department of Energy, Biological Systems Research [DE-SC0004601]; Oklahoma Bioenergy Center (OBC); ENIGMA-Ecosystems and Networks Integrated with Genes and Molecular Assemblies through the Office of Science, Office of Biological and Environmental Research; US Department of Energy [DE-AC02-05CH11231]; US Department of Agriculture through the NSF-USDA [2007-35319-18305] FX This work is supported by the US Department of Energy, Biological Systems Research on the Role of Microbial Communities in Carbon Cycling Program (DE-SC0004601), and Oklahoma Bioenergy Center (OBC). The GeoChips and associated computational pipelines used in this study were supported by ENIGMA-Ecosystems and Networks Integrated with Genes and Molecular Assemblies through the Office of Science, Office of Biological and Environmental Research, the US Department of Energy under Contract No. DE-AC02-05CH11231 and by the US Department of Agriculture (Project 2007-35319-18305) through the NSF-USDA Microbial Observatories Program. NR 30 TC 127 Z9 148 U1 36 U2 283 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1758-678X J9 NAT CLIM CHANGE JI Nat. Clim. Chang. PD FEB PY 2012 VL 2 IS 2 BP 106 EP 110 DI 10.1038/NCLIMATE1331 PG 5 WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 895TU UT WOS:000300520100022 ER PT J AU Kurien, S Smith, LM AF Kurien, S. Smith, L. M. TI Asymptotics of unit Burger number rotating and stratified flows for small aspect ratio SO PHYSICA D-NONLINEAR PHENOMENA LA English DT Article DE Rotating flows; Stratified flows; Burger number 1 flows; Small-aspect-ratio flows ID INTERMEDIATE MODELS; TURBULENCE; DYNAMICS; SIMULATION; ATMOSPHERE; FLUID AB Rotating and stably stratified Boussinesq flow is investigated for Burger number unity in domain aspect ratio (height/horizontal length) delta < 1 and delta = 1. To achieve Burger number unity, the non-dimensional rotation and stratification frequencies (Rossby and Froude numbers, respectively) are both set equal to a second small parameter epsilon < 1. Non-dimensionalization of potential vorticity distinguishes contributions proportional to (epsilon delta)(-1), delta(-1) and O(1). The (epsilon delta)(-1) terms are the linear terms associated with the pseudopotential vorticity of the quasi-geostrophic limit. For fixed delta = 1/4 and a series of decreasing a, numerical simulations are used to assess the importance of the delta(-1) contribution of potential vorticity to the potential enstrophy. The change in the energy spectral scalings is studied as epsilon is decreased. For intermediate values of epsilon, as the flow transitions to the (delta epsilon)(-1) regime in potential vorticity, both the wave and vortical components of the energy spectrum undergo changes in their scaling behavior. For sufficiently small epsilon, the (delta epsilon)(-1) contributions dominate the potential vorticity, and the vortical mode spectrum recovers k(-3) quasi-geostrophic scaling. However, the wave mode spectrum shows scaling that is very different from the well-known k(-1) scaling observed for the same asymptotics at delta = 1. Visualization of the wave component of the horizontal velocity at delta = 1/4 reveals a tendency toward a layered structure while there is no evidence of layering in the delta = 1 case. The investigation makes progress toward quantifying the effects of aspect ratio delta on the epsilon -> 0 asymptotics for the wave component of unit Burger number flows. At the lowest value of epsilon = 0.002, it is shown that the horizontal kinetic energy spectral scalings are consistent with phenomenology that explains how linear potential vorticity constrains energy in the limit E epsilon -> 0 for fixed delta. Published by Elsevier B.V. C1 [Kurien, S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87501 USA. [Smith, L. M.] Univ Wisconsin, Dept Math & Engn Phys, Madison, WI USA. RP Kurien, S (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87501 USA. EM skurien@lanl.gov; lsmith@math.wisc.edu NR 45 TC 5 Z9 5 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2789 J9 PHYSICA D JI Physica D PD FEB 1 PY 2012 VL 241 IS 3 SI SI BP 149 EP 163 DI 10.1016/j.physd.2011.06.008 PG 15 WC Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Mathematics; Physics GA 899LA UT WOS:000300816200004 ER PT J AU Odier, P Chen, J Ecke, RE AF Odier, P. Chen, J. Ecke, R. E. TI Understanding and modeling turbulent fluxes and entrainment in a gravity current SO PHYSICA D-NONLINEAR PHENOMENA LA English DT Article DE Mixing; Gravity current; Mixing length; Entrainment; Oceanic circulation ID STRATIFIED ENVIRONMENTS; SHEAR FLOWS; EVOLUTION; SLOPES; NUMBER; LAYERS; FLUID AB We present an experimental study of the mixing processes in a gravity current flowing on an inclined plane. The turbulent transport of momentum and density can be described in a very direct and compact form by a Prandtl mixing length model: the turbulent vertical fluxes of momentum and density are found to scale quadratically with the vertical mean gradients of velocity and density. The scaling coefficient, the square of the mixing length, is approximately constant over the mixing zone of the stratified shear layer. We show how, in different flow configurations, this length can be related to the shear length of the flow (epsilon/partial derivative(z)u(3))(1/2). We also study the fluctuations of the momentum and density turbulent fluxes, showing how they relate to mixing and to the entrainment/detrainment balance. We suggest a quantitative measure of local entrainment and detrainment derived from observed conditional correlations of density flux and density or vertical velocity fluctuations. (C) 2011 Elsevier B.V. All rights reserved. C1 [Odier, P.] Ecole Normale Super Lyon, Phys Lab, F-69364 Lyon 07, France. [Chen, J.; Ecke, R. E.] Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, Los Alamos, NM 87545 USA. [Chen, J.; Ecke, R. E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Chen, J.] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. RP Odier, P (reprint author), Ecole Normale Super Lyon, Phys Lab, 46 Allee Italie, F-69364 Lyon 07, France. EM podier@ens-lyon.fr OI Ecke, Robert/0000-0001-7772-5876 FU US Department of Energy [DE-AC52-06NA25396] FX We acknowledge useful discussions with H. Aluie, J.-F. Pinton and M. Rivera. Work performed at Los Alamos National Laboratory was funded by the US Department of Energy under Contract No. DE-AC52-06NA25396. NR 28 TC 7 Z9 7 U1 2 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2789 EI 1872-8022 J9 PHYSICA D JI Physica D PD FEB 1 PY 2012 VL 241 IS 3 SI SI BP 260 EP 268 DI 10.1016/j.physd.2011.07.010 PG 9 WC Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Mathematics; Physics GA 899LA UT WOS:000300816200017 ER PT J AU D'Souza, SW Nayak, J Maniraj, M Rai, A Dhaka, RS Barman, SR Schlagel, DL Lograsso, TA Chakrabarti, A AF D'Souza, S. W. Nayak, J. Maniraj, M. Rai, Abhishek Dhaka, R. S. Barman, S. R. Schlagel, D. L. Lograsso, T. A. Chakrabarti, Aparna TI Ni2MnGa(100) ferromagnetic shape memory alloy: A surface study SO SURFACE SCIENCE LA English DT Article DE Photoemission spectroscopy; Low energy electron diffraction; Ferromagnetic shape memory alloy; Density functional theory; Martensite transition ID NI-MN-GA; FIELD-INDUCED STRAIN; CRYSTAL-STRUCTURE; PHASE-TRANSITIONS; MARTENSITIC-TRANSFORMATION; PREMARTENSITIC TRANSITION; COMPOUND NI2MNGA; SINGLE-CRYSTALS; NI2+XMN1-XGA; MN2NIGA AB Ni2MnGa(100) single crystal studied using low energy electron diffraction (LEED) and ultraviolet photoemission spectroscopy (UPS) exhibits interesting modification of the surface properties that are mainly influenced by surface composition as well as intrinsic effects. In the martensite phase, the LEED spot profiles show presence of an incommensurate modulation for the stoichiometric surface. In contrast, a commensurate modulation is observed for Mn-excess Ni-Mn-Ga surface. A pre-martensite phase is identified at the surface. Both the surface martensitic and pre-martensitic transition temperatures decrease as the Mn content increases. The UPS spectra in the austenite phase exhibit systematic change in shape as a function of surface composition that can be related to changes in the hybridization between Ni and Mn 3d states. The spectra in the martensite phase exhibit interesting modifications near the Fermi level, which has been compared to density of states calculated for a modulated structure by ab-initio density functional theory. Intrinsic surface properties dissimilar from the bulk are enhanced hysteresis width of the martensite transition and increased pre-martensitic transition temperature. (C) 2011 Elsevier B.V. All rights reserved. C1 [D'Souza, S. W.; Nayak, J.; Maniraj, M.; Rai, Abhishek; Dhaka, R. S.; Barman, S. R.] UGC DAE Consortium Sci Res, Indore 452001, Madhya Pradesh, India. [Schlagel, D. L.; Lograsso, T. A.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Chakrabarti, Aparna] Raja Ramanna Ctr Adv Technol, Indore 452013, Madhya Pradesh, India. RP Barman, SR (reprint author), UGC DAE Consortium Sci Res, Khandwa Rd, Indore 452001, Madhya Pradesh, India. EM barmansr@gmail.com RI Dhaka, Rajendra/F-9018-2011; Chakrabarti, Aparna/B-2227-2010; Dhaka, Rajendra/C-2486-2013; M, MANIRAJ/C-2684-2011; Roy Barman, Sudipta/B-2026-2010 FU Max Planck Institute, Germany; Department of 20 Science and Technology, Government of India FX K. Horn, M. Schonberg, S. Singh, A. M. Awasthi, and C. Kamal are thanked for support and useful discussions. Fundings from Max Planck Institute, Germany and Department of 20 Science and Technology, Government of India are thankfully acknowledged. S.W.D. and J. N. thank C.S.I.R. for research fellowship. NR 48 TC 10 Z9 10 U1 2 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD FEB PY 2012 VL 606 IS 3-4 BP 130 EP 136 DI 10.1016/j.susc.2011.07.023 PG 7 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 894WQ UT WOS:000300458600006 ER PT J AU Michalak, WD Miller, JB Alfonso, DR Gellman, AJ AF Michalak, W. D. Miller, J. B. Alfonso, D. R. Gellman, A. J. TI Uptake, transport, and release of hydrogen from Pd(100) SO SURFACE SCIENCE LA English DT Article DE Hydrogen transport kinetics; Palladium; Temperature programmed desorption; Hydrogen storage; Hydrogen separation membranes ID DIRECT SUBSURFACE ABSORPTION; PROGRAMMED DESORPTION SPECTRA; METAL-SURFACES; CHEMISORBED HYDROGEN; QUANTUM DYNAMICS; PD(111) SURFACE; SINGLE-CRYSTAL; ADSORPTION; PALLADIUM; TRANSITION AB Understanding the interactions of hydrogen atoms with the surface and the subsurface regions of Pd is critical to the development of advanced energy technologies for hydrogen storage, hydrogen separations, and catalytic conversion processes. While many of the physical and chemical characteristics of the H-2-Pd system are known, the kinetics and thermodynamics of H atom absorption into the bulk, transport from the bulk back to the surface, and desorption from the surface remain unclear. In this work, the kinetics of D-2 release from Pd following exposure to D-2 over a range of pressures and temperatures were measured using temperature programmed desorption. To accurately simulate the kinetics of D-2 release, the continuum-based model of Mavrikakis, et al. (J. Chem. Phys 105, 8398, 1996) was extended to include activation barriers for desorption and transport that depend on D atom concentration in the surface, subsurface and bulk regions of the Pd. The use of concentration dependent barriers improves the ability of the model to predict the hydrogen uptake and release kinetics observed across temperatures ranging from 100 to 600 K. (C) 2011 Elsevier B.V. All rights reserved. C1 [Michalak, W. D.; Miller, J. B.; Gellman, A. J.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Michalak, W. D.; Miller, J. B.; Alfonso, D. R.; Gellman, A. J.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Gellman, AJ (reprint author), Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. EM gellman@cmu.edu RI Gellman, Andrew/M-2487-2014 OI Gellman, Andrew/0000-0001-6618-7427 FU National Energy Technology Laboratory under RDS [DE-AC26-04NT41817]; National Energy Technology Laboratory under RES [DE-FE0004000] FX This technical effort was performed in support of the National Energy Technology Laboratory's on-going research in Computational and Basic Sciences under the RDS contract DE-AC26-04NT41817 and RES contract DE-FE0004000. WDM would like to thank Dr. Bryan Morreale and Professor Michael Widom for their helpful discussions, and Dr. Balaji Sukumar for his help with Comsol. NR 60 TC 9 Z9 9 U1 1 U2 41 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD FEB PY 2012 VL 606 IS 3-4 BP 146 EP 155 DI 10.1016/j.susc.2011.08.022 PG 10 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 894WQ UT WOS:000300458600008 ER PT J AU Enterkin, JA Becerra-Toledo, AE Poeppelmeier, KR Marks, LD AF Enterkin, James A. Becerra-Toledo, Andres E. Poeppelmeier, Kenneth R. Marks, Laurence D. TI A chemical approach to understanding oxide surfaces SO SURFACE SCIENCE LA English DT Article DE Bond valence sum; Coordination; Chemical bond; Surface structure; Metal oxide ID SRTIO3(001) AB Chemical bonding has often been ignored in favor of physics based energetic considerations in attempts to understand the structure, stability, and reactivity of oxide surfaces. Herein, we analyze the chemical bonding in published structures of the SrTiO3, MgO, and NiO surfaces using bond valence sum (BVS) analysis. These simple chemical bonding theories compare favorably with far more complex quantum mechanical calculations in assessing surface structure stability. Further, the coordination and bonding of surface structures explains the observed stability in a readily comprehensible manner. Finally, we demonstrate how simple chemical bonding models accurately predict the adsorption of foreign species onto surfaces, and how such models can be used to predict changes in surface structures. (C) 2011 Elsevier B.V. All rights reserved. C1 [Enterkin, James A.; Poeppelmeier, Kenneth R.; Marks, Laurence D.] Northwestern Univ, Inst Catalysis Energy Proc, Evanston, IL 60208 USA. [Enterkin, James A.; Poeppelmeier, Kenneth R.; Marks, Laurence D.] Northwestern Univ, Ctr Catalysis & Surface Sci, Evanston, IL 60208 USA. [Enterkin, James A.; Poeppelmeier, Kenneth R.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Enterkin, James A.; Poeppelmeier, Kenneth R.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Becerra-Toledo, Andres E.; Marks, Laurence D.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Marks, LD (reprint author), Northwestern Univ, Inst Catalysis Energy Proc, 2137 Sheridan Rd, Evanston, IL 60208 USA. EM l-marks@northwestern.edu RI Marks, Laurence/B-7527-2009 FU Institute for Catalysis in Energy Processing; US Department of Energy, Office of Basic Energy Science [DE-FG02-03-ER15457]; Department of Entergy [DE-FG02-01ER45945]; National Science Foundation [DMR 0906306]; Argonne National Laboratory FX This work was supported primarily by the Institute for Catalysis in Energy Processing, a collaborative research effort between the Northwestern University Center for Catalysis and Surface Science and Argonne National Laboratory, funded through the US Department of Energy, Office of Basic Energy Science (award number DE-FG02-03-ER15457). AEB acknowledges support by the Department of Entergy on Grant Number DE-FG02-01ER45945. We also acknowledge funding for a computational cluster for the DFT calculations from the National Science Foundation on Grant Number DMR 0906306 and the Department of Entergy on Grant Number DE-FG02-01 ER45945. JAE acknowledges support from Argonne National Laboratory. The submitted manuscript has been created by Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory, operated by UChicago Argonne, LLC. 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 97 TC 17 Z9 17 U1 1 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD FEB PY 2012 VL 606 IS 3-4 BP 344 EP 355 DI 10.1016/j.susc.2011.10.018 PG 12 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 894WQ UT WOS:000300458600038 ER PT J AU Kim, J Khajetoorians, AA Zhu, WG Zhang, ZY Shih, CK AF Kim, Jisun Khajetoorians, Alexander Ako Zhu, Wenguang Zhang, Zhenyu Shih, Chih-Kang TI Atomic scale control of catalytic process in oxidation of Pb thin films SO SURFACE SCIENCE LA English DT Article DE Cesium; Lead; Oxygen; Scanning tunneling microscopy (STM); Catalysis ID AUGMENTED-WAVE METHOD; SURFACE; CLUSTERS; GOLD; ADSORPTION; ENERGETICS; TITANIA; ALLOYS AB Using scanning tunneling microscopy (STM), we demonstrate that oxidation on Pb films is greatly enhanced by atomic Cs catalysts. With only a minute concentration of isolated Cs substitutional atoms in the surface layer (0.004 ML coverage), surface oxidation rates are greatly enhanced. First-principles density functional theory (DFT) calculations reveal that a substitutional Cs atom strongly increases O-2 binding on the surface. Then, with additional oxygen exposure this substitutional Cs-initiated oxidation process results in growth of PbO layers in an auto-catalytic manner. Furthermore, we investigate the role of temperature in the oxidation of the Pb films with and without Cs, and we explore the overall morphology of the resultant oxide layers. (C) 2011 Elsevier B.V. All rights reserved. C1 [Kim, Jisun; Khajetoorians, Alexander Ako; Shih, Chih-Kang] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Zhu, Wenguang; Zhang, Zhenyu] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Zhu, Wenguang] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Zhang, Zhenyu] Univ Sci & Technol China, ICQD HFNL, Hefei 230026, Anhui, Peoples R China. RP Shih, CK (reprint author), Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. EM shih@physics.utexas.edu RI Kim, Jisun/A-8774-2014; Zhu, Wenguang/F-4224-2011; Khajetoorians, Alexander/F-9698-2015 OI Kim, Jisun/0000-0002-5810-1512; Zhu, Wenguang/0000-0003-0819-595X; FU NSF [DMR-0906025, DGE-0549417]; Welch Foundation [F-1672]; Division of Materials Science and Engineering, Office of Basic Energy Sciences, US Department of Energy FX This work was funded by NSF Grants No, DMR-0906025, No. DGE-0549417 and Welch Foundation Grant No. F-1672. W.G.Z. was supported by the Division of Materials Science and Engineering, Office of Basic Energy Sciences, US Department of Energy. The calculations were performed at NERSC of DOE. NR 34 TC 0 Z9 0 U1 0 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD FEB PY 2012 VL 606 IS 3-4 BP 450 EP 455 DI 10.1016/j.susc.2011.11.005 PG 6 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 894WQ UT WOS:000300458600052 ER PT J AU Henderson, MA AF Henderson, Michael A. TI Visible light induced photodesorption of NO from the alpha-Cr2O3(0001) surface SO SURFACE SCIENCE LA English DT Article DE Chromium oxide; Photochemistry; Nitric oxide; Temperature programmed desorption; Photodesorption ID LASER-INDUCED DESORPTION; ENERGY-ELECTRON DIFFRACTION; INITIO TOTAL-ENERGY; OXIDE SURFACES; AB-INITIO; CR2O3(0001) SURFACE; PHOTOINDUCED REACTIONS; ROTATIONAL ALIGNMENT; TIO2 PHOTOCATALYSIS; TITANIUM-DIOXIDE AB Nitric oxide chemistry and photochemistry on the Cr-terminated surface of alpha-Cr2O3(0001) were examined using temperature programmed desorption (TPD), sticking coefficient measurements and photodesorption. NO exposed to alpha-Cr2O3(0001) at 100 K binds at surface Cr cation sites forming a strongly bound surface species that thermally desorbs at 320-340 K, depending on coverage. No thermal decomposition was detected in TPD in agreement with previous results in the literature. Sticking probability measurements at 100 K indicated near unity sticking for NO up to coverages of similar to 1.3 ML, with additional adsorption with higher exposures at decreased sticking probability. These results suggest that some Cr cation sites on the alpha-Cr2O3(0001) surface were capable of binding more than one NO molecule, although it is unclear whether this was as separate NO molecules or as dimers. Photodesorption of adsorbed NO was examined for surface coverages below the 1 ML point. Both visible and UV light were shown to photodesorb NO without detectable NO photodecomposition. Visible light photodesorption of NO occurred with a greater cross section than estimated using UV light. The visible light photodesorption event was not associated with bandgap excitation in alpha-Cr2O3(0001), but instead was linked to excitation of a surface Cr3+-NO- charge transfer complex. These results illustrate that localized photoabsorption events at surface sites with unique optical properties (relative to the bulk) can result in unexpected surface photochemistry. (C) 2011 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Henderson, MA (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. EM ma.henderson@pnnl.gov NR 69 TC 8 Z9 8 U1 2 U2 32 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD FEB PY 2012 VL 606 IS 3-4 BP 505 EP 509 DI 10.1016/j.susc.2011.11.019 PG 5 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 894WQ UT WOS:000300458600062 ER PT J AU Chambers, SA Droubay, TC Capan, C Sun, GY AF Chambers, S. A. Droubay, T. C. Capan, C. Sun, G. Y. TI Unintentional F doping of SrTiO3(001) etched in HF acid-structure and electronic properties SO SURFACE SCIENCE LA English DT Article DE Strontium titanate; Surface preparation; X-ray photoemission ID RAY PHOTOELECTRON DIFFRACTION; GAAS(001) SURFACES; INTERFACE AB We show that the HF acid etch commonly used to prepare SrTiO3(001) for heteroepitaxial growth of complex oxides results in a non-negligible level of F doping within the terminal surface layer of TiO2. Using a combination of x-ray photoelectron spectroscopy and scanned angle x-ray photoelectron diffraction, we determine that on average similar to 13% of the O anions in the surface layer are replaced by F. but that F does not occupy O sites in deeper layers. Despite this perturbation to the surface, the Fermi level remains unpinned, and the surface-state density, which determines the amount of band bending, is driven by factors other than F doping. The presence of F at the STO surface is expected to result in lower electron mobilities at complex oxide hetero-junctions involving STO substrates because of impurity scattering. Unintentional F doping can be substantially reduced by replacing the HF-etch step with a boil in deionized water, which in conjunction with an oxygen tube furnace anneal, leaves the surface flat and TiO2 terminated. (C) 2011 Elsevier B.V. All rights reserved. C1 [Chambers, S. A.; Droubay, T. C.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Capan, C.] Washington State Univ, Dept Phys, Pullman, WA 99164 USA. [Sun, G. Y.] Nanjing Univ Sci & Technol, Dept Mat Sci & Engn, Nanjing, Jiangsu, Peoples R China. RP Chambers, SA (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. EM sa.chambers@pnnl.gov RI Droubay, Tim/D-5395-2016 OI Droubay, Tim/0000-0002-8821-0322 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [10122]; Department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory FX The authors thank Prof. Paul Lyman and Dr. Yingge Du for a critical reading of the manuscript. This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award number 10122, and was 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. NR 23 TC 29 Z9 29 U1 3 U2 59 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD FEB PY 2012 VL 606 IS 3-4 BP 554 EP 558 DI 10.1016/j.susc.2011.11.029 PG 5 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 894WQ UT WOS:000300458600070 ER PT J AU Peltoniemi, M Pulkkinen, M Kolari, P Duursma, RA Montagnani, L Wharton, S Lagergren, F Takagi, K Verbeeck, H Christensen, T Vesala, T Falk, M Loustau, D Makela, A AF Peltoniemi, Mikko Pulkkinen, Minna Kolari, Pasi Duursma, Remko A. Montagnani, Leonardo Wharton, Sonia Lagergren, Fredrik Takagi, Kentaro Verbeeck, Hans Christensen, Torben Vesala, Timo Falk, Matthias Loustau, Denis Makela, Annikki TI Does canopy mean nitrogen concentration explain variation in canopy light use efficiency across 14 contrasting forest sites? SO TREE PHYSIOLOGY LA English DT Article DE canopy nitrogen concentration; eddy covariance; gross primary production; light use efficiency; quantum yield; vegetation productivity ID LEAF-AREA INDEX; GROSS PRIMARY PRODUCTION; OLD-GROWTH FOREST; PHOTOSYNTHETICALLY ACTIVE RADIATION; NET ECOSYSTEM EXCHANGE; LONG-TERM MEASUREMENTS; SIBERIAN PINE FOREST; SCOTS PINE; PACIFIC-NORTHWEST; CARBON BALANCE AB The maximum light use efficiency (LUE = gross primary production (GPP)/absorbed photosynthetic photon flux density (aPPFD)) of plant canopies has been reported to vary spatially and some of this variation has previously been attributed to plant species differences. The canopy nitrogen concentration [N] can potentially explain some of this spatial variation. However, the current paradigm of the N-effect on photosynthesis is largely based on the relationship between photosynthetic capacity (A(max)) and [N], i.e., the effects of [N] on photosynthesis rates appear under high PPFD. A maximum LUE-[N] relationship, if it existed, would influence photosynthesis in the whole range of PPFD. We estimated maximum LUE for 14 eddy-covariance forest sites, examined its [N] dependency and investigated how the [N]-maximum LUE dependency could be incorporated into a GPP model. In the model, maximum LUE corresponds to LUE under optimal environmental conditions before light saturation takes place (the slope of GPP vs. PPFD under low PPFD). Maximum LUE was higher in deciduous/mixed than in coniferous sites, and correlated significantly with canopy mean [N]. Correlations between maximum LUE and canopy [N] existed regardless of daily PPFD, although we expected the correlation to disappear under low PPFD when LUE was also highest. Despite these correlations, including [N] in the model of GPP only marginally decreased the root mean squared error. Our results suggest that maximum LUE correlates linearly with canopy [N], but that a larger body of data is required before we can include this relationship into a GPP model. Gross primary production will therefore positively correlate with [N] already at low PPFD, and not only at high PPFD as is suggested by the prevailing paradigm of leaf-level A(max)-[N] relationships. This finding has consequences for modelling GPP driven by temporal changes or spatial variation in canopy [N]. C1 [Peltoniemi, Mikko; Pulkkinen, Minna; Kolari, Pasi; Makela, Annikki] Univ Helsinki, Dept Forest Sci, FI-00014 Helsinki, Finland. [Peltoniemi, Mikko] Finnish Forest Res Inst, Vantaa Res Unit, FIN-01301 Vantaa, Finland. [Duursma, Remko A.] Univ Western Sydney, Hawkesbury Inst Environm, Penrith, NSW 2751, Australia. [Montagnani, Leonardo] Free Univ Bozen Bolzano, Fac Sci & Technol, Bolzano, Italy. [Montagnani, Leonardo] Forest Serv & Agcy Environm, Bolzano, Italy. [Wharton, Sonia] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA USA. [Lagergren, Fredrik; Christensen, Torben] Lund Univ, Geobiosphere Sci Ctr, Dept Phys Geog & Ecosyst Anal, Lund, Sweden. [Takagi, Kentaro] Hokkaido Univ, Field Sci Ctr No Biosphere, Sapporo, Hokkaido, Japan. [Verbeeck, Hans] Univ Ghent, Dept Appl Ecol & Environm Biol, Plant Ecol Lab, B-9000 Ghent, Belgium. [Verbeeck, Hans] Univ Antwerp, Dept Biol, Res Grp Plant & Vegetat Ecol, B-2610 Antwerp, Belgium. [Vesala, Timo] Univ Helsinki, Dept Phys, FI-00014 Helsinki, Finland. [Falk, Matthias] Univ Calif Davis, Davis, CA 95616 USA. [Loustau, Denis] EPHYSE, INRA, UR1263, Villenave Dornon, France. RP Peltoniemi, M (reprint author), Univ Helsinki, Dept Forest Sci, POB 27, FI-00014 Helsinki, Finland. EM mikko.peltoniemi@metla.fi RI Takagi, Kentaro/C-2222-2012; Verbeeck, Hans/A-2106-2009; Montagnani, Leonardo/F-1837-2016; Vesala, Timo/C-3795-2017; OI Verbeeck, Hans/0000-0003-1490-0168; Montagnani, Leonardo/0000-0003-2957-9071; Vesala, Timo/0000-0002-4852-7464; Duursma, Remko/0000-0002-8499-5580; Kolari, Pasi/0000-0001-7271-633X; Makela, Annikki/0000-0001-9633-7350 FU CARB-BAL (Academy of Finland) [128236]; CarboEurope-IP [GOCE-CT-2003-505572]; Nordic Centre of Excellence NECC (Soro, Hyytiala and Tharandt); REBECCA of the Helsinki University Environment Centre HERC (Hyytiala); Goran Gustavsson Foundation (Abisko), National Institute for Environmental Studies, Japan and Hokkaido Electric FX M.P. was funded by the CARB-BAL project (Academy of Finland, grant decision no. 128236). For the support of the European eddy-covariance sites, we acknowledge the CarboEurope-IP project (GOCE-CT-2003-505572), the Nordic Centre of Excellence NECC (Soro, Hyytiala and Tharandt), the REBECCA project of the Helsinki University Environment Centre HERC (Hyytiala), and Goran Gustavsson Foundation (Abisko), National Institute for Environmental Studies, Japan and Hokkaido Electric. NR 86 TC 7 Z9 9 U1 0 U2 38 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0829-318X J9 TREE PHYSIOL JI Tree Physiol. PD FEB PY 2012 VL 32 IS 2 BP 200 EP 218 DI 10.1093/treephys/tpr140 PG 19 WC Forestry SC Forestry GA 901TD UT WOS:000300988800010 PM 22323526 ER PT J AU Grasby, JA Finger, LD Tsutakawa, SE Atack, JM Tainer, JA AF Grasby, Jane A. Finger, L. David Tsutakawa, Susan E. Atack, John M. Tainer, John A. TI Unpairing and gating: sequence-independent substrate recognition by FEN superfamily nucleases SO TRENDS IN BIOCHEMICAL SCIENCES LA English DT Review ID NUCLEOTIDE EXCISION-REPAIR; STRUCTURE-SPECIFIC ENDONUCLEASE; T5 FLAP ENDONUCLEASE; STRAND-BREAK REPAIR; MESSENGER-RNA DECAY; SACCHAROMYCES-CEREVISIAE; DNA-REPLICATION; CATALYTIC PARAMETERS; DAMAGE RECOGNITION; CRYSTAL-STRUCTURE AB Structure-specific 5'-nucleases form a superfamily of evolutionarily conserved phosphodiesterases that catalyse a precise incision of a diverse range of DNA and RNA substrates in a sequence-independent manner. Superfamily members, such as flap endonucleases, exonuclease 1, DNA repair protein XPG, endonuclease GEN1 and the 5'-3'-exoribonucleases, play key roles in many cellular processes such as DNA replication and repair, recombination, transcription, RNA turnover and RNA interference. In this review, we discuss recent results that highlight the conserved architectures and active sites of the structure-specific 5'-nucleases. Despite substrate diversity, a common gating mechanism for sequence-independent substrate recognition and incision emerges, whereby double nucleotide unpairing of substrates is required to access the active site. C1 [Grasby, Jane A.; Finger, L. David; Atack, John M.] Univ Sheffield, Krebs Inst, Dept Chem, Ctr Chem Biol, Sheffield S3 7HF, S Yorkshire, England. [Tsutakawa, Susan E.; Tainer, John A.] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Tainer, John A.] Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. [Tainer, John A.] Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. RP Grasby, JA (reprint author), Univ Sheffield, Krebs Inst, Dept Chem, Ctr Chem Biol, Sheffield S3 7HF, S Yorkshire, England. EM j.a.grasby@sheffield.ac.uk RI Atack, John/B-7961-2015; OI Atack, John/0000-0002-7994-6995; Finger, L. David/0000-0002-2342-9569 FU BBSRC [BBF0147321]; FP7-Marie Curie International Incoming Fellowship [254386]; National Cancer Institute [RO1CA081967, P01CA092584] FX We thank colleagues working on 5'-nucleases for stimulating insights, inspiration and discussions. Our work is supported by BBSRC grant BBF0147321 (JAG), FP7-Marie Curie International Incoming Fellowship Project No. 254386 (LDF) and National Cancer Institute grants RO1CA081967 and P01CA092584 (JAT). NR 83 TC 25 Z9 25 U1 0 U2 22 PU ELSEVIER SCIENCE LONDON PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0968-0004 J9 TRENDS BIOCHEM SCI JI Trends Biochem.Sci. PD FEB PY 2012 VL 37 IS 2 BP 74 EP 84 DI 10.1016/j.tibs.2011.10.003 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 900WU UT WOS:000300923200005 PM 22118811 ER PT J AU Daemen, A Timmerman, D Van den Bosch, T Bottomley, C Kirk, E Van Holsbeke, C Valentin, L Bourne, T De Moor, B AF Daemen, Anneleen Timmerman, Dirk Van den Bosch, Thierry Bottomley, Cecilia Kirk, Emma Van Holsbeke, Caroline Valentin, Lil Bourne, Tom De Moor, Bart TI Improved modeling of clinical data with kernel methods SO ARTIFICIAL INTELLIGENCE IN MEDICINE LA English DT Article DE Machine learning; Support vector machine; Kernel function; Biostatistics; Clinical data representation; Clinical decision support system; Gynecology; Breast cancer ID SUPPORT VECTOR MACHINES; LOGISTIC-REGRESSION MODEL; GENE-EXPRESSION SIGNATURE; OVARIAN-TUMOR-ANALYSIS; BREAST-CANCER; DATA FUSION; UNKNOWN LOCATION; INTEGRATION; VALIDATION; DIAGNOSIS AB Objective: Despite the rise of high-throughput technologies, clinical data such as age, gender and medical history guide clinical management for most diseases and examinations. To improve clinical management, available patient information should be fully exploited. This requires appropriate modeling of relevant parameters. Methods: When kernel methods are used, traditional kernel functions such as the linear kernel are often applied to the set of clinical parameters. These kernel functions, however, have their disadvantages due to the specific characteristics of clinical data, being a mix of variable types with each variable its own range. We propose a new kernel function specifically adapted to the characteristics of clinical data. Results: The clinical kernel function provides a better representation of patients' similarity by equalizing the influence of all variables and taking into account the range r of the variables. Moreover, it is robust with respect to changes in r. Incorporated in a least squares support vector machine, the new kernel function results in significantly improved diagnosis, prognosis and prediction of therapy response. This is illustrated on four clinical data sets within gynecology, with an average increase in test area under the ROC curve (AUC) of 0.023, 0.021, 0.122 and 0.019, respectively. Moreover, when combining clinical parameters and expression data in three case studies on breast cancer, results improved overall with use of the new kernel function and when considering both data types in a weighted fashion, with a larger weight assigned to the clinical parameters. The increase in AUC with respect to a standard kernel function and/or unweighted data combination was maximum 0.127, 0.042 and 0.118 for the three case studies. Conclusion: For clinical data consisting of variables of different types, the proposed kernel function which takes into account the type and range of each variable - has shown to be a better alternative for linear and non-linear classification problems. (C) 2011 Elsevier B.V. All rights reserved. C1 [Daemen, Anneleen; De Moor, Bart] Katholieke Univ Leuven, Dept Elect Engn, B-3001 Louvain, Belgium. [Timmerman, Dirk; Van den Bosch, Thierry; Van Holsbeke, Caroline; Bourne, Tom] Katholieke Univ Leuven, Dept Obstet & Gynecol, Univ Hosp Leuven, B-3000 Louvain, Belgium. [Bottomley, Cecilia] St Georges Univ London, Dept Obstet & Gynaecol, Univ London St Georges Hosp, London SW17 0RE, England. [Kirk, Emma] St Georges Univ London, Early Pregnancy & Gynecol Unit, Univ London St Georges Hosp, London SW17 0RE, England. [Van Holsbeke, Caroline] Hosp Oost Limburg, B-3600 Genk, Belgium. [Valentin, Lil] Lund Univ, Malmo Univ Hosp, SE-20502 Malmo, Sweden. [Bourne, Tom] Univ London Imperial Coll Sci Technol & Med, Hammersmith Hosp, London W12 0NN, England. RP Daemen, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Canc & DNA Damage Responses, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM anneleen.daemen@gmail.com RI Bourne, Tom/I-6478-2012 OI Bourne, Tom/0000-0003-1421-6059 FU Research Council KUL [CoE EF/05/007]; Flemish Government [G.0241.04, G.0499.04, G.0318.05, G.0302.07]; IWT [070706]; Belgian Federal Science Policy Office [IUAP P6/25]; EU-RTD: ERNSI: European Research Network on System Identification FX AD is research assistant of the Fund for Scientific Research - Flanders (FWO-Vlaanderen). BDM is full professor at the Katholieke Universiteit Leuven, Belgium. This work is partially supported by: (1) Research Council KUL: GOA AMBioRICS, CoE EF/05/007 SymBioSys, PROMETA, several PhD/postdoc & fellow grants. (2) Flemish Government: (a) FWO: PhD/postdoc grants, projects G.0241.04 (Functional Genomics), G.0499.04 (Statistics), G.0318.05 (subfunctionalization), G.0302.07 (SVM/Kernel), research communities (ICCoS, ANMMM, MLDM); (b) IWT: PhD Grants, GBOU-McKnow-E (Knowledge management algorithms), GBOU-ANA (biosensors), TAD-BioScope-IT, Silicos; SBO-BioFrame, SBO-MoKa, TBM-Endometriosis, TBM-ovarian tumors 070706 (IOTA3). (3) Belgian Federal Science Policy Office: IUAP P6/25 (BioMaGNet, Bioinformatics and Modeling: from Genomes to Networks, 2007-2011). (4) EU-RTD: ERNSI: European Research Network on System Identification; FP6-NoE Biopattern; FP6-IP e-Tumors, FP6-MC-EST Bioptrain, FP6-STREP Strokemap. NR 42 TC 8 Z9 8 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0933-3657 J9 ARTIF INTELL MED JI Artif. Intell. Med. PD FEB PY 2012 VL 54 IS 2 BP 103 EP 114 DI 10.1016/j.artmed.2011.11.001 PG 12 WC Computer Science, Artificial Intelligence; Engineering, Biomedical; Medical Informatics SC Computer Science; Engineering; Medical Informatics GA 896XH UT WOS:000300604200002 PM 22134094 ER PT J AU Ackermann, M Ajello, M Allafort, A Atwood, WB Baldini, L Barbiellini, G Bastieri, D Bechtol, K Bellazzini, R Bhat, PN Blandford, RD Bonamente, E Borgland, AW Bregeon, J Briggs, MS Brigida, M Bruel, P Buehler, R Burgess, JM Buson, S Caliandro, GA Cameron, RA Casandjian, JM Cecchi, C Charles, E Chekhtman, A Chiang, J Ciprini, S Claus, R Cohen-Tanugi, J Connaughton, V Conrad, J Cutini, S Dennis, BR de Palma, F Dermer, CD Digel, SW Silva, EDE Drell, PS Drlica-Wagner, A Dubois, R Favuzzi, C Fegan, SJ Ferrara, EC Fortin, P Fukazawa, Y Fusco, P Gargano, F Germani, S Giglietto, N Giordano, F Giroletti, M Glanzman, T Godfrey, G Grillo, L Grove, JE Gruber, D Guiriec, S Hadasch, D Hayashida, M Hays, E Horan, D Iafrate, G Johannesson, G Johnson, AS Johnson, WN Kamae, T Kippen, RM Knodlseder, J Kuss, M Lande, J Latronico, L Longo, F Loparco, F Lott, B Lovellette, MN Lubrano, P Mazziotta, MN McEnery, JE Meegan, C Mehault, J Michelson, PF Mitthumsiri, W Monte, C Monzani, ME Morselli, A Moskalenko, IV Murgia, S Murphy, R Naumann-Godo, M Nuss, E Nymark, T Ohno, M Ohsugi, T Okumura, A Omodei, N Orlando, E Paciesas, WS Panetta, JH Parent, D Pesce-Rollins, M Petrosian, V Pierbattista, M Piron, F Pivato, G Poon, H Porter, TA Preece, R Raino, S Rando, R Razzano, M Razzaque, S Reimer, A Reimer, O Ritz, S Sbarra, C Schwartz, RA Sgro, C Share, GH Siskind, EJ Spinelli, P Takahashi, H Tanaka, T Tanaka, Y Thayer, JB Tibaldo, L Tinivella, M Tolbert, AK Tosti, G Troja, E Uchiyama, Y Usher, TL Vandenbroucke, J Vasileiou, V Vianello, G Vitale, V von Kienlin, A Waite, AP Wilson-Hodge, C Wood, DL Wood, KS Yang, Z AF Ackermann, M. Ajello, M. Allafort, A. Atwood, W. B. Baldini, L. Barbiellini, G. Bastieri, D. Bechtol, K. Bellazzini, R. Bhat, P. N. Blandford, R. D. Bonamente, E. Borgland, A. W. Bregeon, J. Briggs, M. S. Brigida, M. Bruel, P. Buehler, R. Burgess, J. M. Buson, S. Caliandro, G. A. Cameron, R. A. Casandjian, J. M. Cecchi, C. Charles, E. Chekhtman, A. Chiang, J. Ciprini, S. Claus, R. Cohen-Tanugi, J. Connaughton, V. Conrad, J. Cutini, S. Dennis, B. R. de Palma, F. Dermer, C. D. Digel, S. W. do Couto e Silva, E. Drell, P. S. Drlica-Wagner, A. Dubois, R. Favuzzi, C. Fegan, S. J. Ferrara, E. C. Fortin, P. Fukazawa, Y. Fusco, P. Gargano, F. Germani, S. Giglietto, N. Giordano, F. Giroletti, M. Glanzman, T. Godfrey, G. Grillo, L. Grove, J. E. Gruber, D. Guiriec, S. Hadasch, D. Hayashida, M. Hays, E. Horan, D. Iafrate, G. Johannesson, G. Johnson, A. S. Johnson, W. N. Kamae, T. Kippen, R. M. Knoedlseder, J. Kuss, M. Lande, J. Latronico, L. Longo, F. Loparco, F. Lott, B. Lovellette, M. N. Lubrano, P. Mazziotta, M. N. McEnery, J. E. Meegan, C. Mehault, J. Michelson, P. F. Mitthumsiri, W. Monte, C. Monzani, M. E. Morselli, A. Moskalenko, I. V. Murgia, S. Murphy, R. Naumann-Godo, M. Nuss, E. Nymark, T. Ohno, M. Ohsugi, T. Okumura, A. Omodei, N. Orlando, E. Paciesas, W. S. Panetta, J. H. Parent, D. Pesce-Rollins, M. Petrosian, V. Pierbattista, M. Piron, F. Pivato, G. Poon, H. Porter, T. A. Preece, R. Raino, S. Rando, R. Razzano, M. Razzaque, S. Reimer, A. Reimer, O. Ritz, S. Sbarra, C. Schwartz, R. A. Sgro, C. Share, G. H. Siskind, E. J. Spinelli, P. Takahashi, H. Tanaka, T. Tanaka, Y. Thayer, J. B. Tibaldo, L. Tinivella, M. Tolbert, A. K. Tosti, G. Troja, E. Uchiyama, Y. Usher, T. L. Vandenbroucke, J. Vasileiou, V. Vianello, G. Vitale, V. von Kienlin, A. Waite, A. P. Wilson-Hodge, C. Wood, D. L. Wood, K. S. Yang, Z. TI FERMI DETECTION OF gamma-RAY EMISSION FROM THE M2 SOFT X-RAY FLARE ON 2010 JUNE 12f SO ASTROPHYSICAL JOURNAL LA English DT Article DE acceleration of particles; Sun: flares; Sun: particle emission; Sun: X-rays, gamma rays ID ACCELERATED-PARTICLE INTERACTIONS; LARGE-AREA TELESCOPE; HIGH-ENERGY-NEUTRON; SOLAR-FLARES; BURST MONITOR; ELECTRONS; SPECTROSCOPY; CALIBRATION; ABUNDANCES; COMPTON AB The Geostationary Operational Environmental Satellite (GOES) M2-class solar flare, SOL2010-06-12T00: 57, was modest in many respects yet exhibited remarkable acceleration of energetic particles. The flare produced an similar to 50 s impulsive burst of hard X-and gamma-ray emission up to at least 400 MeV observed by the Fermi Gamma-ray Burst Monitor and Large Area Telescope experiments. The remarkably similar hard X-ray and high-energy gamma-ray time profiles suggest that most of the particles were accelerated to energies greater than or similar to 300 MeV with a delay of similar to 10 s from mildly relativistic electrons, but some reached these energies in as little as similar to 3 s. The gamma-ray line fluence from this flare was about 10 times higher than that typically observed from this modest GOES class of X-ray flare. There is no evidence for time-extended >100 MeV emission as has been found for other flares with high-energy gamma-rays. C1 [Ackermann, M.] Deutsch Elektronen Synchrotron DESY, D-15738 Zeuthen, Germany. [Ajello, M.; Allafort, A.; Bechtol, K.; Blandford, R. D.; Borgland, A. W.; Buehler, R.; Cameron, R. A.; Charles, E.; Chiang, J.; Claus, R.; Digel, S. W.; do Couto e Silva, E.; Drell, P. S.; Drlica-Wagner, A.; Dubois, R.; Glanzman, T.; Godfrey, G.; Grillo, L.; Hayashida, M.; Johnson, A. S.; Kamae, T.; Lande, J.; Michelson, P. F.; Mitthumsiri, W.; Monzani, M. E.; Moskalenko, I. V.; Murgia, S.; Okumura, A.; Omodei, N.; Orlando, E.; Panetta, J. H.; Petrosian, V.; Porter, T. A.; Reimer, A.; Reimer, O.; Tanaka, T.; Thayer, J. B.; Uchiyama, Y.; Usher, T. L.; Vandenbroucke, J.; Vianello, G.; Waite, A. P.] Stanford Univ, Dept Phys, WW Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. [Ajello, M.; Allafort, A.; Bechtol, K.; Blandford, R. D.; Borgland, A. W.; Buehler, R.; Cameron, R. A.; Charles, E.; Chiang, J.; Claus, R.; Digel, S. W.; do Couto e Silva, E.; Drell, P. S.; Drlica-Wagner, A.; Dubois, R.; Glanzman, T.; Godfrey, G.; Grillo, L.; Hayashida, M.; Johnson, A. S.; Kamae, T.; Lande, J.; Michelson, P. F.; Mitthumsiri, W.; Monzani, M. E.; Moskalenko, I. V.; Murgia, S.; Okumura, A.; Omodei, N.; Orlando, E.; Panetta, J. H.; Petrosian, V.; Porter, T. A.; Reimer, A.; Reimer, O.; Tanaka, T.; Thayer, J. B.; Uchiyama, Y.; Usher, T. L.; Vandenbroucke, J.; Vianello, G.; Waite, A. P.] Stanford Univ, SLAC Natl Accelerator Lab, Stanford, CA 94305 USA. [Atwood, W. B.; Razzano, M.; Ritz, S.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Atwood, W. B.; Razzano, M.; Ritz, S.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Baldini, L.; Bellazzini, R.; Bregeon, J.; Kuss, M.; Pesce-Rollins, M.; Razzano, M.; Sgro, C.; Tinivella, M.] Ist Nazl Fis Nucl, Sez Pisa, I-56127 Pisa, Italy. [Barbiellini, G.; Iafrate, G.; Longo, F.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Barbiellini, G.; Longo, F.] Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. [Bastieri, D.; Buson, S.; Rando, R.; Sbarra, C.; Tibaldo, L.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Bastieri, D.; Buson, S.; Pivato, G.; Poon, H.; Rando, R.; Tibaldo, L.] Univ Padua, Dipartimento Fis G Galilei, I-35131 Padua, Italy. [Bhat, P. N.; Briggs, M. S.; Burgess, J. M.; Connaughton, V.; Guiriec, S.; Paciesas, W. S.; Preece, R.] Univ Alabama, CSPAR, Huntsville, AL 35899 USA. [Bonamente, E.; Cecchi, C.; Germani, S.; Lubrano, P.; Tosti, G.] Ist Nazl Fis Nucl, Sez Perugia, I-06123 Perugia, Italy. [Bonamente, E.; Cecchi, C.; Ciprini, S.; Germani, S.; Lubrano, P.; Tosti, G.] Univ Perugia, Dipartimento Fis, I-06123 Perugia, Italy. [Brigida, M.; de Palma, F.; Favuzzi, C.; Fusco, P.; Giglietto, N.; Giordano, F.; Loparco, F.; Monte, C.; Raino, S.; Spinelli, P.] Univ Bari, Dipartimento Fis M Merlin, I-70126 Bari, Italy. [Brigida, M.; de Palma, F.; Favuzzi, C.; Fusco, P.; Giglietto, N.; Giordano, F.; Loparco, F.; Monte, C.; Raino, S.; Spinelli, P.] Politecn Bari, I-70126 Bari, Italy. [Brigida, M.; de Palma, F.; Favuzzi, C.; Fusco, P.; Gargano, F.; Giglietto, N.; Giordano, F.; Loparco, F.; Mazziotta, M. N.; Monte, C.; Raino, S.; Spinelli, P.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Bruel, P.; Fegan, S. J.; Fortin, P.; Horan, D.] Ecole Polytech, CNRS, IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Caliandro, G. A.; Hadasch, D.] Inst Ciencies Espai IEEE CSIC, Barcelona 08193, Spain. [Casandjian, J. M.; Naumann-Godo, M.; Pierbattista, M.] Univ Paris Diderot, La AIM, CEA IRFU, CNRS,Serv Astrophys,CEA Saclay, F-91191 Gif Sur Yvette, France. [Chekhtman, A.] Artep Inc, Ellicott City, MD 21042 USA. [Cutini, S.] ASI, Sci Data Ctr, I-00044 Rome, Italy. [Cohen-Tanugi, J.; Mehault, J.; Nuss, E.; Piron, F.; Vasileiou, V.] Univ Montpellier 2, Lab Univers & Particules Montpellier, CNRS, IN2P3, Montpellier, France. [Conrad, J.; Yang, Z.] Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. [Conrad, J.; Nymark, T.; Yang, Z.] Oskar Klein Ctr Cosmoparticle Phys, SE-10691 Stockholm, Sweden. [Dennis, B. R.; Ferrara, E. C.; Hays, E.; McEnery, J. E.; Schwartz, R. A.; Tolbert, A. K.; Troja, E.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Dermer, C. D.; Grove, J. E.; Johnson, W. N.; Lovellette, M. N.; Murphy, R.; Wood, K. S.] USN, Div Space Sci, Res Lab, Washington, DC 20375 USA. [Fukazawa, Y.] Hiroshima Univ, Dept Phys Sci, Hiroshima 7398526, Japan. [Giroletti, M.] INAF Ist Radioastron, I-40129 Bologna, Italy. [Gruber, D.; Orlando, E.; von Kienlin, A.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Hayashida, M.] Kyoto Univ, Grad Sch Sci, Dept Astron, Sakyo Ku, Kyoto 6068502, Japan. [Iafrate, G.] Ist Nazl Astrofis, Osservatorio Astron Trieste, I-34143 Trieste, Italy. [Johannesson, G.] Univ Iceland, Inst Sci, IS-107 Reykjavik, Iceland. [Kippen, R. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Knoedlseder, J.] IRAP, CNRS, F-31028 Toulouse 4, France. [Knoedlseder, J.] Univ Toulouse, GAHEC, UPS OMP, IRAP, Toulouse, France. [Latronico, L.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Lott, B.] Univ Bordeaux 1, CNRS, IN2P3, CEN Bordeaux Gradignan, F-33175 Gradignan, France. [McEnery, J. E.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [McEnery, J. E.; Share, G. H.] Univ Maryland, Dept Astron, College Pk, MD 20742 USA. [Meegan, C.] Univ Space Res Assoc, Columbia, MD 21044 USA. [Morselli, A.; Vitale, V.] Ist Nazl Fis Nucl, Sez Roma Tor Vergata, I-00133 Rome, Italy. [Nymark, T.] Royal Inst Technol KTH, Dept Phys, SE-10691 Stockholm, Sweden. [Ohno, M.; Okumura, A.; Tanaka, Y.] JAXA, Inst Space & Astronaut Sci, Chuo Ku, Sagamihara, Kanagawa 2525210, Japan. [Ohsugi, T.; Takahashi, H.] Hiroshima Univ, Hiroshima Astrophys Sci Ctr, Hiroshima 7398526, Japan. [Parent, D.; Razzaque, S.] George Mason Univ, Ctr Earth Observing & Space Res, Coll Sci, Fairfax, VA 22030 USA. [Reimer, A.; Reimer, O.] Leopold Franzens Univ Innsbruck, Inst Astro & Teilchenphys, A-6020 Innsbruck, Austria. [Reimer, A.; Reimer, O.] Leopold Franzens Univ Innsbruck, Inst Theoret Phys, A-6020 Innsbruck, Austria. [Siskind, E. J.] NYCB Real Time Comp Inc, Lattingtown, NY 11560 USA. [Vianello, G.] CIFS, I-10133 Turin, Italy. [Vitale, V.] Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy. [Wilson-Hodge, C.] NASA, George C Marshall Space Flight Ctr, Huntsville, AL 35812 USA. [Wood, D. L.] Praxis Inc, Alexandria, VA 22303 USA. RP Ackermann, M (reprint author), Deutsch Elektronen Synchrotron DESY, D-15738 Zeuthen, Germany. EM michael.briggs@nasa.gov; dgruber@mpe.mpg.de; francesco.longo@trieste.infn.it; nicola.omodei@gmail.com; gerald.share@nrl.navy.mil RI Dennis, Brian/C-9511-2012; McEnery, Julie/D-6612-2012; Baldini, Luca/E-5396-2012; lubrano, pasquale/F-7269-2012; Kuss, Michael/H-8959-2012; giglietto, nicola/I-8951-2012; Morselli, Aldo/G-6769-2011; Reimer, Olaf/A-3117-2013; Tosti, Gino/E-9976-2013; Rando, Riccardo/M-7179-2013; Johnson, Neil/G-3309-2014; Johannesson, Gudlaugur/O-8741-2015; Loparco, Francesco/O-8847-2015; Gargano, Fabio/O-8934-2015; Moskalenko, Igor/A-1301-2007; Mazziotta, Mario /O-8867-2015; Sgro, Carmelo/K-3395-2016; Orlando, E/R-5594-2016 OI lubrano, pasquale/0000-0003-0221-4806; giglietto, nicola/0000-0002-9021-2888; Morselli, Aldo/0000-0002-7704-9553; Reimer, Olaf/0000-0001-6953-1385; Johannesson, Gudlaugur/0000-0003-1458-7036; Loparco, Francesco/0000-0002-1173-5673; Gargano, Fabio/0000-0002-5055-6395; Moskalenko, Igor/0000-0001-6141-458X; Mazziotta, Mario /0000-0001-9325-4672; FU K. A. Wallenberg Foundation; Fermi GI program FX Royal Swedish Academy of Sciences Research Fellow, funded by a grant from the K. A. Wallenberg Foundation.; We thank the referee for suggesting a more detailed examination of the delay between the hard X-ray bremsstrahlung and >30 MeV emission observed by LAT. The Fermi LAT Collaboration acknowledges generous ongoing support from a number of agencies and institutes that have supported both the development and the operation of the LAT as well as scientific data analysis. These include the National Aeronautics and Space Administration and the Department of Energy in the United States, the Commissariat a l'Energie Atomique and the Centre National de la Recherche Scientifique/Institut National de Physique Nucleaire et de Physique des Particules in France, the Agenzia Spaziale Italiana and the Istituto Nazionale di Fisica Nucleare in Italy, the Ministry of Education, Culture, Sports, Science and Technology (MEXT), High Energy Accelerator Research Organization (KEK) and Japan Aerospace Exploration Agency (JAXA) in Japan, and the K. A. Wallenberg Foundation, the Swedish Research Council and the Swedish National Space Board in Sweden.; Co-authors Briggs, Murphy, Schwartz, Share, and Tolbert were partially funded by the Fermi GI program to conduct the joint spectroscopic studies presented in this paper. NR 45 TC 27 Z9 27 U1 0 U2 7 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 FEB 1 PY 2012 VL 745 IS 2 AR 144 DI 10.1088/0004-637X/745/2/144 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800042 ER PT J AU Beiersdorfer, P Diaz, F Ishikawa, Y AF Beiersdorfer, P. Diaz, F. Ishikawa, Y. TI THEORETICAL WAVELENGTHS OF Fe XVI L-SHELL TRANSITIONS AND COMPARISON WITH LABORATORY MEASUREMENTS AND CHANDRA OBSERVATIONS OF CAPELLA SO ASTROPHYSICAL JOURNAL LA English DT Article DE atomic processes; line: formation; stars: coronae; stars: individual (Capella); Sun: X-rays, gamma rays; X-rays: general ID X-RAY-SPECTRUM; PERTURBATION-THEORY APPROACH; IONS; ASTROPHYSICS; ANGSTROM; IRON AB We have used the relativistic multi-reference Moller-Plesset perturbation theory to calculate the energy levels of Fe XVI, including those of the autoionizing levels with a hole state in the L shell. Comparison of the resulting L-shell transition wavelengths with those from recent laboratory measurements shows remarkable agreement, i.e., agreement within the experimental uncertainties. Our calculation allows us to predict the wavelength of the second strongest 2p-3d Fe XVI line, which has not yet been directly observed in the laboratory, to be 15.266 angstrom. This wavelength is within 0.0042 angstrom of the strong Fe XVII line commonly labeled 3D. Relying on the high accuracy of our calculations, we have reassigned two previously identified lines and predict a different location than previously thought for the strongest Fe XVI magnetic quadrupole transition. Inspection of the spectra of Capella recorded with the transmission grating spectrometers on the Chandra X-ray Observatory yields features corresponding to the predicted location of the innershell excited Fe XVI lines. These features have not been identified before. Our analysis shows that these features are most likely from Fe XVI. C1 [Beiersdorfer, P.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. [Diaz, F.; Ishikawa, Y.] Univ Puerto Rico, Dept Chem, San Juan, PR 00931 USA. [Diaz, F.; Ishikawa, Y.] Univ Puerto Rico, Chem Phys Program, San Juan, PR 00931 USA. RP Beiersdorfer, P (reprint author), Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. FU Department of Energy [DE-AC52-07NA-27344]; NASA [NNG07WF05I]; Chandra Research Award [AR1-12006X] FX Work by the Lawrence Livermore National Laboratory was performed under the auspices of the Department of Energy under Contract No. DE-AC52-07NA-27344. This work was supported by NASA Astronomy and Physics Research and Analysis contract NNG07WF05I and Chandra Research Award AR1-12006X. We are very grateful to Dr. Ming Feng Gu for providing us with copies of the summed and fitted Capella spectra and thank Mr. Maximilian Bode for preparing part of the figures and tables. NR 26 TC 11 Z9 11 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 FEB 1 PY 2012 VL 745 IS 2 AR 167 DI 10.1088/0004-637X/745/2/167 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800065 ER PT J AU Borucki, WJ Koch, DG Batalha, N Bryson, ST Rowe, J Fressin, F Torres, G Caldwell, DA Christensen-Dalsgaard, J Cochran, WD DeVore, E Gautier, TN Geary, JC Gilliland, R Gould, A Howell, SB Jenkins, JM Latham, DW Lissauer, JJ Marcy, GW Sasselov, D Boss, A Charbonneau, D Ciardi, D Kaltenegger, L Doyle, L Dupree, AK Ford, EB Fortney, J Holman, MJ Steffen, JH Mullally, F Still, M Tarter, J Ballard, S Buchhave, LA Carter, J Christiansen, JL Demory, BO Desert, JM Dressing, C Endl, M Fabrycky, D Fischer, D Haas, MR Henze, C Horch, E Howard, AW Isaacson, H Kjeldsen, H Johnson, JA Klaus, T Kolodziejczak, J Barclay, T Li, J Meibom, S Prsa, A Quinn, SN Quintana, EV Robertson, P Sherry, W Shporer, A Tenenbaum, P Thompson, SE Twicken, JD Van Cleve, J Welsh, WF Basu, S Chaplin, W Miglio, A Kawaler, SD Arentoft, T Stello, D Metcalfe, TS Verner, GA Karoff, C Lundkvist, M Lund, MN Handberg, R Elsworth, Y Hekker, S Huber, D Bedding, TR Rapin, W AF Borucki, William J. Koch, David G. Batalha, Natalie Bryson, Stephen T. Rowe, Jason Fressin, Francois Torres, Guillermo Caldwell, Douglas A. Christensen-Dalsgaard, Jorgen Cochran, William D. DeVore, Edna Gautier, Thomas N., III Geary, John C. Gilliland, Ronald Gould, Alan Howell, Steve B. Jenkins, Jon M. Latham, David W. Lissauer, Jack J. Marcy, Geoffrey W. Sasselov, Dimitar Boss, Alan Charbonneau, David Ciardi, David Kaltenegger, Lisa Doyle, Laurance Dupree, Andrea K. Ford, Eric B. Fortney, Jonathan Holman, Matthew J. Steffen, Jason H. Mullally, Fergal Still, Martin Tarter, Jill Ballard, Sarah Buchhave, Lars A. Carter, Josh Christiansen, Jessie L. Demory, Brice-Olivier Desert, Jean-Michel Dressing, Courtney Endl, Michael Fabrycky, Daniel Fischer, Debra Haas, Michael R. Henze, Christopher Horch, Elliott Howard, Andrew W. Isaacson, Howard Kjeldsen, Hans Johnson, John Asher Klaus, Todd Kolodziejczak, Jeffery Barclay, Thomas Li, Jie Meibom, Soren Prsa, Andrej Quinn, Samuel N. Quintana, Elisa V. Robertson, Paul Sherry, William Shporer, Avi Tenenbaum, Peter Thompson, Susan E. Twicken, Joseph D. Van Cleve, Jeffrey Welsh, William F. Basu, Sarbani Chaplin, William Miglio, Andrea Kawaler, Steven D. Arentoft, Torben Stello, Dennis Metcalfe, Travis S. Verner, Graham A. Karoff, Christoffer Lundkvist, Mia Lund, Mikkel N. Handberg, Rasmus Elsworth, Yvonne Hekker, Saskia Huber, Daniel Bedding, Timothy R. Rapin, William TI Kepler-22b: A 2.4 EARTH-RADIUS PLANET IN THE HABITABLE ZONE OF A SUN-LIKE STAR SO ASTROPHYSICAL JOURNAL LA English DT Article DE planetary systems; stars: fundamental parameters; stars: individual (Kepler-22, KIC 10593626) ID MAIN-SEQUENCE STARS; TRANSIT TIMING VARIATIONS; INITIAL CHARACTERISTICS; TERRESTRIAL PLANETS; ASTEROSEISMIC DATA; FALSE POSITIVES; SPACE-TELESCOPE; BLEND SCENARIOS; MULTIPLE SYSTEM; CADENCE DATA AB A search of the time-series photometry from NASA's Kepler spacecraft reveals a transiting planet candidate orbiting the 11th magnitude G5 dwarf KIC 10593626 with a period of 290 days. The characteristics of the host star are well constrained by high-resolution spectroscopy combined with an asteroseismic analysis of the Kepler photometry, leading to an estimated mass and radius of 0.970 +/- 0.060 M-circle dot and 0.979 +/- 0.020 R-circle dot. The depth of 492 +/- 10 ppm for the three observed transits yields a radius of 2.38 +/- 0.13 Re for the planet. The system passes a battery of tests for false positives, including reconnaissance spectroscopy, high-resolution imaging, and centroid motion. A full BLENDER analysis provides further validation of the planet interpretation by showing that contamination of the target by an eclipsing system would rarely mimic the observed shape of the transits. The final validation of the planet is provided by 16 radial velocities (RVs) obtained with the High Resolution Echelle Spectrometer on Keck I over a one-year span. Although the velocities do not lead to a reliable orbit and mass determination, they are able to constrain the mass to a 3 sigma upper limit of 124 M-circle plus, safely in the regime of planetary masses, thus earning the designation Kepler-22b. The radiative equilibrium temperature is 262 K for a planet in Kepler-22b's orbit. Although there is no evidence that Kepler-22b is a rocky planet, it is the first confirmed planet with a measured radius to orbit in the habitable zone of any star other than the Sun. C1 [Borucki, William J.; Klaus, Todd] NASA, Ames Res Ctr, Orbital Sci Corp, Moffett Field, CA 94035 USA. [Batalha, Natalie] San Jose State Univ, Dept Phys & Astron, San Jose, CA 95192 USA. [Rowe, Jason; Caldwell, Douglas A.; DeVore, Edna; Jenkins, Jon M.; Doyle, Laurance; Mullally, Fergal; Tarter, Jill; Christiansen, Jessie L.; Li, Jie; Quintana, Elisa V.; Tenenbaum, Peter; Thompson, Susan E.; Twicken, Joseph D.; Van Cleve, Jeffrey] SETI Inst, Mountain View, CA 94043 USA. [Fressin, Francois; Torres, Guillermo; Geary, John C.; Latham, David W.; Sasselov, Dimitar; Charbonneau, David; Dupree, Andrea K.; Holman, Matthew J.; Ballard, Sarah; Desert, Jean-Michel; Dressing, Courtney; Meibom, Soren; Quinn, Samuel N.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Christensen-Dalsgaard, Jorgen; Kjeldsen, Hans; Arentoft, Torben; Karoff, Christoffer; Lundkvist, Mia; Lund, Mikkel N.; Handberg, Rasmus] Aarhus Univ, Dept Phys & Astron, DK-8000 Aarhus C, Denmark. [Christensen-Dalsgaard, Jorgen] Natl Ctr Atmospher Res, High Altitude Observ, Boulder, CO 80307 USA. [Cochran, William D.; Endl, Michael; Robertson, Paul] Univ Texas Austin, McDonald Observ, Austin, TX 78712 USA. [Gautier, Thomas N., III; Johnson, John Asher] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Gilliland, Ronald] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Marcy, Geoffrey W.; Howard, Andrew W.; Isaacson, Howard] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Boss, Alan] Carnegie Inst Sci, Dept Terr Magnetism, Washington, DC 20015 USA. [Ciardi, David] CALTECH, Exoplanet Sci Inst, Pasadena, CA 91125 USA. [Kaltenegger, Lisa] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Ford, Eric B.] Univ Florida, Dept Astron, Gainesville, FL 32611 USA. [Fortney, Jonathan; Fabrycky, Daniel] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Steffen, Jason H.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Still, Martin; Barclay, Thomas] Bay Area Environm Res Inst, Moffett Field, CA 94035 USA. [Buchhave, Lars A.] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Buchhave, Lars A.] Univ Copenhagen, Ctr Star & Planet Format, Nat Hist Museum Denmark, DK-1350 Copenhagen, Denmark. [Carter, Josh; Demory, Brice-Olivier] MIT, Cambridge, MA 02139 USA. [Fischer, Debra; Basu, Sarbani] Yale Univ, Dept Astron, New Haven, CT 06520 USA. [Welsh, William F.] San Diego State Univ, Dept Astron, San Diego, CA 92182 USA. [Horch, Elliott] So Connecticut State Univ, Dept Phys, New Haven, CT 06515 USA. [Kolodziejczak, Jeffery] MSFC, Huntsville, AL 35805 USA. [Prsa, Andrej] Villanova Univ, Dept Astron & Astrophys, Villanova, PA 19085 USA. [Sherry, William] Natl Opt Astron Observ, Tucson, AZ 85719 USA. [Shporer, Avi] Las Cumbres Observ, Goleta, CA 93117 USA. [Chaplin, William; Miglio, Andrea; Verner, Graham A.; Elsworth, Yvonne; Hekker, Saskia] Univ Birmingham, Sch Phys & Astron, Birmingham B15 2TT, W Midlands, England. [Kawaler, Steven D.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50014 USA. [Stello, Dennis; Huber, Daniel; Bedding, Timothy R.] Univ Sydney, Sydney Inst Astron, Sch Phys, Sydney, NSW 2006, Australia. [Metcalfe, Travis S.] White Dwarf Res Corp, Boulder, CO 80301 USA. [Hekker, Saskia] Univ Amsterdam, Astron Inst Anton Pannekoek, NL-1098 XH Amsterdam, Netherlands. [Rapin, William] Ctr Spatial Toulouse, Ctr Natl Etud Spatiales, F-31401 Toulouse, France. RP Borucki, WJ (reprint author), NASA, Ames Res Ctr, Orbital Sci Corp, Moffett Field, CA 94035 USA. EM William.J.Borucki@nasa.gov RI Caldwell, Douglas/L-7911-2014; Howard, Andrew/D-4148-2015; OI Lundkvist, Mia Sloth/0000-0002-8661-2571; Fischer, Debra/0000-0003-2221-0861; Handberg, Rasmus/0000-0001-8725-4502; Kawaler, Steven/0000-0002-6536-6367; Fabrycky, Daniel/0000-0003-3750-0183; Basu, Sarbani/0000-0002-6163-3472; Buchhave, Lars A./0000-0003-1605-5666; Caldwell, Douglas/0000-0003-1963-9616; /0000-0001-6545-639X; Howard, Andrew/0000-0001-8638-0320; Lund, Mikkel Norup/0000-0001-9214-5642; Fortney, Jonathan/0000-0002-9843-4354; Bedding, Timothy/0000-0001-5943-1460; Metcalfe, Travis/0000-0003-4034-0416; Ciardi, David/0000-0002-5741-3047; Karoff, Christoffer/0000-0003-2009-7965; Bedding, Tim/0000-0001-5222-4661; Demory, Brice-Olivier/0000-0002-9355-5165 FU NASA's Science Mission Directorate; W. M. Keck Foundation; NASA; NASA through JPL/Caltech; National Center for Atmospheric Research; National Science Foundation; Netherlands Organisation for Scientific Research (NWO) FX Kepler was competitively selected as the tenth Discovery mission. Funding for this mission is provided by NASA's Science Mission Directorate. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration. The Keck Observatory was made possible by the generous financial support of the W. M. Keck Foundation. Some of the observations were made with the Spitzer Space Telescope, which is operated by the Jet Propulsion Laboratory, California Institute of Technology under a contract with NASA. Support for this work was provided by NASA through an award issued by JPL/Caltech. Additional support for this work was also received from National Center for Atmospheric Research which is sponsored by the National Science Foundation. The authors thank the many people who gave so generously of their time to make this Mission a success. S. H. acknowledges financial support from the Netherlands Organisation for Scientific Research (NWO). NR 83 TC 139 Z9 139 U1 5 U2 60 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 FEB 1 PY 2012 VL 745 IS 2 AR 120 DI 10.1088/0004-637X/745/2/120 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800018 ER PT J AU Gando, A Gando, Y Ichimura, K Ikeda, H Inoue, K Kibe, Y Kishimoto, Y Koga, M Minekawa, Y Mitsui, T Morikawa, T Nagai, N Nakajima, K Nakamura, K Narita, K Shimizu, I Shimizu, Y Shirai, J Suekane, F Suzuki, A Takahashi, H Takahashi, N Takemoto, Y Tamae, K Watanabe, H Xu, BD Yabumoto, H Yoshida, H Yoshida, S Enomoto, S Kozlov, A Murayama, H Grant, C Keefer, G Piepke, A Banks, TI Bloxham, T Detwiler, JA Freedman, SJ Fujikawa, BK Han, K Kadel, R O'Donnell, T Steiner, HM Dwyer, DA McKeown, RD Zhang, C Berger, BE Lane, CE Maricic, J Miletic, T Batygov, M Learned, JG Matsuno, S Sakai, M Horton-Smith, GA Downum, KE Gratta, G Efremenko, Y Kamyshkov, Y Perevozchikov, O Karwowski, HJ Markoff, DM Tornow, W Heeger, KM Decowski, MP AF Gando, A. Gando, Y. Ichimura, K. Ikeda, H. Inoue, K. Kibe, Y. Kishimoto, Y. Koga, M. Minekawa, Y. Mitsui, T. Morikawa, T. Nagai, N. Nakajima, K. Nakamura, K. Narita, K. Shimizu, I. Shimizu, Y. Shirai, J. Suekane, F. Suzuki, A. Takahashi, H. Takahashi, N. Takemoto, Y. Tamae, K. Watanabe, H. Xu, B. D. Yabumoto, H. Yoshida, H. Yoshida, S. Enomoto, S. Kozlov, A. Murayama, H. Grant, C. Keefer, G. Piepke, A. Banks, T. I. Bloxham, T. Detwiler, J. A. Freedman, S. J. Fujikawa, B. K. Han, K. Kadel, R. O'Donnell, T. Steiner, H. M. Dwyer, D. A. McKeown, R. D. Zhang, C. Berger, B. E. Lane, C. E. Maricic, J. Miletic, T. Batygov, M. Learned, J. G. Matsuno, S. Sakai, M. Horton-Smith, G. A. Downum, K. E. Gratta, G. Efremenko, Y. Kamyshkov, Y. Perevozchikov, O. Karwowski, H. J. Markoff, D. M. Tornow, W. Heeger, K. M. Decowski, M. P. TI SEARCH FOR EXTRATERRESTRIAL ANTINEUTRINO SOURCES WITH THE KamLAND DETECTOR SO ASTROPHYSICAL JOURNAL LA English DT Article DE dark matter; ISM: supernova remnants; neutrinos; Sun: particle emission ID NEUTRON FISSION-PRODUCTS; SOLAR; MODELS; SUPERNOVAE; SCATTERING; NEUTRINOS; SPECTRUM AB We present the results of a search for extraterrestrial electron antineutrinos ((nu) over bar (e)'s) in the energy range 8.3 MeV E-<(nu) over bare < 31.8 MeV using the KamLAND detector. In an exposure of 4.53 kton-year, we identify 25 candidate events. All of the candidate events can be attributed to background, most importantly neutral current atmospheric neutrino interactions, setting an upper limit on the probability of B-8 solar nu(e)'s converting into nu(e)'s at 5.3 x 10(-5) (90% CL), if we assume an undistorted nu(e) shape. This limit corresponds to a solar nu(e) flux of 93 cm(-2) s(-1) or an event rate of 1.6 events (kton-year)(-1) above the energy threshold (E-<(nu)over bar>e >= 8.3 MeV). The present data also allows us to set more stringent limits on the diffuse supernova neutrino flux and on the annihilation rates for light dark matter particles. C1 [Gando, A.; Gando, Y.; Ichimura, K.; Ikeda, H.; Inoue, K.; Kibe, Y.; Kishimoto, Y.; Koga, M.; Minekawa, Y.; Mitsui, T.; Morikawa, T.; Nagai, N.; Nakajima, K.; Nakamura, K.; Narita, K.; Shimizu, I.; Shimizu, Y.; Shirai, J.; Suekane, F.; Suzuki, A.; Takahashi, H.; Takahashi, N.; Takemoto, Y.; Tamae, K.; Watanabe, H.; Xu, B. D.; Yabumoto, H.; Yoshida, H.; Yoshida, S.] Tohoku Univ, Res Ctr Neutrino Sci, Sendai, Miyagi 9808578, Japan. [Inoue, K.; Koga, M.; Nakamura, K.; Enomoto, S.; Kozlov, A.; Murayama, H.; Piepke, A.; Freedman, S. J.; Fujikawa, B. K.; Horton-Smith, G. A.; Efremenko, Y.; Heeger, K. M.; Decowski, M. P.] Univ Tokyo, Inst Phys & Math Universe, Kashiwa, Chiba 2778568, Japan. [Grant, C.; Keefer, G.; Piepke, A.] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Murayama, H.; Banks, T. I.; Bloxham, T.; Detwiler, J. A.; Freedman, S. J.; Fujikawa, B. K.; Han, K.; Kadel, R.; O'Donnell, T.; Steiner, H. M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Murayama, H.; Banks, T. I.; Bloxham, T.; Detwiler, J. A.; Freedman, S. J.; Fujikawa, B. K.; Han, K.; Kadel, R.; O'Donnell, T.; Steiner, H. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Dwyer, D. A.; McKeown, R. D.; Zhang, C.] CALTECH, WK Kellogg Radiat Lab, Pasadena, CA 91125 USA. [Berger, B. E.] Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. [Lane, C. E.; Maricic, J.; Miletic, T.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. [Batygov, M.; Learned, J. G.; Matsuno, S.; Sakai, M.] Univ Hawaii Manoa, Dept Phys & Astron, Honolulu, HI 96822 USA. [Horton-Smith, G. A.] Kansas State Univ, Dept Phys, Manhattan, KS 66506 USA. [Downum, K. E.; Gratta, G.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Efremenko, Y.; Kamyshkov, Y.; Perevozchikov, O.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Karwowski, H. J.; Markoff, D. M.; Tornow, W.] Triangle Univ Nucl Lab, Durham, NC 27708 USA. [Karwowski, H. J.; Markoff, D. M.; Tornow, W.] Duke Univ, Dept Phys, Durham, NC 27708 USA. [Karwowski, H. J.; Markoff, D. M.; Tornow, W.] N Carolina Cent Univ, Dept Phys, Durham, NC 27707 USA. [Karwowski, H. J.; Markoff, D. M.; Tornow, W.] Univ N Carolina, Dept Phys, Chapel Hill, NC 27599 USA. [Heeger, K. M.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Decowski, M. P.] Nikhef, Amsterdam, Netherlands. [Enomoto, S.] Univ Washington, Ctr Expt Nucl Phys & Astrophys, Seattle, WA 98195 USA. RP Gando, A (reprint author), Tohoku Univ, Res Ctr Neutrino Sci, Sendai, Miyagi 9808578, Japan. RI Murayama, Hitoshi/A-4286-2011; Horton-Smith, Glenn/A-4409-2011; Kamyshkov, Yuri/J-7999-2016; Han, Ke/D-3697-2017 OI Horton-Smith, Glenn/0000-0001-9677-9167; Kamyshkov, Yuri/0000-0002-3789-7152; Han, Ke/0000-0002-1609-7367 FU Japanese Ministry of Education, Culture, Sports, Science and Technology [16002002]; World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan; U.S. Department of Energy (DOE) [DE-FG03-00ER41138, DE-AC02-05CH11231, DE-FG02-01ER41166]; DOE FX The KamLAND experiment is supported by the Grant-in-Aid for Specially Promoted Research under grant no. 16002002 of the Japanese Ministry of Education, Culture, Sports, Science and Technology; the World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan; and under the U.S. Department of Energy (DOE) grant nos. DE-FG03-00ER41138, DE-AC02-05CH11231, and DE-FG02-01ER41166, as well as other DOE grants to individual institutions. The reactor data are provided by courtesy of the following electric associations in Japan: Hokkaido, Tohoku, Tokyo, Hokuriku, Chubu, Kansai, Chugoku, Shikoku, and Kyushu Electric Power Companies, Japan Atomic Power Company, and Japan Atomic Energy Agency. The Kamioka Mining and Smelting Company has provided service for activities in the mine. NR 39 TC 17 Z9 17 U1 2 U2 9 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 FEB 1 PY 2012 VL 745 IS 2 AR 193 DI 10.1088/0004-637X/745/2/193 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800091 ER PT J AU Joyce, CJ Smith, CW Isenberg, PA Gary, SP Murphy, N Gray, PC Burlaga, LF AF Joyce, Colin J. Smith, Charles W. Isenberg, Philip A. Gary, S. Peter Murphy, Neil Gray, Perry C. Burlaga, Leonard F. TI OBSERVATION OF BERNSTEIN WAVES EXCITED BY NEWBORN INTERSTELLAR PICKUP IONS IN THE SOLAR WIND SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmic rays; magnetic fields; turbulence; waves ID PROTON-BEAM GENERATION; MAGNETIC-FIELD; COMETARY ENVIRONMENT; OUTER HELIOSHEATH; WHISTLER WAVES; ULF WAVES; INSTABILITIES; FLUCTUATIONS; EXCITATION; TURBULENCE AB A recent examination of 1.9 s magnetic field data recorded by the Voyager 2 spacecraft in transit to Jupiter revealed several instances of strongly aliased spectra suggestive of unresolved high-frequency magnetic fluctuations at 4.4 AU. A closer examination of these intervals using the highest resolution data available revealed one clear instance of wave activity at spacecraft frame frequencies from 0.2 to 1 Hz. Using various analysis techniques, we have characterized these fluctuations as Bernstein mode waves excited by newborn interstellar pickup ions. We can find no other interpretation or source consistent with the observations, but this interpretation is not without questions. In this paper, we report a detailed analysis of the waves, including their frequency and polarization, that supports our interpretation. C1 [Joyce, Colin J.; Smith, Charles W.; Isenberg, Philip A.] Univ New Hampshire, Dept Phys, Ctr Space Sci, Durham, NH 03824 USA. [Gary, S. Peter] Los Alamos Natl Lab, Los Alamos, NM USA. [Murphy, Neil] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Burlaga, Leonard F.] NASA, Goddard Space Flight Ctr, Geospace Phys Lab, Greenbelt, MD 20771 USA. RP Joyce, CJ (reprint author), Univ New Hampshire, Dept Phys, Ctr Space Sci, Durham, NH 03824 USA. EM cjl46@unh.edu; Charles.Smith@unh.edu; Phil.Isenberg@unh.edu; pgary@lanl.gov; Neil.Murphy@jpl.nasa.gov; Perry.Gray@dtra.mil; lburlagahsp@verizon.net FU NASA [NNX07AH75G]; NSF [ATM0635863]; Caltech [44A1085631] FX This work was supported in part by NASA Guest Investigator grant NNX07AH75G and NSF grant ATM0635863. C. W. S. is supported by Caltech subcontract 44A1085631 to the University of New Hampshire in support of the ACE/MAG instrument. Part of the ACE mandate is to better understand the role of pickup ions in the heliosphere. Portions of this research were carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. C.J.J. was an undergraduate in the Physics program at UNH at the time this work was performed and is now a graduate student working within that same program. Perry Gray died unexpectedly just two weeks after this paper was first submitted to the journal. He was a bright and creative scientist who made lifelong friends everywhere he went. He will be greatly missed by friends and colleagues alike. NR 36 TC 10 Z9 10 U1 0 U2 4 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 FEB 1 PY 2012 VL 745 IS 2 AR 112 DI 10.1088/0004-637X/745/2/112 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800010 ER PT J AU Li, PS Martin, DF Klein, RI McKee, CF AF Li, Pak Shing Martin, Daniel F. Klein, Richard I. McKee, Christopher F. TI A STABLE, ACCURATE METHODOLOGY FOR HIGH MACH NUMBER, STRONG MAGNETIC FIELD MHD TURBULENCE WITH ADAPTIVE MESH REFINEMENT: RESOLUTION AND REFINEMENT STUDIES SO ASTROPHYSICAL JOURNAL LA English DT Article DE ISM: kinematics and dynamics; ISM: magnetic fields; magnetic fields; magnetohydrodynamics (MHD); methods: numerical; stars: formation; turbulence ID SELF-GRAVITATIONAL HYDRODYNAMICS; CONSTRAINED TRANSPORT METHOD; ENERGY-DISSIPATION RATE; UNSPLIT GODUNOV METHOD; IDEAL MAGNETOHYDRODYNAMICS; MOLECULAR CLOUDS; EULER EQUATIONS; NUMERICAL SIMULATIONS; STAR-FORMATION; SCHEME AB Performing a stable, long-duration simulation of driven MHD turbulence with a high thermal Mach number and a strong initial magnetic field is a challenge to high-order Godunov ideal MHD schemes because of the difficulty in guaranteeing positivity of the density and pressure. We have implemented a robust combination of reconstruction schemes, Riemann solvers, limiters, and constrained transport electromotive force averaging schemes that can meet this challenge, and using this strategy, we have developed a new adaptive mesh refinement (AMR) MHD module of the ORION2 code. We investigate the effects of AMR on several statistical properties of a turbulent ideal MHD system with a thermal Mach number of 10 and a plasma beta(0) of 0.1 as initial conditions; our code is shown to be stable for simulations with higher Mach numbers (M-rms = 17.3) and smaller plasma beta (beta(0) = 0.0067) as well. Our results show that the quality of the turbulence simulation is generally related to the volume-averaged refinement. Our AMR simulations show that the turbulent dissipation coefficient for supersonic MHD turbulence is about 0.5, in agreement with unigrid simulations. C1 [Li, Pak Shing; Klein, Richard I.; McKee, Christopher F.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Martin, Daniel F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Klein, Richard I.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [McKee, Christopher F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Li, PS (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM psli@astron.berkeley.edu; DFMartin@lbl.gov; klein@astron.berkeley.edu; cmckee@astro.berkeley.edu FU NASA through NASA ATP [NNX09AK31G]; US Department of Energy at the Lawrence Livermore National Laboratory [DE-AC52-07NA 27344]; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; NSF [AST-0908553]; LRAC from the NSF; NASA Advanced Computing (NAS) Division through NASA ATP FX We thank Brian Van Straalen for helping improve the scalability performance of the AMR Implementation of the MHD module of ORION2. We also thank Christoph Fedderath, Jim Stone, Alexei Kritsuk, and Tom Abel for helpful discussions and particularly an anonymous referee for helpful comments on the paper. Support for this research was provided by NASA through NASA ATP grant NNX09AK31G (R. I. K., C. F. M., and P. S. L.), the US Department of Energy at the Lawrence Livermore National Laboratory under contract DE-AC52-07NA 27344 (R. I. K.), the Lawrence Berkeley National Laboratory under contract DE-AC02-05CH11231 (D. F. M.), and the NSF through grant AST-0908553 (C. F. M. and R. I. K.). This research is also supported by an LRAC Teragrid grant of high performance computing from the NSF and the NASA Advanced Computing (NAS) Division through a NASA ATP grant. NR 58 TC 16 Z9 16 U1 0 U2 2 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 FEB 1 PY 2012 VL 745 IS 2 AR 139 DI 10.1088/0004-637X/745/2/139 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800037 ER PT J AU Raichoor, A Mei, S Stanford, SA Holden, BP Nakata, F Rosati, P Shankar, F Tanaka, M Ford, H Huertas-Company, M Illingworth, G Kodama, T Postman, M Rettura, A Blakeslee, JP Demarco, R Jee, MJ White, RL AF Raichoor, A. Mei, S. Stanford, S. A. Holden, B. P. Nakata, F. Rosati, P. Shankar, F. Tanaka, M. Ford, H. Huertas-Company, M. Illingworth, G. Kodama, T. Postman, M. Rettura, A. Blakeslee, J. P. Demarco, R. Jee, M. J. White, R. L. TI EARLY-TYPE GALAXIES AT z similar to 1.3. IV. SCALING RELATIONS IN DIFFERENT ENVIRONMENTS SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: clusters: individual (RX J0849+4452, RX J0848+4453); galaxies: elliptical and lenticular, cD; galaxies: evolution; galaxies: formation; galaxies: fundamental parameters; galaxies: high-redshift ID HIGH-REDSHIFT GALAXIES; DIGITAL SKY SURVEY; SUPERDENSE MASSIVE GALAXIES; COLOR-MAGNITUDE RELATION; STELLAR POPULATION SYNTHESIS; STAR-FORMATION HISTORIES; HUBBLE-SPACE-TELESCOPE; ORIGINS DEEP SURVEY; GOODS-SOUTH FIELD; ELLIPTIC GALAXIES AB We present the Kormendy and mass-size relations (MSR) for early-type galaxies (ETGs) as a function of environment at z similar to 1.3. Our sample includes 76 visually classified ETGs with masses 10(10) < M/M-circle dot < 10(11.5), selected in the Lynx supercluster and in the Great Observatories Origins Deep Survey/Chandra Deep Field South field; 31 ETGs in clusters, 18 in groups, and 27 in the field, all with multi-wavelength photometry and Hubble Space Telescope/Advanced Camera for Surveys observations. The Kormendy relation, in place at z similar to 1.3, does not depend on the environment. The MSR reveals that ETGs overall appear to be more compact in denser environments: cluster ETGs have sizes on average around 30%-50% smaller than those of the local universe and a distribution with a smaller scatter, whereas field ETGs show an MSR with a similar distribution to the local one. Our results imply that (1) the MSR in the field did not evolve overall from z similar to 1.3 to present; this is interesting and in contrast to the trend found at higher masses from previous works; (2) in denser environments, either ETGs have increased in size by 30%-50% on average and spread their distributions, or more ETGs have been formed within the dense environment from non-ETG progenitors, or larger galaxies have been accreted to a pristine compact population to reproduce the MSR observed in the local universe. Our results are driven by galaxies with masses M less than or similar to 2 x 10(11) M-circle dot and those with masses M similar to 10(11) M-circle dot follow the same trends as that of the entire sample. Following the Valentinuzzi et al. definition of superdense ETGs, similar to 35%-45% of our cluster sample is made up of superdense ETGs. C1 [Raichoor, A.; Mei, S.; Huertas-Company, M.] Observ Paris, GEPI, F-92190 Meudon, France. [Mei, S.; Huertas-Company, M.] Univ Paris Denis Diderot, F-75205 Paris 13, France. [Mei, S.] CALTECH, Pasadena, CA 91125 USA. [Stanford, S. A.; Rettura, A.; Jee, M. J.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Stanford, S. A.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94551 USA. [Holden, B. P.; Illingworth, G.] Univ Calif Santa Cruz, UCO Lick Observ, Santa Cruz, CA 95065 USA. [Nakata, F.; Kodama, T.] Natl Inst Nat Sci, Natl Astron Observ Japan, Subaru Telescope, Hilo, HI 96720 USA. [Rosati, P.] European S Observ, D-85748 Garching, Germany. [Shankar, F.] Max Planck Inst Astrophys, D-85748 Garching, Germany. [Tanaka, M.] Univ Tokyo, Inst Phys & Math Universe, Chiba 2778583, Japan. [Ford, H.; Rettura, A.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Kodama, T.] Natl Inst Nat Sci, Natl Astron Observ Japan, Mitaka, Tokyo 1818588, Japan. [Postman, M.; White, R. L.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Rettura, A.] Univ Calif Riverside, Dept Phys & Astron, Riverside, CA 92521 USA. [Blakeslee, J. P.] Natl Res Council Canada, Herzberg Inst Astrophys, Victoria, BC V9E 2E7, Canada. [Demarco, R.] Univ Concepcion, Dept Astron, Concepcion, Chile. RP Raichoor, A (reprint author), Osserv Astron Brera, Via Brera 28, I-20121 Milan, Italy. EM anand.raichoor@brera.inaf.it OI Blakeslee, John/0000-0002-5213-3548 FU NASA [NAS 5-32865, NAS5-26555]; NASA HST [GO-10574.01-A]; Spitzer grant for program [20694]; W. M. Keck Foundation FX ACS was developed under NASA contract NAS 5-32865. This research has been supported by the NASA HST grant GO-10574.01-A, and Spitzer grant for program 20694. The Space Telescope Science Institute is operated by AURA Inc., under NASA contract NAS5-26555. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation. The authors recognize and acknowledge the very significant cultural role and reverence that the summit of Mauna Kea has always had within the indigenous Hawaiian community. We are most fortunate to have the opportunity to conduct observations from this mountain. Some data were based on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the Science and Technology Facilities Council (United Kingdom), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), Ministrio da Cincia e Tecnologia (Brazil), and Ministerio de Ciencia, Tecnologa e Innovacin Productiva (Argentina), Gemini Science Program ID: GN-2006A-Q-78. We thank the anonymous referee for a careful reading of the manuscript. A. R. thanks A. Graham for useful comments. NR 89 TC 26 Z9 26 U1 0 U2 1 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 FEB 1 PY 2012 VL 745 IS 2 AR 130 DI 10.1088/0004-637X/745/2/130 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800028 ER PT J AU Marino, SR Lin, S Maicrs, M Haagenson, M Spellman, S Klein, JP Binkowski, TA Lee, SJ van Besien, K AF Marino, S. R. Lin, S. Maicrs, M. Haagenson, M. Spellman, S. Klein, J. P. Binkowski, T. A. Lee, S. J. van Besien, K. TI Identification by random forest method of HLA class I amino acid substitutions associated with lower survival at day 100 in unrelated donor hematopoietic cell transplantation SO BONE MARROW TRANSPLANTATION LA English DT Article DE random forest analysis; HLA matching; amino acid substitutions; unrelated donor; hematopoietic cell transplantation ID BONE-MARROW-TRANSPLANTATION; VERSUS-HOST-DISEASE; HISTOCOMPATIBILITY ANTIGENS; MOLECULAR-MECHANISM; MICROARRAY DATA; CLASSIFICATION; MISMATCHES; ALLORECOGNITION; IMPACT; RISK AB The identification of important amino acid substitutions associated with low survival in hematopoietic cell transplantation (HCT) is hampered by the large number of observed substitutions compared with the small number of patients available for analysis. Random forest analysis is designed to address these limitations. We studied 2107 HCT recipients with good or intermediate risk hematological malignancies to identify HLA class I amino acid substitutions associated with reduced survival at day 100 post transplant. Random forest analysis and traditional univariate and multivariate analyses were used. Random forest analysis identified amino acid substitutions in 33 positions that were associated with reduced 100 day survival, including HLA-A 9, 43, 62, 63, 76, 77, 95, 97, 114, 116, 152, 156, 166 and 167; HLA-B 97, 109, 116 and 156; and HLA-C 6, 9, 11, 14, 21, 66, 77, 80, 95, 97, 99, 116, 156, 163 and 173. In all 13 had been previously reported by other investigators using classical biostatistical approaches. Using the same data set, traditional multivariate logistic regression identified only five amino acid substitutions associated with lower day 100 survival. Random forest analysis is a novel statistical methodology for analysis of HLA mismatching and outcome studies, capable of identifying important amino acid substitutions missed by other methods. Bone Marrow Transplantation (2012) 47, 217-226; doi:10.1038/bmt.2011.56; published online 28 March 2011 C1 [Marino, S. R.] Univ Chicago, Dept Pathol, Med Ctr, Chicago, IL 60637 USA. [Lin, S.] Univ Chicago, Dept Hlth Studies, Chicago, IL 60637 USA. [Maicrs, M.; Spellman, S.] Natl Marrow Donor Program, Minneapolis, MN USA. [Haagenson, M.] Stat Ctr Int Blood & Marrow Transplant Res, Minneapolis, MN USA. [Klein, J. P.] Med Coll Wisconsin, Milwaukee, WI 53226 USA. [Binkowski, T. A.] Argonne Natl Lab, Ctr Struct Genom Infect Dis, Argonne, IL 60439 USA. [Binkowski, T. A.] Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. [Lee, S. J.] Fred Hutchinson Canc Res Ctr, Div Clin Res, Seattle, WA 98104 USA. [van Besien, K.] Univ Chicago, Dept Med, Med Ctr, Chicago, IL 60637 USA. RP Marino, SR (reprint author), Univ Chicago, Dept Pathol, Med Ctr, MC 0006,5841 S Maryland Ave, Chicago, IL 60637 USA. EM smarino@bsd.uchicago.edu RI van Besien, Koen/G-4221-2012; OI van Besien, Koen/0000-0002-8164-6211; Maiers, Martin/0000-0002-0198-2064 FU University of Chicago Cancer Research Center, Chicago, Illinois [6-33573 (SRM)]; Public Health Service [U24-CA76518]; National Cancer Institute (NCI); National Heart, Lung and Blood Institute (NHLBI) [5U01HL069294]; National Institute of Allergy and Infectious Diseases; Health Resources and Services Administration (DHHS) [HHSH234200637015C]; Office of Naval Research [N00014-06-1-0704, N00014-08-1-0058]; Amgen Inc.; Astellas Pharma US Inc.; Baxter International Inc.; Bayer HealthCare Pharmaceuticals; Be the Match Foundation; Biogen IDEC; BioMarin Pharmaceutical Inc.; Biovitrum AB; Blood-Center of Wisconsin; Blue Cross and Blue Shield Association; Bone Marrow Foundation; Canadian Blood and Marrow Transplant Group; CaridianBCT; Celgene Corporation; Cell-Genix; GmbH; Centers for Disease Control and Prevention; Children's Leukemia Research Association; ClinImmune Labs; CTI Clinical Trial and Consulting Services; Cubist Pharmaceuticals; Cylex Inc.; CytoTherm; DOR BioPharma Inc.; Dynal Biotech, an Invitrogen Company; Eisai Inc.; Enzon Pharmaceuticals Inc.; European Group for Blood and Marrow Transplantation; Gamida Cell Ltd.; GE Healthcare; Genentech Inc.; Genzyme Corporation; Histogenetics Inc.; HKS Medical Information Systems; Hospira Inc.; Infectious Diseases Society of America; Kiadis Pharma; Kirin Brewery Co. Ltd.; Leukemia and Lymphoma Society; Merck and Company; Medical College of Wisconsin; MGI Pharma Inc.; Michigan Community Blood Centers; Millennium Pharmaceuticals Inc.; Miller Pharmacal Group; Milliman USA Inc.; Miltenyi Biotec Inc.; National Marrow Donor Program; Nature Publishing Group; New York Blood Center; Novartis Oncology; Oncology Nursing Society; Osiris Therapeutics Inc.; Otsuka America Pharmaceutical Inc.; Pall Life Sciences; PDL BioPharma Inc; Pfizer Inc; Pharmion Corporation; Saladax Biomedical Inc.; Schering Corporation; Society for Healthcare Epidemiology of America; StemCyte Inc.; StemSoft Software Inc.; Sysmex America Inc.; Teva Pharmaceutical Industries; THERAKOS Inc.; Thermogenesis Corporation; Vidacare Corporation; Vion Pharmaceuticals Inc.; ViraCor Laboratories; ViroPharma Inc.; Wellpoint Inc. FX We thank Theodore Karrison, PhD, for statistical support. This study was supported by the University of Chicago Cancer Research Center, Chicago, Illinois (Fund-6-33573 (SRM)). The Center for International Blood and Marrow Transplant Research is supported by Public Health Service Grant/Cooperative Agreement U24-CA76518 from the National Cancer Institute (NCI), the National Heart, Lung and Blood Institute (NHLBI) and the National Institute of Allergy and Infectious Diseases; a Grant/Cooperative Agreement 5U01HL069294 from NHLBI and NCI; a contract HHSH234200637015C with Health Resources and Services Administration (DHHS); two Grants N00014-06-1-0704 and N00014-08-1-0058 from the Office of Naval Research; and grants from AABB; Aetna; American Society for Blood and Marrow Transplantation; Amgen Inc.; Anonymous donation to the Medical College of Wisconsin; Astellas Pharma US Inc.; Baxter International Inc.; Bayer HealthCare Pharmaceuticals; Be the Match Foundation; Biogen IDEC; BioMarin Pharmaceutical Inc.; Biovitrum AB; Blood-Center of Wisconsin; Blue Cross and Blue Shield Association; Bone Marrow Foundation; Canadian Blood and Marrow Transplant Group; CaridianBCT; Celgene Corporation; Cell-Genix, GmbH; Centers for Disease Control and Prevention; Children's Leukemia Research Association; ClinImmune Labs; CTI Clinical Trial and Consulting Services; Cubist Pharmaceuticals; Cylex Inc.; CytoTherm; DOR BioPharma Inc.; Dynal Biotech, an Invitrogen Company; Eisai Inc.; Enzon Pharmaceuticals Inc.; European Group for Blood and Marrow Transplantation; Gamida Cell Ltd.; GE Healthcare; Genentech Inc.; Genzyme Corporation; Histogenetics Inc.; HKS Medical Information Systems; Hospira Inc.; Infectious Diseases Society of America; Kiadis Pharma; Kirin Brewery Co. Ltd.; The Leukemia and Lymphoma Society; Merck and Company; The Medical College of Wisconsin; MGI Pharma Inc.; Michigan Community Blood Centers; Millennium Pharmaceuticals Inc.; Miller Pharmacal Group; Milliman USA Inc.; Miltenyi Biotec Inc.; National Marrow Donor Program; Nature Publishing Group; New York Blood Center; Novartis Oncology; Oncology Nursing Society; Osiris Therapeutics Inc.; Otsuka America Pharmaceutical Inc.; Pall Life Sciences; PDL BioPharma Inc; Pfizer Inc; Pharmion Corporation; Saladax Biomedical Inc.; Schering Corporation; Society for Healthcare Epidemiology of America; StemCyte Inc.; StemSoft Software Inc.; Sysmex America Inc.; Teva Pharmaceutical Industries; THERAKOS Inc.; Thermogenesis Corporation; Vidacare Corporation; Vion Pharmaceuticals Inc.; ViraCor Laboratories; ViroPharma Inc.; and Wellpoint Inc. The views expressed in this article do not reflect the official policy or position of the National Institute of Health, the Department of the Navy, the Department of Defense, or any other agency of the US Government. Author contributions: SRM conceptualized the study, interpreted the results and wrote the manuscript; SRM and SL designed the study; SL performed the univariate, multivariate, and random forest analyses; MM prepared amino acid database for analysis; MH prepared data for statistical analysis; SS and SJL contributed ideas and made significant contributions to the writing of the manuscript; JK performed multivariate analysis; TAB prepared the figure; KVB provided overall advice and guidance. All authors reviewed the manuscript. NR 25 TC 15 Z9 15 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0268-3369 J9 BONE MARROW TRANSPL JI Bone Marrow Transplant. PD FEB PY 2012 VL 47 IS 2 BP 217 EP 226 DI 10.1038/bmt.2011.56 PG 10 WC Biophysics; Oncology; Hematology; Immunology; Transplantation SC Biophysics; Oncology; Hematology; Immunology; Transplantation GA 894GM UT WOS:000300415100009 PM 21441965 ER PT J AU Kreno, LE Leong, K Farha, OK Allendorf, M Van Duyne, RP Hupp, JT AF Kreno, Lauren E. Leong, Kirsty Farha, Omar K. Allendorf, Mark Van Duyne, Richard P. Hupp, Joseph T. TI Metal-Organic Framework Materials as Chemical Sensors SO CHEMICAL REVIEWS LA English DT Review ID SENSING APPLICATIONS; SORPTION PROPERTIES; POROUS FRAMEWORK; HYDROGEN STORAGE; MOLECULAR-SIEVE; ORIENTED GROWTH; GAS-ADSORPTION; SELF-DIFFUSION; THIN-FILMS; INTERPENETRATION C1 [Leong, Kirsty; Allendorf, Mark] Sandia Natl Labs, Livermore, CA 94551 USA. [Kreno, Lauren E.; Farha, Omar K.; Van Duyne, Richard P.; Hupp, Joseph T.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. RP Allendorf, M (reprint author), Sandia Natl Labs, Mail Stop 9291, Livermore, CA 94551 USA. EM mdallen@sandia.gov; j-hupp@northwestern.edu RI Hupp, Joseph/K-8844-2012; Farha, Omar/B-5512-2014 OI Hupp, Joseph/0000-0003-3982-9812; Farha, Omar/0000-0002-9904-9845 FU Defense Threat Reduction Agency [HDTRA1-09-1-0009]; National Defense Science and Engineering; U.S. Department of Energy Office of Proliferation Detection; Sandia Laboratory Directed Research and Development; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The Northwestern group gratefully acknowledges the Defense Threat Reduction Agency (grant no. HDTRA1-09-1-0009) and the National Defense Science and Engineering Graduate Fellowship program (fellowship for L.E.K) for support of their own research on MOFs as chemical sensors. The Sandia group gratefully acknowledges the support of the U.S. Department of Energy Office of Proliferation Detection Advanced Materials Program and the Sandia Laboratory Directed Research and Development Program. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 114 TC 2127 Z9 2146 U1 214 U2 1307 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0009-2665 EI 1520-6890 J9 CHEM REV JI Chem. Rev. PD FEB PY 2012 VL 112 IS 2 SI SI BP 1105 EP 1125 DI 10.1021/cr200324t PG 21 WC Chemistry, Multidisciplinary SC Chemistry GA 895BX UT WOS:000300472300014 PM 22070233 ER PT J AU Millett, PC AF Millett, Paul C. TI Percolation on grain boundary networks: Application to fission gas release in nuclear fuels SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Percolation; Fission gas release; Grain boundary; Nuclear fuel; Intergranular bubbles ID DIFFUSION; POROSITY; UO2 AB The percolation behavior of grain boundary networks is characterized in two-and three-dimensional lattices with circular macroscale cross-sections that correspond to nuclear fuel elements. The percolation of gas bubbles on grain boundaries, and the subsequent percolation of grain boundary networks is the primary mechanism of fission gas release from nuclear fuels. Both radial cracks and radial gradients in grain boundary property distributions are correlated with the fraction of grain boundaries vented to the free surfaces. Our results show that cracks surprisingly do not significantly increase the percolation of uniform grain boundary networks. However, for networks with radial gradients in boundary properties, the cracks can considerably raise the vented grain boundary content. (C) 2011 Elsevier B.V. All rights reserved. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Millett, PC (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM Paul.Millett@inl.gov FU Nuclear Energy Modeling and Simulation (NEAMS) within the US Department of Energy FX PCM gratefully acknowledges insightful conversations with Megan Frary, Michael Tonks, and Bulent Biner; as well as financial support from the Nuclear Energy Modeling and Simulation (NEAMS) program within the US Department of Energy. NR 14 TC 11 Z9 11 U1 0 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 J9 COMP MATER SCI JI Comput. Mater. Sci. PD FEB PY 2012 VL 53 IS 1 BP 31 EP 36 DI 10.1016/j.commatsci.2011.09.025 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 898FP UT WOS:000300722900006 ER PT J AU Jaffe, JE Van Ginhoven, RM Jiang, WL AF Jaffe, John E. Van Ginhoven, Renee M. Jiang, Weilin TI Interstitial and substitutional zirconium in SrTiO3 SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Density functional theory; Radiation effects; Waste materials ID AUGMENTED-WAVE METHOD; ELECTRONIC-STRUCTURE; ENERGIES; DEFECTS AB We investigate Zr in SrTiO3 (STO) as a model for nuclear waste forms in which the fission product Sr-90 eventually decays to stable Zr through beta emission. The transformation of a divalent into a tetravalent constituent is expected to affect the long-term structural and chemical stability of this solid. Computational methods of electronic structure theory, specifically the density functional theory (DFT) within the supercell model, are used to predict the thermodynamic stability and electronic states of interstitial and Sr- or Ti-substituted Zr atoms in the STO lattice. Native defects such as vacancies and antisites are also considered. When Zr replaces Sr, its most stable configuration is to simply occupy the Sr site. For Zr added to the lattice, its most stable configuration is to replace a Ti, making a Zr-Ti impurity plus a Ti interstitial. Zr-Sr is predicted to be a double electron donor, Zr-Ti is electrically inactive and interstitial Zr and Ti are predicted to be quadruple donors, with all donor levels in the conduction band. The interstitials are all predicted to increase the crystal volume, and lead to a tetragonal distortion of the lattice. Experiments with injection of Zr and O atoms into STO qualitatively confirm these predictions of crystal structural changes. (C) 2011 Elsevier B.V. All rights reserved. C1 [Jaffe, John E.; Van Ginhoven, Renee M.; Jiang, Weilin] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Jaffe, JE (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM john.jaffe@pnnl.gov OI Jiang, Weilin/0000-0001-8302-8313 NR 18 TC 6 Z9 7 U1 2 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 J9 COMP MATER SCI JI Comput. Mater. Sci. PD FEB PY 2012 VL 53 IS 1 BP 153 EP 157 DI 10.1016/j.commatsci.2011.08.023 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 898FP UT WOS:000300722900022 ER PT J AU Kennedy, S Beavers, CM Teat, SJ Dalgarno, SJ AF Kennedy, Stuart Beavers, Christine M. Teat, Simon J. Dalgarno, Scott J. TI Pyridine Directed Assembly of Tetra-O-Alkyl p-Carboxylatocalix[4]arenes SO CRYSTAL GROWTH & DESIGN LA English DT Article ID CALIXARENE NANOTUBES; MOLECULAR CAPSULE; HYDROGEN-BONDS; METAL; COMPLEXES; COORDINATION; CONFINEMENT; BILAYERS; SPHERES; SOLIDS AB A crystallization study of four tetra-O-alkyl pcarboxylatocalix[4]arenes from a series of pyridine derivatives has been carried out to investigate the effects of varying the length of the calixarene lower-rim alkyl group introduced, and the introduction of alkyl groups around the pyridine guest/ template. Analysis of 11 of 24 possible sets of single crystals formed shows trends in self-assembly based on the availability of the calixarene cavity for guest/template inclusion, either Py center dot center dot center dot CO2H or CO2H center dot center dot center dot CO2H synthons, and dominance of one synthon over the other depending on the position of alkyl groups around the pyridine ring. C1 [Kennedy, Stuart; Dalgarno, Scott J.] Heriot Watt Univ, Edinburgh EH14 4AS, Midlothian, Scotland. [Beavers, Christine M.; Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Dalgarno, SJ (reprint author), Heriot Watt Univ, Edinburgh EH14 4AS, Midlothian, Scotland. EM S.J.Dalgarno@hw.ac.uk RI Beavers, Christine/C-3539-2009; Kennedy, Stuart/D-5248-2014; Dalgarno, Scott/A-7358-2010 OI Beavers, Christine/0000-0001-8653-5513; Kennedy, Stuart/0000-0002-1769-8797; Dalgarno, Scott/0000-0001-7831-012X FU EPSRC; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-ACO2-05CH11231] FX We thank the EPSRC for funding. 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-ACO2-05CH11231 NR 46 TC 10 Z9 10 U1 2 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD FEB PY 2012 VL 12 IS 2 BP 679 EP 687 DI 10.1021/cg2008864 PG 9 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 895BG UT WOS:000300470600019 ER PT J AU Kennedy, S Dodgson, IE Beavers, CM Teat, SJ Dalgarno, SJ AF Kennedy, Stuart Dodgson, India E. Beavers, Christine M. Teat, Simon J. Dalgarno, Scott J. TI Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes SO CRYSTAL GROWTH & DESIGN LA English DT Article ID MOLECULAR CAPSULE; HYDROGEN-BONDS; COMPLEXES; COORDINATION; CONFINEMENT; CRYSTALS; BILAYERS; SOLIDS; ETHERS AB Crystallization of four di-O-alkyl-tris-p-carboxylatocalix[4]arenes from a series of pyridine derivatives has been carried out to investigate the effect of introducing alkyl groups around the pyridine guest/template. Where single crystals were obtained, for 12 of 24 possible structures, in all but one case the calixarenes assemble with the pyridine derivative into hydrogen-bonded head-to-head dimers within extended bilayer or nanotubular arrays. C1 [Kennedy, Stuart; Dodgson, India E.; Dalgarno, Scott J.] Heriot Watt Univ, Edinburgh EH14 4AS, Midlothian, Scotland. [Beavers, Christine M.; Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Dalgarno, SJ (reprint author), Heriot Watt Univ, Edinburgh EH14 4AS, Midlothian, Scotland. EM S.J.Dalgarno@hw.ac.uk RI Beavers, Christine/C-3539-2009; Kennedy, Stuart/D-5248-2014; Dalgarno, Scott/A-7358-2010 OI Beavers, Christine/0000-0001-8653-5513; Kennedy, Stuart/0000-0002-1769-8797; Dalgarno, Scott/0000-0001-7831-012X FU EPSRC; National Centre for Mass Spectrometry in Swansea; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [ACO2-05CH11231] FX We thank the EPSRC for funding and support through the National Centre for Mass Spectrometry in Swansea. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-ACO2-05CH11231. NR 28 TC 14 Z9 14 U1 1 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD FEB PY 2012 VL 12 IS 2 BP 688 EP 697 DI 10.1021/cg200887d PG 10 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 895BG UT WOS:000300470600020 ER PT J AU Cook, B Zeng, N Yoon, JH AF Cook, Brian Zeng, Ning Yoon, Jin-Ho TI Will Amazonia Dry Out? Magnitude and Causes of Change from IPCC Climate Model Projections SO EARTH INTERACTIONS LA English DT Article DE Climate change; Amazonia; Drought ID NINO-SOUTHERN-OSCILLATION; ATMOSPHERIC CARBON-DIOXIDE; RAIN-FOREST; INTERANNUAL VARIABILITY; TROPICAL DEFORESTATION; CO2 EMISSIONS; PRECIPITATION; DROUGHT; CYCLE; RESPONSES AB The Amazon rain forest may undergo significant change in response to future climate change. To determine the likelihood and causes of such changes, the authors analyzed the output of 24 models from the Intergovernmental Panel on Climate Change (IPCC) Fourth Assessment Report (AR4) and a dynamic vegetation model, Vegetation-Global-Atmosphere-Soil (VEGAS), driven by these climate output. Their results suggest that the core of the Amazon rain forest should remain largely stable because rainfall in the core of the basin is projected to increase in nearly all models. However, the periphery, notably the southern edge of Amazonia and farther south into central Brazil (SAB), is in danger of drying out, driven by two main processes. First, a decline in precipitation of 11% during the southern Amazonia's dry season (May-September) reduces soil moisture. Two dynamical mechanisms may explain the forecast reduction in dry season rainfall: 1) a general subtropical drying under global warming when the dry season southern Amazon basin is under the control of subtropical high pressure and 2) a stronger north-south tropical Atlantic sea surface temperature gradient and, to a lesser degree, a warmer eastern equatorial Pacific. The drying corresponds to a lengthening of the dry season by approximately 10 days. The decline in soil moisture occurs despite an increase in precipitation during the wet season, because of nonlinear responses in hydrology associated with the decline in dry season precipitation, ecosystem dynamics, and an increase in evaporative demand due to the general warming. In terms of ecosystem response, higher maintenance cost and reduced productivity under warming may also have additional adverse impact. Although the IPCC models have substantial intermodel variation in precipitation change, these latter two hydroecological effects are highly robust because of the general warming simulated by all models. As a result, when forced by these climate projections, a dynamic vegetation model VEGAS projects an enhancement of fire risk by 20%-30% in the SAB region. Fire danger reaches its peak in Amazonia during the dry season, and this danger is expected to increase primarily because of the reduction in soil moisture and the decrease in dry season rainfall. VEGAS also projects a reduction of about 0.77 in leaf area index (LAI) over the SAB region. The vegetation response may be partially mediated by the CO2 fertilization effect, because a sensitivity experiment without CO2 fertilization shows a higher 0.89 decrease in LAI. Southern Amazonia is currently under intense human influence as a result of deforestation and land-use change. Should this direct human impact continue at present rates, added pressure to the region's ecosystems from climate change may subject the region to profound changes in the twenty-first century. C1 [Cook, Brian; Zeng, Ning; Yoon, Jin-Ho] Univ Maryland, Dept Atmospher & Ocean Sci, College Pk, MD 20742 USA. [Cook, Brian] US EPA, Washington, DC 20460 USA. [Zeng, Ning; Yoon, Jin-Ho] Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20742 USA. [Yoon, Jin-Ho] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zeng, N (reprint author), Univ Maryland, Dept Atmospher & Ocean Sci, College Pk, MD 20742 USA. EM zeng@atmos.umd.edu RI Zeng, Ning/A-3130-2008; YOON, JIN-HO/A-1672-2009 OI Zeng, Ning/0000-0002-7489-7629; YOON, JIN-HO/0000-0002-4939-8078 FU NSF [ATM0739677, TG-ATM110014]; NOAA [NA04OAR4310091, NA04OAR4310114]; Battelle Memorial Institute [DE-AC06-76RLP1830] FX We acknowledge the modeling groups, the Program for Climate Model Diagnosis and Intercomparison (PCMDI), and the WCRP Working Group on Coupled Modeling (WGCM) for their roles in making available the WCRP CMIP3 multimodel dataset. We thank J. D. Neelin, V. Brovkin, and K. Cook for discussion. Comments from Dr. Maoyi Huang at PNNL were greatly appreciated. This research was supported by NSF Grant ATM0739677 and NOAA Grants NA04OAR4310091 and NA04OAR4310114. Computation was in part performed at TeraGrid resources supported by National Science Foundation under Grant TG-ATM110014. Also, this research is partially supported by NOAA/Climate Prediction Programs for the Americas (CPPA) to PNNL. PNNL is operated for the U.S. Department of Energy by Battelle Memorial Institute under Contract DE-AC06-76RLP1830. NR 71 TC 9 Z9 9 U1 3 U2 63 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1087-3562 J9 EARTH INTERACT JI Earth Interact. PD FEB PY 2012 VL 16 AR 3 DI 10.1175/2011EI398.1 PG 27 WC Geosciences, Multidisciplinary SC Geology GA 897AU UT WOS:000300613800001 ER PT J AU Dannemann, KA Chalivendra, VB Song, B AF Dannemann, K. A. Chalivendra, V. B. Song, B. TI Dynamic Behavior of Materials SO EXPERIMENTAL MECHANICS LA English DT Editorial Material C1 [Dannemann, K. A.] SW Res Inst, San Antonio, TX USA. [Chalivendra, V. B.] Univ Massachusetts Dartmouth, N Dartmouth, MA USA. [Song, B.] Sandia Natl Labs, Livermore, CA USA. RP Dannemann, KA (reprint author), SW Res Inst, San Antonio, TX USA. EM kdannemann@swri.org RI Song, Bo/D-3945-2011 NR 6 TC 1 Z9 1 U1 1 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0014-4851 J9 EXP MECH JI Exp. Mech. PD FEB PY 2012 VL 52 IS 2 SI SI BP 117 EP 118 DI 10.1007/s11340-012-9598-0 PG 2 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing SC Materials Science; Mechanics GA 896PS UT WOS:000300582300001 ER PT J AU Todd, SN Caipen, TL Anderson, MU Lee, BD AF Todd, S. N. Caipen, T. L. Anderson, M. U. Lee, B. D. TI Modeling Damage Induced Initiation of Explosives SO EXPERIMENTAL MECHANICS LA English DT Article DE Impact initiation; Non-shock initiation; Initiation model; Damage initiation; Shear initiation AB Sandia National Laboratories developed the DaMaGe Initiated Reaction (DMGIR) model to numerically predict weakly supported shock waves that generate an initiation at energy levels below the shock-to-detonation transition (SDT) of an explosive. The DMGIR model couples the strain energy fluence contribution from damage to the initiation process. It does not attempt to include all possible specific initiation mechanisms at the mesoscale, but instead looks at cumulative damage incurred in the explosive through experimental calibration of a small number of material constants. Both shock pressure (hydrostatic) and shear stress (deviatoric) are accounted for in the summation. The model was designed to be robust and relatively simple to calibrate. The DMGIR model is implemented into the Sandia National Laboratories' CTH shock wave and large deformation code. The model runs concurrently with the existing History Variable Reactive Burn (HVRB) model currently used for shock initiation. C1 [Todd, S. N.; Anderson, M. U.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Caipen, T. L.; Lee, B. D.] Appl Res Associates Inc, Albuquerque, NM 87110 USA. RP Todd, SN (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM sntodd@sandia.gov FU Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank Chance Hughs, Shawn Parks, and Charles Jensen for their contributions to this research program. Sandia is a multi-program 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 12 TC 0 Z9 1 U1 1 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0014-4851 J9 EXP MECH JI Exp. Mech. PD FEB PY 2012 VL 52 IS 2 SI SI BP 145 EP 151 DI 10.1007/s11340-011-9533-9 PG 7 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing SC Materials Science; Mechanics GA 896PS UT WOS:000300582300004 ER PT J AU Casem, DT Grunschel, SE Schuster, BE AF Casem, D. T. Grunschel, S. E. Schuster, B. E. TI Normal and Transverse Displacement Interferometers Applied to Small Diameter Kolsky Bars SO EXPERIMENTAL MECHANICS LA English DT Article DE Kolsky bar; Split Hopkinson Pressure Bar; Normal displacement interferometer; Transverse displacement interferometer; High strain-rate testing ID HOPKINSON PRESSURE BAR; HIGH-STRAIN RATES; DISPERSION; IMPACT AB For Kolsky bar testing beyond strain-rates of 10,000/s, it is useful to employ bars with diameters of only a few millimeters or less. Furthermore, very small (sub-millimeter) systems are compatible with micron-sized specimens, to be used, for example, for the determination of mesoscale properties. However, at these sizes, traditional strain-gage measurements of the longitudinal waves within the bars become impractical. In this paper we describe the application of optical measurement techniques to two Kolsky bars, with 3.2 and 1.6 mm diameters. A transverse displacement interferometer is used to measure the displacement of the mid-point of the incident bar and provide measurements of the incident and reflected pulses. Similarly, a normal displacement interferometer is used to measure the displacement of the free-end of the transmitter bar and provide a measurement of the transmitted pulse. The new methods are used to characterize the behavior of 6061-T6 aluminum at rates greater than 100,000/s. The feasibility of application to smaller bars is also discussed. C1 [Casem, D. T.] USA, Res Lab, RDRL WMP B, Aberdeen, MD 21005 USA. [Schuster, B. E.] USA, Res Lab, RDRL WML H, Aberdeen, MD 21005 USA. [Grunschel, S. E.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Casem, DT (reprint author), USA, Res Lab, RDRL WMP B, Aberdeen, MD 21005 USA. EM Daniel.t.casem.civ@mail.mil FU U.S. Army Research Laboratory; U.S. Department of Energy; USARL FX This research was supported in part by an appointment to the Postgraduate Research Participation Program at the U.S. Army Research Laboratory administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and USARL. NR 21 TC 9 Z9 9 U1 1 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0014-4851 EI 1741-2765 J9 EXP MECH JI Exp. Mech. PD FEB PY 2012 VL 52 IS 2 SI SI BP 173 EP 184 DI 10.1007/s11340-011-9524-x PG 12 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing SC Materials Science; Mechanics GA 896PS UT WOS:000300582300007 ER PT J AU Igci, Y Pannala, S Benyahia, S Sundaresan, S AF Igci, Yesim Pannala, Sreekanth Benyahia, Sofiane Sundaresan, Sankaran TI Validation Studies on Filtered Model Equations for Gas-Particle Flows in Risers SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID CIRCULATING FLUIDIZED-BED; MESOSCALE STRUCTURES; SIMULATION; SECTION AB In our prior studies ([Igci, Y., et al., AIChE J., 2008, 54, 1431-1448] and [Igci, Y., Sundaresan S., AIChE J., 2010, in press]) we presented a methodology where computational results obtained through highly resolved simulations of a given microscopic two-fluid model (TFM) for gas-particle flows are filtered to deduce constitutive models for the residual correlations appearing in the corresponding filtered TFM equations that are appropriate for coarse-grid simulations of gas-particle flows. We had also analyzed the flow behavior in the vicinity of solid boundaries and proposed wall corrections for these constitutive models. We had ascertained that the filtered models do yield nearly the same time-averaged macroscale flow behavior in vertical channel flows as the underlying kinetic-theory-based TFM, thus verifying the filtered model approach. In the present study, we have performed a set of 3D computational simulations for validation of the filtered TFM against the experimental data on riser flow [Karri, S., et al., PSRI Challenge Problem 1, Workshop 3 Modeling Test, at the 8th International Conference on Fluidization, Tour, France, 1995]. It is found that inclusion of wall corrections brings the filtered model predictions closer to the experimental data and that simulations corresponding to different filter lengths yield nearly the same results. C1 [Igci, Yesim; Sundaresan, Sankaran] Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08544 USA. [Pannala, Sreekanth] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Benyahia, Sofiane] Natl Energy Technol, Dept Energy, Morgantown, WV USA. RP Sundaresan, S (reprint author), Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08544 USA. EM sundar@princeton.edu RI Pannala, Sreekanth/F-9507-2010 FU US Department of Energy [CDE-FC26-00NT40971, DE-PS26-05NT42472-11]; ExxonMobil Research & Engineering Company FX Sundaresan is delighted to contribute this manuscript for the special issue honoring Professor K. D. P. Nigam. This work was supported by the US Department of Energy (Grants CDE-FC26-00NT40971 and DE-PS26-05NT42472-11) and the ExxonMobil Research & Engineering Company. Y. Igci acknowledges summer training on MFIX at the National Energy Technology Laboratory, Morgantown, WV. S. Pannala acknowledges support from US DOE's Fossil Energy program. NR 26 TC 28 Z9 30 U1 0 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD FEB 1 PY 2012 VL 51 IS 4 BP 2094 EP 2103 DI 10.1021/ie2007278 PG 10 WC Engineering, Chemical SC Engineering GA 894ZX UT WOS:000300467100064 ER PT J AU Kim, HW Chan, QL Afton, SE Caruso, JA Lai, B Weintraub, NL Qin, ZY AF Kim, Ha Won Chan, Qilin Afton, Scott E. Caruso, Joseph A. Lai, Barry Weintraub, Neal L. Qin, Zhenyu TI Human Macrophage ATP7A is Localized in the trans-Golgi Apparatus, Controls Intracellular Copper Levels, and Mediates Macrophage Responses to Dermal Wounds SO INFLAMMATION LA English DT Article DE macrophage; copper; ATP7A ID GROWTH-FACTOR RECEPTOR-1; RAY-FLUORESCENCE MICROSCOPY; SUPEROXIDE-DISMUTASE; MENKES DISEASE; THP-1 CELLS; HINDLIMB ISCHEMIA; CANDIDATE GENE; MIGRATION; EXPRESSION; ANGIOGENESIS AB The copper transporter ATP7A has attracted significant attention since the discovery of its gene mutation leading to human Menkes disease. We previously reported that ATP7A is highly expressed in the human vasculature and identified a novel vascular function of ATP7A in modulation of the expression and activity of extracellular superoxide dismutase. We recently identified that ATP7A expression in THP-1 cells (a monocyte/macrophage model cell line) plays a role in the oxidation of low density lipoproteins, indicating that it is necessary to further investigate its expression and function in monocytes/macrophages. In the current study, we demonstrated the protein and mRNA expression of ATP7A in human peripheral blood mononuclear cell (PBMC)-derived macrophages and alveolar macrophages. ATP7A was strongly co-localized with the trans-Golgi apparatus in PBMC-derived macrophages. Intracellular copper, detected by synchrotron X-ray fluorescence microscopy, was found to be distributed to the nucleus and cytoplasm in human THP-1 cells. To confirm the role of endogenous ATP7A in macrophage copper homeostasis, we performed inductively coupled plasma mass spectrometry in murine peritoneal macrophages, which showed markedly increased intracellular copper levels in macrophages isolated from ATP7A-deficient mice versus control mice. Moreover, the role of ATP7A in regulating macrophage responses to dermal wounds was studied by introduction of control and ATP7A-downregulated THP-1 cells into dermal wounds of nude mice. Infiltration of THP-1 cells into the wounded area (detected by expression of human macrophage markers MAC2 and CD68) was reduced in response to downregulation of ATP7A, hinting decreased macrophage accumulation subsequent to dermal wounds. In summary, alongside our previous studies, these findings indicate that human macrophage ATP7A is localized in the trans-Golgi apparatus, regulates intracellular copper levels, and mediates macrophage responses to a dermal wound. C1 [Qin, Zhenyu] Univ Texas Hlth Sci Ctr San Antonio, Div Vasc Surg, Dept Surg, San Antonio, TX 78229 USA. [Kim, Ha Won; Chan, Qilin; Afton, Scott E.; Weintraub, Neal L.; Qin, Zhenyu] Univ Cincinnati, Div Cardiovasc Dis, Dept Internal Med, Cincinnati, OH 45267 USA. [Chan, Qilin; Afton, Scott E.; Caruso, Joseph A.] Univ Cincinnati, Dept Chem, Coll Arts & Sci, Cincinnati, OH 45267 USA. [Lai, Barry] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Qin, ZY (reprint author), Univ Texas Hlth Sci Ctr San Antonio, Div Vasc Surg, Dept Surg, San Antonio, TX 78229 USA. EM qinz@uthscsa.edu FU American Heart Association [0835268N]; National Institute of Health [HL-076684, HL-62984]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by a National Scientist Development Grant (0835268N) from the American Heart Association and grants HL-076684 and HL-62984 from the National Institute of Health. 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 Birgit Ehmer and Chet Closson for assisting with the immunofluorescence microscopy and confocal microscopy, Dr. Oyebode Olakanmi for developing the protocol to isolate human PBMC-derived macrophages, and Dr. Dennis McGraw for providing human alveolar macrophages. NR 47 TC 15 Z9 15 U1 0 U2 8 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0360-3997 J9 INFLAMMATION JI Inflammation PD FEB PY 2012 VL 35 IS 1 BP 167 EP 175 DI 10.1007/s10753-011-9302-z PG 9 WC Cell Biology; Immunology SC Cell Biology; Immunology GA 896FM UT WOS:000300550900020 PM 21336677 ER PT J AU Yue, FX Lu, FC Sun, RC Ralph, J AF Yue, Fengxia Lu, Fachuang Sun, Run-Cang Ralph, John TI Syntheses of Lignin-Derived Thioacidolysis Monomers and Their Uses as Quantitation Standards SO JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY LA English DT Article DE Lignin; thioacidolysis; alylglycerol; GC-MS; synthesis; response factor ID ENANTIOSELECTIVE SYNTHESIS; ASYMMETRIC-SYNTHESIS; ETHER; IDENTIFICATION; EFFICIENCY; PRODUCTS; CLEAVAGE; POPLARS AB Analytical thioacidolysis releases diagnostic monomers from lignins by selectively cleaving alkyl aryl ether bonds. High yielding syntheses of the three thioacidolysis monomers were developed, and the compounds were used as standards for gas chromatography mass spectrometry (GC-MS) and gas chromatography flame ionization detector (GC-FID) quantitation of monomers released from lignocellulosics. First, syringyl, guaiacyl, and p-hydroxyphenyl glycerols were synthesized from the corresponding ethyl cinnamates and used as thioacidolysis substrates to prepare the monomers in high yields. These monomers were then used as standard compounds to measure their GC-MS and GC-FID response factors against two internal standards, 4,4'-ethylenebisphenol and tetracosane. For quantitation, it was shown that 4,4'-ethylenebisphenol is the better internal standard for GC-MS, whereas tetracosane remains the choice for GC-FID. When the obtained response factors were applied, the thioacidolysis monomer yields from white spruce, loblolly pine, poplar, bamboo, and sugar cane bagasse were determined by GC-MS. The obtained results were consistent with those reported in the literature. C1 [Yue, Fengxia; Lu, Fachuang; Sun, Run-Cang] S China Univ Technol, State Key Lab Pulp & Paper Engn, Guangzhou 510640, Guangdong, Peoples R China. [Yue, Fengxia; Lu, Fachuang; Ralph, John] Univ Wisconsin Madison, Dept Biochem, Dept Energy DOE, Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA. [Yue, Fengxia; Lu, Fachuang; Ralph, John] Univ Wisconsin Madison, Wisconsin Bioenergy Initiat, Madison, WI 53726 USA. [Sun, Run-Cang] Beijing Forestry Univ, Coll Mat Sci & Technol, Beijing 100083, Peoples R China. RP Lu, FC (reprint author), S China Univ Technol, State Key Lab Pulp & Paper Engn, Guangzhou 510640, Guangdong, Peoples R China. EM fachuanglu@wisc.edu FU China Scholarship Council, State Education Department FX The authors thank the China Scholarship Council, State Education Department, for supporting Fengxia Yue as a visiting student at the Department of Biochemistry, University of Wisconsin, and at the Great Lakes Bioenergy Research Center. NR 30 TC 14 Z9 15 U1 4 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-8561 J9 J AGR FOOD CHEM JI J. Agric. Food Chem. PD FEB 1 PY 2012 VL 60 IS 4 BP 922 EP 928 DI 10.1021/jf204481x PG 7 WC Agriculture, Multidisciplinary; Chemistry, Applied; Food Science & Technology SC Agriculture; Chemistry; Food Science & Technology GA 894YD UT WOS:000300462500009 PM 22191493 ER PT J AU Satoh, Y Tajima, K Munekata, M Keasling, JD Lee, TS AF Satoh, Yasuharu Tajima, Kenji Munekata, Masanobu Keasling, Jay D. Lee, Taek Soon TI Engineering of a Tyrosol-Producing Pathway, Utilizing Simple Sugar and the Central Metabolic Tyrosine, in Escherichia coli SO JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY LA English DT Article DE tyrosol (2-(4-hydroxyphenyl)ethanol); Ehrlich pathway; metabolic engineering Escherichia coli ID OLIVE MILL WASTEWATERS; ANTIOXIDANT HYDROXYTYROSOL; PHENOLIC-COMPOUNDS; SACCHAROMYCES-CEREVISIAE; PSEUDOMONAS-AERUGINOSA; HYDROXYBENZYL ALCOHOL; TYRAMINE OXIDASE; POLYPHENOLS; CONVERSION; CELLS AB Metabolic engineering was applied to the development of Escherichia coli capable of synthesizing tyrosol hydroxyphenyl)ethanol), an attractive phenolic compound with great industrial value, from glucose, a renewable carbon source. In this strain, tyrosine, which was supplied not only from the culture medium but also from the central metabolism, was converted into tyrosol via three steps: decarboxylation, amine oxidation, and reduction. The engineered strain synthesized both tyrosol and 4-hydroxyphenylacetate (4HPA), but disruption of the endogenous phenylacetaldehyde dehydrogenase gene shut off 4HPA production and improved the production of tyrosol as a sole product. The engineered mutant strain was capable of producing 0.5 mM tyrosol from 1% (w/v) glucose during a 48 h shake flask cultivation. C1 [Satoh, Yasuharu; Keasling, Jay D.; Lee, Taek Soon] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Phys Biosci Div, Emeryville, CA 94608 USA. [Satoh, Yasuharu; Tajima, Kenji; Munekata, Masanobu] Hokkaido Univ, Fac Engn, Sapporo, Hokkaido 0608628, Japan. [Keasling, Jay D.; Lee, Taek Soon] Univ Calif Berkeley, Synthet Biol Engn Res Ctr, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Lee, TS (reprint author), Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Phys Biosci Div, Emeryville, CA 94608 USA. EM tslee@lbl.gov RI Tajima, Kenji/B-1379-2012; Satoh, Yasuharu/H-4174-2012; Keasling, Jay/J-9162-2012; OI Keasling, Jay/0000-0003-4170-6088; Satoh, Yasuharu/0000-0001-6671-7758 NR 47 TC 8 Z9 10 U1 2 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-8561 J9 J AGR FOOD CHEM JI J. Agric. Food Chem. PD FEB 1 PY 2012 VL 60 IS 4 BP 979 EP 984 DI 10.1021/jf203256f PG 6 WC Agriculture, Multidisciplinary; Chemistry, Applied; Food Science & Technology SC Agriculture; Chemistry; Food Science & Technology GA 894YD UT WOS:000300462500017 PM 22225426 ER PT J AU van der Vliet, D Strmcnik, DS Wang, C Stamenkovic, VR Markovic, NM Koper, MTM AF van der Vliet, Dennis Strmcnik, Dusan S. Wang, Chao Stamenkovic, Vojislav R. Markovic, Nenad M. Koper, Marc T. M. TI On the importance of correcting for the uncompensated Ohmic resistance in model experiments of the Oxygen Reduction Reaction (vol 647, pg 29, 2010) SO JOURNAL OF ELECTROANALYTICAL CHEMISTRY LA English DT Correction C1 [van der Vliet, Dennis; Strmcnik, Dusan S.; Wang, Chao; Stamenkovic, Vojislav R.; Markovic, Nenad M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Koper, Marc T. M.] Leiden Univ, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands. RP van der Vliet, D (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM vandervliet@anl.gov NR 2 TC 0 Z9 0 U1 3 U2 34 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1572-6657 J9 J ELECTROANAL CHEM JI J. Electroanal. Chem. PD FEB 1 PY 2012 VL 666 BP 89 EP 89 DI 10.1016/j.jelechem.2011.12.008 PG 1 WC Chemistry, Analytical; Electrochemistry SC Chemistry; Electrochemistry GA 896DJ UT WOS:000300545300012 ER PT J AU Johanns, KE Sedlmayr, A Phani, PS Monig, R Kraft, O George, EP Pharr, GM AF Johanns, Kurt E. Sedlmayr, Andreas Phani, P. Sudharshan Moenig, Reiner Kraft, Oliver George, Easo P. Pharr, George M. TI In-situ tensile testing of single-crystal molybdenum-alloy fibers with various dislocation densities in a scanning electron microscope SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID MECHANICAL-PROPERTIES; COMPRESSIVE BEHAVIOR; SIZE DEPENDENCE; MICRON SCALE; PLASTICITY; STRENGTH; COPPER; MICROPILLARS; DEFORMATION; NANOSCALE AB In-situ tensile tests have been performed in a dual beam focused ion beam and scanning electron microscope on as-grown and prestrained single-crystal molybdenum-alloy (Mo-alloy) fibers. The fibers had approximately square cross sections with submicron edge lengths and gauge lengths in the range of 9-41 mu m. In contrast to previously observed yield strengths near the theoretical strength of 10 GPa in compression tests of similar to 1-3-mu m long pillars made from similar Mo-alloy single crystals, a wide scatter of yield strengths between 1 and 10 GPa was observed in the as-grown fibers tested in tension. Deformation was dominated by inhomogeneous plastic events, sometimes including the formation of Luders bands. In contrast, highly prestrained fibers exhibited stable plastic flow, significantly lower yield strengths of similar to 1 GPa, and stress-strain behavior very similar to that in compression. A simple, statistical model incorporating the measured dislocation densities is developed to explain why the tension and compression results for the as-grown fibers are different. C1 [Johanns, Kurt E.; Phani, P. Sudharshan; George, Easo P.; Pharr, George M.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Sedlmayr, Andreas; Moenig, Reiner; Kraft, Oliver] Karlsruhe Inst Technol, Inst Mat Res 2, D-76021 Karlsruhe, Germany. [George, Easo P.; Pharr, George M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Pharr, GM (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM pharr@utk.edu RI George, Easo/L-5434-2014 FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; Center for Defect Physics, an Energy Frontier Research Center; Office of Basic Energy Sciences, U.S. Department of Energy; Alexander von Humboldt Foundation FX This work was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division (materials synthesis and modeling) and the Center for Defect Physics, an Energy Frontier Research Center supported by the Office of Basic Energy Sciences, U.S. Department of Energy (materials characterization and testing). GMP gratefully acknowledges the Alexander von Humboldt Foundation for fellowship support during the period in which the work was performed. NR 33 TC 16 Z9 16 U1 2 U2 32 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD FEB PY 2012 VL 27 IS 3 BP 508 EP 520 DI 10.1557/jmr.2011.298 PG 13 WC Materials Science, Multidisciplinary SC Materials Science GA 886TT UT WOS:000299877500002 ER PT J AU Kim, Y Budiman, AS Baldwin, JK Mara, NA Misra, A Han, SM AF Kim, Youbin Budiman, Arief Suriadi Baldwin, J. Kevin Mara, Nathan A. Misra, Amit Han, Seung Min TI Microcompression study of Al-Nb nanoscale multilayers SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID STRAIN GRADIENT PLASTICITY; MECHANICAL-PROPERTIES; THIN-FILMS; DEFORMATION MECHANISMS; METALLIC MULTILAYERS; CU/NB MULTILAYERS; WEAK INTERFACES; COMPOSITES; DISLOCATION; NANOINDENTATION AB Microcompression tests were performed on the Al/Nb multilayers of incoherent interfaces with the layer thicknesses of 5 nm Al/5 nm Nb and 50 nm Al/50 nm Nb. The Al-Nb multilayers showed increase in strength as the layer thickness was reduced; the average flow stresses at 5% plastic strain from the 5 nm Al/5 nm Nb and 50 nm Al/50 nm Nb layer thickness specimens were determined to be 2.1 GPa and 1.4 GPa respectively. The results from this Al-Nb microcompression study were compared with those of the previous report on Cu-Nb multilayer microcompression results that indicated that the flow stresses of the Al-Nb multilayer are lower than those of Cu-Nb with the same bilayer spacing. The observed difference in strength was attributed to a potential difference in the interfacial strength of the two incoherent multilayer systems. C1 [Han, Seung Min] Korea Adv Inst Sci & Technol, Grad Sch EEWS, Taejon 35701, South Korea. [Kim, Youbin] Korea Adv Inst Sci & Technol, Grad Sch EEWS, Taejon 305701, South Korea. [Budiman, Arief Suriadi; Baldwin, J. Kevin; Mara, Nathan A.; Misra, Amit] Los Alamos Natl Lab, Ctr Integrated Nanotechnol CINT, Los Alamos, NM 87545 USA. RP Han, SM (reprint author), Korea Adv Inst Sci & Technol, Grad Sch EEWS, Taejon 35701, South Korea. EM smhan01@kaist.ac.kr RI Misra, Amit/H-1087-2012; Han, Seung Min/C-1809-2011; Mara, Nathan/J-4509-2014; OI Mara, Nathan/0000-0002-9135-4693 FU National Research Foundation of Korea [4.0007357, N01110283]; KINC at KAIST [N10110033]; DOE, Office of Science, Office of Basic Energy Sciences, Division of Materials Science and Engineering; Los Alamos National Laboratory (LANL) [LDRD/X93V] FX The research at KAIST was supported by National Research Foundation of Korea under the Contract Nos. 4.0007357, N01110283, and the KINC grant at KAIST under the Contract No. N10110033. LANL authors acknowledge support from DOE, Office of Science, Office of Basic Energy Sciences, Division of Materials Science and Engineering. A.S.B. is supported by the Director, Los Alamos National Laboratory (LANL), under the Director's Postdoctoral Research Fellowship program (LDRD/X93V). NR 40 TC 20 Z9 20 U1 3 U2 36 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD FEB PY 2012 VL 27 IS 3 BP 592 EP 598 DI 10.1557/jmr.2011.414 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 886TT UT WOS:000299877500012 ER PT J AU Budiman, AS Han, SM Li, N Wei, QM Dickerson, P Tamura, N Kunz, M Misra, A AF Budiman, Arief Suriadi Han, Seung-Min Li, Nan Wei, Qiang-Min Dickerson, Patricia Tamura, Nobumichi Kunz, Martin Misra, Amit TI Plasticity in the nanoscale Cu/Nb single-crystal multilayers as revealed by synchrotron Laue x-ray microdiffraction SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID MECHANICAL-PROPERTIES; NANOLAYERED COMPOSITES; DEFORMATION MECHANISMS; SLIP; NANOSTRUCTURES; DIFFRACTION; FABRICATION AB There is much interest in the recent years in the nanoscale metallic multilayered composite materials due to their unusual mechanical properties, such as very high flow strength and stable plastic flow to large strains. These unique mechanical properties have been proposed to result from the interface-dominated plasticity mechanisms in nanoscale composite materials. Studying how the dislocation configurations and densities evolve during deformation will be crucial in understanding the yield, work hardening, and recovery mechanisms in the nanolayered materials. In an effort to shed light on these topics, uniaxial compression experiments on nanoscale Cu/Nb single-crystal multilayer pillars using ex situ synchrotron-based Laue x-ray microdiffraction technique were conducted. Using this approach, we studied the nanoscale Cu/Nb multilayer pillars before and after uniaxial compression to about 14% of plastic strain and found significant Laue peak broadening in the Cu phase, which indicates storage of statistically stored dislocations, while no significant Laue peak broadening was observed in the Nb phase in the nanoscale multilayers. These observations suggest that at 14% plastic strain of the nanolayered pillars, the deformation was dominated by plasticity in the Cu nanolayers and elasticity or possibly a zero net plasticity (due to the possibility of annihilation of interface dislocations) in the Nb nanolayers. C1 [Budiman, Arief Suriadi; Li, Nan; Wei, Qiang-Min; Dickerson, Patricia; Misra, Amit] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Han, Seung-Min] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Han, Seung-Min] Korea Adv Inst Sci & Technol, Grad Sch Energy Environm & Water Sustainabil, Taejon 305701, South Korea. [Tamura, Nobumichi; Kunz, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Budiman, AS (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM suriadi@alumni.stanford.edu RI Kunz, Martin/K-4491-2012; Han, Seung Min/C-1809-2011; Li, Nan /F-8459-2010; Misra, Amit/H-1087-2012 OI Kunz, Martin/0000-0001-9769-9900; Li, Nan /0000-0002-8248-9027; FU Office of Science, Office of Basic Energy Sciences, Materials Sciences Division of the U.S. Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; University of California, Berkeley, California; NSF [0416243]; Los Alamos National Laboratory (LANL) [LDRD/X93V]; National Research Foundation of Korea [N01110283]; KINC at KAIST [N10110033]; Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences FX The authors gratefully acknowledge critical support and infrastructure provided for this work by the Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences. We thank R.G. Hoagland and J.P. Hirth for insightful discussions. W.D. Nix is gratefully acknowledged for his support in providing the nanomechanical testing facility at Stanford. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory and University of California, Berkeley, California. The move of the microdiffraction program from ALS beamline 7.3.3 onto to the ALS superbend source 12.3.2 was enabled through the NSF Grant No. 0416243. One of the authors (ASB) is supported by the Director, Los Alamos National Laboratory (LANL), under the Director's Postdoctoral Research Fellowship program (LDRD/X93V). The research at KAIST was supported by National Research Foundation of Korea under Contract N01110283 and the KINC grant at KAIST under Contract N10110033. NR 36 TC 19 Z9 19 U1 1 U2 37 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD FEB PY 2012 VL 27 IS 3 BP 599 EP 611 DI 10.1557/jmr.2011.421 PG 13 WC Materials Science, Multidisciplinary SC Materials Science GA 886TT UT WOS:000299877500013 ER PT J AU Berg, MJ Wilson, KR Sorensen, CM Chakrabarti, A Ahmed, M AF Berg, Matthew J. Wilson, Kevin R. Sorensen, Christopher M. Chakrabarti, Amit Ahmed, Musahid TI Discrete dipole approximation for low-energy photoelectron emission from NaCl nanoparticles SO JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER LA English DT Article DE Electromagnetic scattering; Internal field; Photoemission; Nanoparticle; Nonspherical particle; Discrete dipole approximation ID PHOTOEMISSION; VACUUM AB This work presents a model for the photoemission of electrons from sodium chloride nanoparticles 50-500 nm in size, illuminated by vacuum ultraviolet light with energy ranging from 9.4 to 10.9 eV. The discrete dipole approximation is used to calculate the electromagnetic field inside the particles, from which the two-dimensional angular distribution of emitted electrons is simulated. The emission is found to favor the particle's geometrically illuminated side, and this asymmetry is compared to previous measurements performed at the Lawrence Berkeley National Laboratory. By modeling the nanoparticles as spheres, the Berkeley group is able to semi-quantitatively account for the observed asymmetry. Here however, the particles are modeled as cubes, which are closer to their actual shape, and the interaction of an emitted electron with the particle surface is also considered. The end result shows that the modeled emission asymmetry for these low-energy electrons is more sensitive to the interaction with the particle-surface than to the specific particle shape, i.e., a sphere or cube. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Berg, Matthew J.] Mississippi State Univ, Dept Phys & Astron, Mississippi State, MS 39762 USA. [Wilson, Kevin R.; Ahmed, Musahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Sorensen, Christopher M.; Chakrabarti, Amit] Kansas State Univ, Dept Phys, Manhattan, KS 66506 USA. RP Berg, MJ (reprint author), Mississippi State Univ, Dept Phys & Astron, Mississippi State, MS 39762 USA. EM mberg81@gmail.com RI Ahmed, Musahid/A-8733-2009; Sorensen, Christopher/G-4900-2013 OI Sorensen, Christopher/0000-0002-1980-3394 FU NASA; Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the US Department of Energy [DE-AC02-05CH11231] FX We thank the Kansas State University electron microscope facility for the SEM images of the NaCl particles used in this work. We also thank two anonymous reviewers for their helpful comments. This work was partly supported by the NASA Graduate Student Researchers Program. K.R. Wilson and M. Ahmed are supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the US Department of Energy under Contract no. DE-AC02-05CH11231. NR 16 TC 7 Z9 7 U1 1 U2 20 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-4073 J9 J QUANT SPECTROSC RA JI J. Quant. Spectrosc. Radiat. Transf. PD FEB PY 2012 VL 113 IS 3 BP 259 EP 265 DI 10.1016/j.jqsrt.2011.10.007 PG 7 WC Optics; Spectroscopy SC Optics; Spectroscopy GA 896SK UT WOS:000300591500007 ER PT J AU Jen, KY Mao, JH Balmain, A AF Jen, K-Y Mao, J-H Balmain, A. TI Sequential Mutations in Notch1 and Fbxw7 in Radiation-Induced Mouse Thymic Lymphomas SO LABORATORY INVESTIGATION LA English DT Meeting Abstract CT 101st Annual Meeting of the United-States-and-Canadian-Academy-of-Pathology (USCAP) CY MAR 17-23, 2012 CL Vancouver, CANADA SP US & Canadian Acad Pathol (USCAP) C1 Univ Calif San Francisco, San Francisco, CA 94143 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0023-6837 J9 LAB INVEST JI Lab. Invest. PD FEB PY 2012 VL 92 SU 1 MA 1443 BP 344A EP 345A PG 2 WC Medicine, Research & Experimental; Pathology SC Research & Experimental Medicine; Pathology GA 885SA UT WOS:000299799901720 ER PT J AU Ngan, W Harnois-Deraps, J Pen, UL McDonald, P MacDonald, I AF Ngan, W. Harnois-Deraps, J. Pen, U. -L. McDonald, P. MacDonald, I. TI Non-Gaussian errors of baryonic acoustic oscillations SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods: statistical; cosmology: observations; dark energy; distance scale; large-scale structure of Universe ID MATTER POWER SPECTRUM; GALAXY REDSHIFT SURVEYS; DARK ENERGY; INFORMATION-CONTENT; SCALE; SAMPLE; MODEL; PEAK AB We revisit the uncertainty in baryon acoustic oscillation (BAO) forecasts and data analyses. In particular, we study how much the uncertainties on both the measured mean dilation scale and the associated error bar are affected by the non-Gaussianity of the non-linear density field. We examine two possible impacts of non-Gaussian analysis. (1) We derive the distance estimators from Gaussian theory, but use 1000 N-body simulations to measure the actual errors, and compare this to the Gaussian prediction. (2) We compute new optimal estimators, which requires the inverse of the non-Gaussian covariance matrix of the matter power spectrum. Obtaining an accurate and precise inversion is challenging, and we opted for a noise reduction technique applied on the covariance matrices. By measuring the bootstrap error on the inverted matrix, this work quantifies for the first time the significance of the non-Gaussian error corrections on the BAO dilation scale. We find that the variance (error squared) on distance measurements can deviate by up to 12 per cent between both estimators, an effect that requires a large number of simulations to be resolved. We next apply a reconstruction algorithm to recover some of the BAO signal that had been smeared by non-linear evolution, and we rerun the analysis. We find that after reconstruction, the rms error on the distance measurement improves by a factor of similar to 1.7 at low redshift (consistent with previous results), and the variance (s2) shows a change of up to 18 per cent between optimal and sub-optimal cases (note, however, that these discrepancies may depend in detail on the procedure used to isolate the BAO signal). We finally discuss the impact of this work on current data analyses. C1 [Ngan, W.; MacDonald, I.] Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Harnois-Deraps, J.; Pen, U. -L.; MacDonald, I.] Canadian Inst Theoret Astrophys, Toronto, ON M5S 3H8, Canada. [Harnois-Deraps, J.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [McDonald, P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [McDonald, P.] Brookhaven Natl Lab, Upton, NY 11375 USA. RP Ngan, W (reprint author), Univ Toronto, Dept Astron & Astrophys, 50 St George St, Toronto, ON M5S 3H4, Canada. EM ngan@astro.utoronto.ca; jharno@cita.utoronto.ca; pen@cita.utoronto.ca; pvmcdonald@lbl.gov; macdon-ald@astro.utoronto.ca OI McDonald, Patrick/0000-0001-8346-8394 FU NSERC FX The authors thank Kiyoshi Masui for valuable help and advice, and acknowledge NSERC for their financial support. The simulations in this work were produced on the Sunnyvale cluster at CITA. NR 42 TC 16 Z9 16 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD FEB PY 2012 VL 419 IS 4 BP 2949 EP 2960 DI 10.1111/j.1365-2966.2011.19936.x PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 873XZ UT WOS:000298920600017 ER PT J AU Tan, MYJ Biswas, R AF Tan, M. Y. J. Biswas, Rahul TI The reliability of the Akaike information criterion method in cosmological model selection SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods: data analysis; methods: statistical; cosmology: theory ID HUBBLE-SPACE-TELESCOPE; ESSENCE SUPERNOVA SURVEY; DARK ENERGY CONSTRAINTS; LIGHT CURVES; PARAMETERS; INFERENCE; UNIVERSE; SKY; OMEGA(LAMBDA); PROBABILITY AB The Akaike information criterion (AIC) has been used as a statistical criterion to compare the appropriateness of different dark energy candidate models underlying a particular data set. Under suitable conditions, the AIC is an indirect estimate of the KullbackLeibler divergence D(T?A) of a candidate model A with respect to the truth T. Thus, a dark energy model with a smaller AIC is ranked as a better model, since it has a smaller KullbackLeibler discrepancy with T. In this paper, we explore the impact of statistical errors in estimating the AIC during model comparison. Using a parametric bootstrap technique, we study the distribution of AIC differences between a set of candidate models due to different realizations of noise in the data and show that the shape and spread of this distribution can be quite varied. We also study the rate of success of the AIC procedure for different values of a threshold parameter popularly used in the literature. For plausible choices of true dark energy models, our studies suggest that investigating such distributions of AIC differences in addition to the threshold is useful in correctly interpreting comparisons of dark energy models using the AIC technique. C1 [Tan, M. Y. J.; Biswas, Rahul] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Biswas, Rahul] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. RP Tan, MYJ (reprint author), Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. EM mjtan2@illinois.edu FU NSF AST [07-08849, 09-08693 ARRA]; Argonne National Laboratory; U.S. Department of Energy, Office of Science [DE-AC02-06CH11357] FX We would like to thank Yoshi Oono for checking the manuscript and providing many insights into the nature of AIC and the bootstrap technique. MYJT was funded in part by Yoshi Oono. During the course of this work, RB was partially supported by NSF AST 07-08849 and NSF AST 09-08693 ARRA and then by Argonne National Laboratory, operated by UChicago Argonne, LLC. Work at Argonne was supported by U.S. Department of Energy, Office of Science under contract DE-AC02-06CH11357. Finally, we would like to express gratitude to the anonymous reviewer whose input substantially improved the tone and direction of this paper. NR 56 TC 11 Z9 11 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD FEB PY 2012 VL 419 IS 4 BP 3292 EP 3303 DI 10.1111/j.1365-2966.2011.19969.x PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 873XZ UT WOS:000298920600042 ER PT J AU Pederson, MR AF Pederson, Mark R. TI Density-functional-based prediction of a spin-ordered open-shell singlet in an unpassivated graphene nanofilm SO PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS LA English DT Article DE DFT; fullerenes; singlet graphene; spin excitations; vibrational spectra ID GENERALIZED GRADIENT APPROXIMATION; ELECTRONIC-STRUCTURE; MAGNETIC-ANISOTROPY; MOLECULES; SIMULATIONS; TRANSITION; ACCURACY; CLUSTERS; SYSTEMS; FORCES AB I briefly review some of the methods, developed at the Naval Research Laboratory, that were used in a variety of collaborations with the Frauenheim group. To aid experimental understanding at that time, we attempted to predict equilibrium structures and also provide calculated vibrational spectra for direct comparison to experimental measurements. Most of our work was on carbon-based systems with a heavy focus on fullerenes and diamond. More recently another pure carbon compound, graphene, has received much attention. In this paper, I present applications of density-functional-based spectroscopic techniques to a single graphene nanofilm and confirm that spin polarization can occur at the edge states. However, antiferromagnetic ordering is preferred over ferro-magnetic ordering. By extracting a Heisenberg Hamiltonian from the calculations the energy of the various spin multiplets can be estimated through diagonalization of this Hamiltonian. The Perdew-Burke-Ernzerhof-density-functional theory (PBE-DFT) results indicate that both antiferromagnetic and ferromagnetic graphene structures are vibrationally stable but that the lowest-energy eigenstate of the system is an open-shell singlet with a gap of approximately 14 cm(-1) to the open-shell triplet state. Consistent with recent work that stabilizes graphene nanofilms via adsorption onto metal surfaces the density functional results presented here show that small graphene nanofilms, while vibrationally stable, will exothermically form previously identified fullerene structures. Vibrational excitation spectra for the 54-atom graphene and fullerene structures are calculated to provide spectroscopic means for distinguishing between the two structures. C1 US DOE, Off Basic Energy Sci, Washington, DC 20585 USA. RP Pederson, MR (reprint author), US DOE, Off Basic Energy Sci, SC22-1, Washington, DC 20585 USA. EM mark.pederson@science.doe.gov FU Office of Naval Research; National Science Foundation including an NSF-DAAD FX Computations performed in this work were accomplished through an allocation from the National Energy Research Scientific Computing Center. Development of the methods used for this work were supported in part by the Office of Naval Research and the National Science Foundation including an NSF-DAAD grant that specifically supported the interactions with the Frauenheim group. M. R. P. thanks D. A. Papaconstantopolous, L. Economou, and Xianwei Sha for interesting discussions on other aspects of graphene. The discussion and results reported here are personal scientific views of the author and are not necessarily representative of priorities of any government agency. NR 64 TC 0 Z9 0 U1 1 U2 28 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0370-1972 J9 PHYS STATUS SOLIDI B JI Phys. Status Solidi B-Basic Solid State Phys. PD FEB PY 2012 VL 249 IS 2 BP 283 EP 291 DI 10.1002/pssb.201100796 PG 9 WC Physics, Condensed Matter SC Physics GA 897XV UT WOS:000300696000008 ER PT J AU Zweben, SJ Terry, JL Agostini, M Hager, R Hughes, JW Myra, JR Pace, DC AF Zweben, S. J. Terry, J. L. Agostini, M. Hager, R. Hughes, J. W. Myra, J. R. Pace, D. C. CA Alcator C-Mod Grp TI Search for zonal flows in the edge turbulence of Alcator C-Mod SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article ID GEODESIC-ACOUSTIC-MODE; PUFF IMAGING EXPERIMENTS; DIII-D TOKAMAK; OFF-LAYER; TRANSPORT; PLASMAS; OSCILLATIONS AB The time-dependent radial and poloidal velocity of edge turbulence is evaluated using a 2D time-delayed cross-correlation analysis of fast camera data from the gas puff imaging (GPI) diagnostic viewing the outer midplane region in Alcator C-Mod. The local poloidal velocity fluctuations are averaged over the poloidal viewing region of the GPI diagnostic and radially resolved over +/- 2 cm around the separatrix. The resulting poloidal velocity usually has a broadband frequency spectrum in the range similar to 1-20 kHz, and a radial correlation width which decreases with increasing line-averaged density. In some cases with ICRH heating there was also a coherent poloidal velocity oscillation at 6-7 kHz which was highly correlated with a poloidal magnetic field oscillation at the same frequency. Some of these results are similar to the geodesic acoustic modes and/or zonal flows described in previous experiments and theory. C1 [Zweben, S. J.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. [Terry, J. L.; Hughes, J. W.] MIT, Cambridge, MA 02139 USA. [Agostini, M.] EURATOM, Consorzio RFX, I-35127 Padua, Italy. [Hager, R.] Max Planck Inst Plasma Phys, D-85748 Garching, Germany. [Myra, J. R.] Lodestar Res Corp, Boulder, CO 80301 USA. [Pace, D. C.] ORISE, Oak Ridge, TN 37831 USA. RP Zweben, SJ (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. EM szweben@pppl.gov OI AGOSTINI, MATTEO/0000-0002-3823-1002; Hager, Robert/0000-0002-4624-3150 FU US DOE [DE-AC02-09CH11466, DE-FC02-99ER5412] FX The authors thank B Davis, D D'Ippolito, P Diamond, T Golfionopoulos, O Grulke, K Hallatschek, T S Hahm, B LaBombard, D Russell, D Stotler, G Tynan, S Wolfe and Alcator C-Mod Team for their contributions or comments. This work was supported in part by US DOE Contracts DE-AC02-09CH11466 and DE-FC02-99ER5412. NR 52 TC 13 Z9 13 U1 3 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD FEB PY 2012 VL 54 IS 2 AR 025008 DI 10.1088/0741-3335/54/2/025008 PG 21 WC Physics, Fluids & Plasmas SC Physics GA 897DT UT WOS:000300624400008 ER PT J AU Leung, B Sun, Q Yerino, CD Han, J Coltrin, ME AF Leung, Benjamin Sun, Qian Yerino, Christopher D. Han, Jung Coltrin, Michael E. TI Using the kinetic Wulff plot to design and control nonpolar and semipolar GaN heteroepitaxy SO SEMICONDUCTOR SCIENCE AND TECHNOLOGY LA English DT Article ID LIGHT-EMITTING-DIODES; VAPOR-PHASE EPITAXY; GALLIUM NITRIDE FILMS; R-PLANE SAPPHIRE; A-PLANE; DEFECT REDUCTION; LATERAL OVERGROWTH; CRYSTAL-SURFACES; SELECTIVE MOVPE; GROWTH AB For nonpolar and semipolar orientations of GaN heteroepitaxially grown on sapphire substrates, the development of growth procedures to improve surface morphology and microstructure has been driven in a largely empirical way. This work attempts to comprehensively link the intrinsic properties of GaN faceted growth, across orientations, in order to understand, design and control growth methods for nonpolar (1 1 2 0) GaN and semipolar (1 1 2 2) GaN on foreign substrates. This is done by constructing a comprehensive series of kinetic Wulff plots (or v-plots) by monitoring the advances of convex and concave facets in selective area growth. A methodology is developed to apply the experimentally determined v-plots to the interpretation and design of evolution dynamics in nucleation and island coalescence. This methodology offers a cohesive and rational model for GaN heteroepitaxy along polar, nonpolar and semipolar orientations, and is broadly extensible to the heteroepitaxy of other materials. We demonstrate furthermore that the control of morphological evolution, based on invoking a detailed knowledge of the v-plots, holds a key to the reduction of microstructural defects through effective bending of dislocations and blocking of stacking faults. The status and outlook of semipolar and nonpolar GaN growth on sapphire substrates will be presented. C1 [Leung, Benjamin; Sun, Qian; Yerino, Christopher D.; Han, Jung] Yale Univ, Dept Elect Engn, New Haven, CT 06520 USA. [Coltrin, Michael E.] Sandia Natl Labs, Adv Mat Sci Dept, Albuquerque, NM 87185 USA. RP Leung, B (reprint author), Yale Univ, Dept Elect Engn, New Haven, CT 06520 USA. EM jung.han@yale.edu RI Sun, Qian/D-4052-2009; Leung, Benjamin/H-1728-2013 FU US Department of Energy Office of Basic Energy Sciences [DE-SC0001134]; US Department of Energy Office of Science; Department of Energy's Solid-State Lighting Science Energy Frontier Research Center; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to acknowledge the financial support from the US Department of Energy Office of Basic Energy Sciences under contract no DE-SC0001134. CDY gratefully acknowledges the support from the US Department of Energy Office of Science Graduate Fellowship. The work performed at Sandia National Laboratories was supported by the Department of Energy's Solid-State Lighting Science Energy Frontier Research Center. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors thank B H Kong and H K Cho for their help with the TEM measurements, and T-S Ko, D Y Moon and E Yoon for CL measurements. NR 76 TC 28 Z9 28 U1 6 U2 76 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0268-1242 J9 SEMICOND SCI TECH JI Semicond. Sci. Technol. PD FEB PY 2012 VL 27 IS 2 AR 024005 DI 10.1088/0268-1242/27/2/024005 PG 12 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Engineering; Materials Science; Physics GA 897IE UT WOS:000300641800006 ER PT J AU Schryver, J Nutaro, J Haire, MJ AF Schryver, J. Nutaro, J. Haire, M. J. TI Metrics for availability analysis using a discrete event simulation method SO SIMULATION MODELLING PRACTICE AND THEORY LA English DT Article DE Availability; Discrete event simulation; Output analysis AB The system performance metric "availability" is a central concept with respect to the concerns of a plant's operators and owners, yet it can be abstract enough to resist explanation at system levels. Hence, there is a need for a system-level metric more closely aligned with a plant's (or, more generally, a system's) raison d'etre. Historically, availability of repairable systems - intrinsic, operational, or otherwise - has been defined as a ratio of times. This paper introduces a new concept of availability, called endogenous availability, defined in terms of a ratio of quantities of product yield. Endogenous availability can be evaluated using a discrete event simulation analysis methodology. A simulation example shows that endogenous availability reduces to conventional availability in a simple series system with different processing rates and without intermediate storage capacity, but diverges from conventional availability when storage capacity is progressively increased. It is shown that conventional availability tends to be conservative when a design includes features, such as in - process storage, that partially decouple the components of a larger system. Published by Elsevier B.V. C1 [Schryver, J.; Nutaro, J.; Haire, M. J.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA. EM schryverjc@ornl.gov; nutarojj@ornl.gov; hairemj@ornl.gov OI Nutaro, James/0000-0001-7360-2836 FU US Department of Energy [DE-AC05-00OR22725] FX This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the US Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges NR 12 TC 3 Z9 3 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1569-190X J9 SIMUL MODEL PRACT TH JI Simul. Model. Pract. Theory PD FEB PY 2012 VL 21 IS 1 BP 114 EP 122 DI 10.1016/j.simpat.2011.10.004 PG 9 WC Computer Science, Interdisciplinary Applications; Computer Science, Software Engineering SC Computer Science GA 896TM UT WOS:000300594300010 ER PT J AU Hagaman, EW Chen, BH Jiao, J Parsons, W AF Hagaman, Edward W. Chen, Banghao Jiao, Jian Parsons, William TI Solid-state O-17 NMR study of benzoic acid adsorption on metal oxide surfaces SO SOLID STATE NUCLEAR MAGNETIC RESONANCE LA English DT Article DE O-17 MAS NMR; O-17 MQMAS NMR; Alumina; Titania; Mesoporous silica; Anatase; Rutile; Adsorption; Surface reaction with benzoic acid; Quadrupole coupling constants ID HYDROGEN-BOND; MOLECULAR-STRUCTURE; CRYSTAL-STRUCTURE; PROTON-TRANSFER; METHOXYBENZOIC ACID; MESOPOROUS SILICA; ANISIC ACID; DYNAMICS; DIMERS; SPECTROSCOPY AB Solid-state O-17 NMR spectra of O-17-labeled benzoic and anisic acids are reported and benzoic acid is used to probe the surface of metal oxides. Complexes formed when benzoic acid is dry mixed with mesoporous silica, and nonporous titania and alumina are characterized. Chemical reactions with silica are not observed. The nature of benzoic acid on silica is a function of the water content of the oxide. The acid disperses in the pores of the silica if the silica is in equilibrium with ambient laboratory humidity. The acid displays high mobility as evidenced by a liquid-like. Lorentzian resonance. Excess benzoic acid remains as the crystalline hydrogen-bonded dimer. Benzoic acid reacts with titania and alumina surfaces in equilibrium with laboratory air to form the corresponding titanium and aluminum benzoates. In both materials the oxygen of the O-17-labeled acid is bound to the metal, showing the reaction proceeds by bond formation between oxygen deficient metal sites and the oxygen of the carboxylic acid. Al-27 MAS NMR confirms this mechanism for the reaction on alumina. Dry mixing of benzoic acid with alumina rapidly quenches pentacoordinate aluminum sites, excellent evidence that these sites are confined to the surface of the alumina particles. (C) 2011 Elsevier Inc. All rights reserved. C1 [Hagaman, Edward W.; Chen, Banghao; Jiao, Jian; Parsons, William] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Hagaman, EW (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA. EM hagamanew@ornl.gov OI Parsons, William/0000-0001-6065-2340 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy; Department of Energy FX Research sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy.; William Parsons was an undergraduate summer intern from Williams College as part of the Science Education Laboratory Internships (SULI) program sponsored by the Department of Energy. NR 52 TC 12 Z9 12 U1 1 U2 47 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0926-2040 EI 1527-3326 J9 SOLID STATE NUCL MAG JI Solid State Nucl. Magn. Reson. PD FEB PY 2012 VL 41 BP 60 EP 67 DI 10.1016/j.ssnmr.2011.12.001 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter; Spectroscopy SC Chemistry; Physics; Spectroscopy GA 895VF UT WOS:000300524100005 PM 22245610 ER PT J AU Ophus, C Ewalds, T AF Ophus, Colin Ewalds, Timo TI Guidelines for quantitative reconstruction of complex exit waves in HRTEM SO ULTRAMICROSCOPY LA English DT Article DE Transmission electron microscopy; Phase retrieval; Algorithm convergence; Iterative wave reconstruction ID ATOMIC-RESOLUTION; PHASE AB We have used a simple analytic model of iterative wave reconstruction from HRTEM focal series to derive reconstruction guidelines. We find that the reconstruction must be padded and that samples with varying thicknesses over the field of view can require a very large number of iterations to correctly converge. We also consider the effect of a detector modulation transfer function, noise and an incorrect estimate on focal plane spacing on iterative wave reconstruction. We have used multislice simulations in 1D and 2D and developed a high-speed, parallelized implementation of exit wave reconstruction to validate our analytic model and demonstrate why convergence is required for quantitative sample thickness measurements. (C) 2011 Elsevier B.V. All rights reserved. C1 [Ophus, Colin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Ewalds, Timo] Univ Alberta, Dept Comp Sci, Edmonton, AB, Canada. RP Ophus, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. EM clophus@lbl.gov RI Ophus, Colin/H-2350-2013; OI Ophus, Colin/0000-0003-2348-8558 FU Natural Sciences and Engineering Research Council of Canada FX We would like to thank Martin Linck, Bastian Barton, Peter Ercius, Abhay Gautam, Ulrich Dahmen and Roar Kilaas for useful discussions, and Velimir Radmilovic for motivating this work. CO would like to acknowledge the financial support of the Natural Sciences and Engineering Research Council of Canada. NR 13 TC 7 Z9 7 U1 0 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD FEB PY 2012 VL 113 BP 88 EP 95 DI 10.1016/j.ultramic.2011.10.016 PG 8 WC Microscopy SC Microscopy GA 896GT UT WOS:000300554400003 ER PT J AU Watanabe, M Allen, FI AF Watanabe, Masashi Allen, Frances I. TI The SmartEFTEM-SI method: Development of a new spectrum-imaging acquisition scheme for quantitative mapping by energy-filtering transmission electron microscopy SO ULTRAMICROSCOPY LA English DT Article DE CCD dark-current correction; Spatial-drift correction; Multiple-frame acquisition; EFTEM-SI spectral processing; EELS quantification ID BIOLOGICAL SPECIMENS; SERIES; SPECTROSCOPY; IMAGES; TEM; SEQUENCES; POLYMERS; CAMERAS; SENSOR; EELS AB A new acquisition scheme for energy-filtering transmission electron microscopy (EFTEM) spectrum-imaging (SI), named SmartEFTEM-SI, has been developed. The new method reduces the influence of CCD dark-current modulations on energy-filtered images and enables improved spatial-drift correction. In conventional EFTEM approaches, elemental maps are significantly degraded especially when these issues are not addressed. The new scheme also offers multiple-frame acquisition at individual energy planes, and the acquisition of a low-loss SI dataset immediately following the high-loss SI dataset recorded for a particular characteristic edge, enabling advanced spectral processing such as multiple-scattering deconvolution and thickness correction. After spectral processing of the high-loss SI datasets using the corresponding low-loss information, the absolute number of atoms of the particular element of interest can be determined. The SmartEFTEM-SI method thus offers absolute elemental quantification of a thin specimen over a large field of view. (C) 2011 Elsevier B.V. All rights reserved. C1 [Watanabe, Masashi] Lehigh Univ, Dept Mat Sci & Engn, Bethlehem, PA 18015 USA. [Allen, Frances I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Allen, Frances I.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Watanabe, M (reprint author), Lehigh Univ, Dept Mat Sci & Engn, 5 E Packer Ave, Bethlehem, PA 18015 USA. EM masashi.watanabe@lehigh.edu FU NSF [DMR-0804528, DMR-1040229]; Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, Materials Sciences, and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The author (MW) wishes to acknowledge financial support from the NSF through grants DMR-0804528 and DMR-1040229. The experiments in Case Study 3 were performed at the National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, which is supported by the Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. FIA wishes to acknowledge financial support provided through the Electron Microscopy of Soft Matter Program 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. NR 42 TC 5 Z9 5 U1 2 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 EI 1879-2723 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD FEB PY 2012 VL 113 BP 106 EP 119 DI 10.1016/j.ultramic.2011.10.014 PG 14 WC Microscopy SC Microscopy GA 896GT UT WOS:000300554400005 ER PT J AU Neelamegam, R Ricq, EL Malvaez, M Patnaik, D Norton, S Carlin, SM Hill, IT Wood, MA Haggarty, SJ Hooker, JM AF Neelamegam, Ramesh Ricq, Emily L. Malvaez, Melissa Patnaik, Debasis Norton, Stephanie Carlin, Stephen M. Hill, Ian T. Wood, Marcelo A. Haggarty, Stephen J. Hooker, Jacob M. TI Brain-Penetrant LSD1 Inhibitors Can Block Memory Consolidation SO ACS CHEMICAL NEUROSCIENCE LA English DT Article DE LSD1; mechanism-based inhibitors; histone demethylase; epigenetics; brain ID HISTONE DEMETHYLASE LSD1; LYSINE-SPECIFIC DEMETHYLASE-1; LONG-TERM-MEMORY; MECHANISM-BASED INACTIVATOR; STRUCTURAL BASIS; CHROMATIN MODIFICATIONS; SILENCED GENES; TRANS-2-PHENYLCYCLOPROPYLAMINE; RECOGNITION; ANALOGS AB Modulation of histone modifications in the brain may represent a new mechanism for brain disorder therapy. Post-translational modifications of histones regulate gene expression, affecting major cellular processes such as proliferation, differentiation, and function. An important enzyme involved in one of these histone modifications is lysine specific demethylase 1 (LSD1). This enzyme is flavin-dependent and exhibits homology to amine oxidases. Parnate 8 (2-phenylcyclopropylamine (2-PCPA); tranylcypromine) is a potent inhibitor of monoamine oxidases, and derivatives of 2-PCPA have been used for development of selective LSD1 inhibitors based on the ability to form covalent adducts with flavin adenine dinucleotide (FAD). Here we report the synthesis and in vitro characterization of LSD1 inhibitors that bond covalently to FAD. The two most potent and selective inhibitors were used to demonstrate brain penetration when administered systemically to rodents. First, radiosynthesis of a positron-emitting analogue was used to obtain preliminary biodistribution data and whole brain time-activity curves. Second, we demonstrate that this series of LSD1 inhibitors is capable of producing a cognitive effect in a mouse model. By using a memory formation paradigm, novel object recognition, we show that LSD1 inhibition can abolish long-term memory formation without affecting short-term memory, providing further evidence for the importance of reversible histone methylation in the function of the nervous system. C1 [Neelamegam, Ramesh; Ricq, Emily L.; Carlin, Stephen M.; Hill, Ian T.; Hooker, Jacob M.] Harvard Univ, Sch Med, Athinoula A Martinos Ctr Biomed Imaging, Massachusetts Gen Hosp,Dept Radiol, Charlestown, MA 02129 USA. [Ricq, Emily L.] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA. [Ricq, Emily L.; Patnaik, Debasis; Norton, Stephanie; Haggarty, Stephen J.] Harvard Univ, Sch Med, Massachusetts Gen Hosp, Ctr Human Genet Res,Dept Neurol, Boston, MA 02114 USA. [Haggarty, Stephen J.] Broad Inst Harvard & MIT, Stanley Ctr Psychiat Res, Cambridge, MA 02142 USA. [Malvaez, Melissa; Wood, Marcelo A.] Univ Calif Irvine, Dept Neurobiol & Behav, Ctr Neurobiol Learning & Memory, Irvine, CA 92697 USA. [Hooker, Jacob M.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Hooker, JM (reprint author), Harvard Univ, Sch Med, Athinoula A Martinos Ctr Biomed Imaging, Massachusetts Gen Hosp,Dept Radiol, Bldg 149,13th St,Suite 2301, Charlestown, MA 02129 USA. EM haggarty@chgr.mgh.harvard.edu; hooker@nmr.mgh.harvard.edu RI Wood, Marcelo/G-9527-2012; Patnaik, Debasis/A-9752-2016; OI Patnaik, Debasis/0000-0002-9829-3352; Hooker, Jacob/0000-0002-9394-7708; Haggarty, Stephen J./0000-0002-7872-168X FU National Institutes of Health [R01DA028301, 1P30DA028800]; National Institute on Drug Abuse [R01DA028301, 1P30DA028800]; Stanley Medical Research Institute FX This research was supported by the National Institutes of Health Grants R01DA028301 and 1P30DA028800. The project described was supported in part by Award Number R01DA028301 (S.J.H.) and 1P30DA028800 (J.M.H.) from the National Institute on Drug Abuse. S.J.H. is also supported by the Stanley Medical Research Institute. NR 56 TC 51 Z9 52 U1 0 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7193 J9 ACS CHEM NEUROSCI JI ACS Chem. Neurosci. PD FEB PY 2012 VL 3 IS 2 BP 120 EP 128 DI 10.1021/cn200104y PG 9 WC Biochemistry & Molecular Biology; Chemistry, Medicinal; Neurosciences SC Biochemistry & Molecular Biology; Pharmacology & Pharmacy; Neurosciences & Neurology GA 894YV UT WOS:000300464300006 PM 22754608 ER PT J AU Brisard, S Chae, RS Bihannic, I Michot, L Guttmann, P Thieme, J Schneider, G Monteiro, PJM Levitz, P AF Brisard, Sebastien Chae, Rosie S. Bihannic, Isabelle Michot, Laurent Guttmann, Peter Thieme, Juergen Schneider, Gerd Monteiro, Paulo J. M. Levitz, Pierre TI Morphological quantification of hierarchical geomaterials by X-ray nano-CT bridges the gap from nano to micro length scales SO AMERICAN MINERALOGIST LA English DT Article DE New technique; X-ray nanotomography; clay suspension; cement pastes ID CEMENT; MICROSTRUCTURE; SCATTERING; SILICATE AB Morphological quantification of the complex structure of hierarchical geomaterials is of great relevance for Earth science and environmental engineering, among others. To date, methods that quantify the 3D morphology on length scales ranging from a few tens of nanometers to several hundred nanometers have had limited success. We demonstrate, for the first time, that it is possible to go beyond visualization and to extract quantitative morphological information from X-ray images in the aforementioned length scales. As examples, two different hierarchical geomaterials exhibiting complex porous structures ranging from nanometer to macroscopic scale are studied: a flocculated clay water suspension and two hydrated cement pastes. We show that from a single projection image it is possible to perform a direct computation of the ultra-small angle-scattering spectra. The predictions matched very well the experimental data obtained by the best ultra-small angle-scattering experimental setups as observed for the cement paste. In this context, we demonstrate that the structure of flocculated clay suspension exhibit two well-distinct regimes of aggregation, a dense mass fractal aggregation at short distance and a more open structure at large distance, which can be generated by a 3D reaction limited cluster-cluster aggregation process. For the first time, a high-resolution 3D image of fibrillar cement paste cluster was obtained from limited angle nanotomography. C1 [Brisard, Sebastien] IFSTTAR, Dept MACS, F-75732 Paris, France. [Chae, Rosie S.; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Bihannic, Isabelle; Michot, Laurent] Nancy Univ, CNRS, Lab Environm & Mineralurgie, F-54501 Vandoeuvre Les Nancy, France. [Guttmann, Peter; Schneider, Gerd] Helmholtz Zentrum Mat & Energie GmbH, Electron Storage Ring BESSY 2, D-12489 Berlin, Germany. [Thieme, Juergen] Brookhaven Natl Lab, Upton, NY 11973 USA. [Levitz, Pierre] Univ Paris 06, CNRS, Lab PECSA, F-75252 Paris, France. RP Brisard, S (reprint author), IFSTTAR, Dept MACS, 58 Blvd Lefebvre, F-75732 Paris, France. EM pierre.levitz@upmc.fr RI Bihannic, Isabelle/D-5793-2012; Thieme, Juergen/D-6814-2013; Guttmann, Peter/H-9869-2015 OI Bihannic, Isabelle/0000-0001-9780-2509; Guttmann, Peter/0000-0002-0534-238X FU ANR; CNRS-CPR, King Abdullah University of Science and Technology (KAUST) [KUS-11-004021] FX This publication was based on work supported in part by ANR program M POMODIM, the CNRS-CPR "Porosity, transport, and resistance" program and Award No. KUS-11-004021, made by King Abdullah University of Science and Technology (KAUST). We thank M. Thiery and V. Baroghel-Bouny at IFFSTAR (Paris) for providing the two-year-old cement paste. Small-angle and wide-angle X-ray scattering experiments were carried out on beamline A2 at Hasylab (flocculated clays) and at SOLEIL on beamline SWING (cement paste). This work is dedicated to the memory of Olivier Coussy (1952-2010). NR 16 TC 27 Z9 27 U1 2 U2 34 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 FEB-MAR PY 2012 VL 97 IS 2-3 BP 480 EP 483 DI 10.2138/am.2012.3985 PG 4 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 891ID UT WOS:000300209500026 ER PT J AU Ma, CB Yeung, ES Qi, SD Han, R AF Ma, Changbei Yeung, Edward S. Qi, Shengda Han, Rui TI Highly sensitive detection of microRNA by chemiluminescence based on enzymatic polymerization SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE MicroRNA; Chemiluminescence; Array ID ROLLING-CIRCLE AMPLIFICATION; GENE-EXPRESSION; CAPILLARY-ELECTROPHORESIS; RNA; MICROARRAY; SURFACE; MIRNAS; CANCER; CELLS; LNA AB We have developed a new methodology for miRNA assay using chemiluminescence imaging by poly(U) polymerase catalyzed miRNA polymerization. This method is very sensitive with a 50 fM limit of detection, which is comparable to or better than current assay methods. Multiplex detection for miRNA can be easily realized by introducing different capture probes onto the biosensor array, which will make it highly versatile for various research purposes. C1 [Ma, Changbei; Yeung, Edward S.; Qi, Shengda; Han, Rui] US DOE, Ames Lab, Ames, IA 50011 USA. [Ma, Changbei; Yeung, Edward S.; Qi, Shengda; Han, Rui] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Yeung, ES (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM yeung@ameslab.gov FU U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358]; Office of Basic Energy Science, Division of Chemical Sciences FX The Ames Laboratory 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 Director of Science, Office of Basic Energy Science, Division of Chemical Sciences. NR 36 TC 14 Z9 14 U1 5 U2 48 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD FEB PY 2012 VL 402 IS 6 BP 2217 EP 2220 DI 10.1007/s00216-011-5653-4 PG 4 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 892TL UT WOS:000300308400023 PM 22200928 ER PT J AU Liao, HH Myung, SW Zhang, YHP AF Liao, Hehuan Myung, Suwan Zhang, Y. -H. Percival TI One-step purification and immobilization of thermophilic polyphosphate glucokinase from Thermobifida fusca YX: glucose-6-phosphate generation without ATP SO APPLIED MICROBIOLOGY AND BIOTECHNOLOGY LA English DT Article DE Enzymatic building block; Cascade enzyme reaction; One-step purification and immobilization; Polyphosphate glucokinase; Synthetic pathway biotransformation (SyPaB); Thermobifida fusca ID CAPACITY CELLULOSIC ADSORBENT; SYNTHETIC ENZYMATIC PATHWAY; FREE PROTEIN-SYNTHESIS; GLUCOSE PHOSPHOTRANSFERASE; MYCOBACTERIUM-TUBERCULOSIS; INORGANIC POLYPHOSPHATE; AFFINITY ADSORPTION; ESCHERICHIA-COLI; BINDING MODULE; THERMOSTABILITY AB The discovery of stable and active polyphosphate glucokinase (PPGK, EC 2.7.1.63) would be vital to cascade enzyme biocatalysis that does not require a costly ATP input. An open reading frame Tfu_1811 from Thermobifida fusca YX encoding a putative PPGK was cloned and the recombinant protein fused with a family 3 cellulose-binding module (CBM-PPGK) was overexpressed in Escherichia coli. Mg2+ was an indispensible activator. This enzyme exhibited the highest activity in the presence of 4 mM Mg2+ at 55 degrees C and pH 9.0. Under its suboptimal conditions (pH 7.5), the k(cat) and K-m values of CBM-PPGK on glucose were 96.9 and 39.7 s(-1) as well as 0.77 and 0.45 mM at 37 degrees C and 50 degrees C respectively. The thermoinactivation of CBM-PPGK was independent of its mass concentration. Through one-step enzyme purification and immobilization on a high-capacity regenerated amorphous cellulose, immobilized CBM-PPGK had an approximately eightfold half lifetime enhancement (i.e., t(1/2)=120 min) as compared to free enzyme at 50 degrees C. To our limited knowledge, this enzyme was the first thermostable PPGK reported. Free PPGK and immobilized CBM-PPGK had total turnover number values of 126,000 and 961,000 mol product per mol enzyme, respectively, suggesting their great potential in glucose-6-phosphate generation based on low-cost polyphosphate. C1 [Liao, Hehuan; Myung, Suwan; Zhang, Y. -H. Percival] Virginia Polytech Inst & State Univ Virginia Tech, Dept Biol Syst Engn, Blacksburg, VA 24061 USA. [Myung, Suwan; Zhang, Y. -H. Percival] Virginia Polytech Inst & State Univ, ICTAS, Blacksburg, VA 24061 USA. [Zhang, Y. -H. Percival] DOE BioEnergy Sci Ctr BESC, Oak Ridge, TN 37831 USA. [Zhang, Y. -H. Percival] Gate Fuels Inc, Blacksburg, VA 24060 USA. RP Zhang, YHP (reprint author), Virginia Polytech Inst & State Univ Virginia Tech, Dept Biol Syst Engn, 210-A Seitz Hall, Blacksburg, VA 24061 USA. EM ypzhang@vt.edu FU Biological Systems Engineering Department of Virginia Tech; Air Force Office of Scientific Research [FA9550-08-1-0145]; USDA Biodesign and Bioprocess Center; DOE BESC; China Scholarship Council; ICTAS FX This work was not possible without support from the Biological Systems Engineering Department of Virginia Tech, the Air Force Office of Scientific Research (FA9550-08-1-0145), the USDA Biodesign and Bioprocess Center, and DOE BESC to YPZ. HL was partially supported by the China Scholarship Council. SM was partially supported by ICTAS through ICTAS Scholarship. We were grateful for the genomic DNA sample provided by Dr. David Wilson at Cornell University. NR 44 TC 23 Z9 23 U1 2 U2 24 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0175-7598 J9 APPL MICROBIOL BIOT JI Appl. Microbiol. Biotechnol. PD FEB PY 2012 VL 93 IS 3 BP 1109 EP 1117 DI 10.1007/s00253-011-3458-1 PG 9 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 892JM UT WOS:000300282500019 PM 21766194 ER PT J AU Perrotin, A Mormino, EC Madison, CM Hayenga, AO Jagust, WJ AF Perrotin, Audrey Mormino, Elizabeth C. Madison, Cindee M. Hayenga, Amynta O. Jagust, William J. TI Subjective Cognition and Amyloid Deposition Imaging A Pittsburgh Compound B Positron Emission Tomography Study in Normal Elderly Individuals SO ARCHIVES OF NEUROLOGY LA English DT Article ID ALZHEIMERS-DISEASE; MEMORY COMPLAINTS; OLDER-ADULTS; APOE GENOTYPE; IMPAIRMENT; VOLUME; BRAIN; POPULATION; AWARENESS; DEMENTIA AB Objective: To study the relationship between subjective cognition and the neuropathological hallmark of Alzheimer disease (AD), amyloid-beta (A beta) deposition, using carbon 11-labeled Pittsburgh Compound B (PiB) positron emission tomography in normal elderly individuals. Design: Cross-sectional analysis. Subjects: Forty-eight cognitively normal elderly subjects (11 with high PiB uptake and 28 with low PiB uptake) were included. All underwent clinical and neuropsychological evaluations, magnetic resonance imaging, and positron emission tomography. Setting: Berkeley Aging Cohort Study. Main Outcome Measure: Relationship between PiB uptake and subjective cognition measures. Results: Subjects with high PiB uptake showed significantly lower performance than those with low PiB uptake on an episodic memory measure and were less confident about their general memory abilities when required to evaluate themselves relative to other people of the same age. High and low PiB uptake groups did not differ on the accuracy of their cognitive self-reports compared with objective cognitive performance. General memory self-reports from the whole group were significantly correlated with regional PiB uptake in the right medial prefrontal cortex and anterior cingulate cortex and in the right precuneus and posterior cingulate cortex. Reduced confidence about memory abilities was associated with greater PiB uptake in these brain regions. All results were independent of demographic variables and depressive affects. Conclusions: A decrease of self-confidence about memory abilities in cognitively normal elderly subjects may be related to the neuropathological hallmark of AD measured with PiB-positron emission tomography. Subjective cognitive impairment may represent a very early clinical manifestation of AD. C1 [Perrotin, Audrey] Univ Caen Basse Normandie, Inst Natl Sante & Rech Med, Ecole Prat Hautes Etud, Unite Rech U923,Grp Interet Publ Cyceron,Ctr Hosp, F-14074 Caen 05, France. [Perrotin, Audrey; Mormino, Elizabeth C.; Madison, Cindee M.; Hayenga, Amynta O.; Jagust, William J.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Jagust, William J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Perrotin, A (reprint author), Univ Caen Basse Normandie, Inst Natl Sante & Rech Med, Ecole Prat Hautes Etud, Unite Rech U923,Grp Interet Publ Cyceron, Bd Becquerel BP 5229, F-14074 Caen 05, France. EM audrey.perrotin@gmail.com FU National Institute on Aging [AG027859]; Alzheimer's Association [ZEN-08-87090]; French Ministry of Foreign and European Affairs; France-Berkeley Fund; Therese et Rene Planiol foundation; Societe de Neuropsychologie de Langue Francaise association FX This study was supported by grant AG027859 from the National Institute on Aging, grant ZEN-08-87090 from the Alzheimer's Association, the Lavoisier grant from the French Ministry of Foreign and European Affairs, the France-Berkeley Fund, the Therese et Rene Planiol foundation, and the Societe de Neuropsychologie de Langue Francaise association. NR 54 TC 74 Z9 75 U1 0 U2 8 PU AMER MEDICAL ASSOC PI CHICAGO PA 515 N STATE ST, CHICAGO, IL 60654-0946 USA SN 0003-9942 J9 ARCH NEUROL-CHICAGO JI Arch. Neurol. PD FEB PY 2012 VL 69 IS 2 BP 223 EP 229 PG 7 WC Clinical Neurology SC Neurosciences & Neurology GA 891NV UT WOS:000300224800010 PM 22332189 ER PT J AU Ogliore, RC Huss, GR Nagashima, K Butterworth, AL Gainsforth, Z Stodolna, J Westphal, AJ Joswiak, D Tyliszczak, T AF Ogliore, R. C. Huss, G. R. Nagashima, K. Butterworth, A. L. Gainsforth, Z. Stodolna, J. Westphal, A. J. Joswiak, D. Tyliszczak, T. TI INCORPORATION OF A LATE-FORMING CHONDRULE INTO COMET WILD 2 SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE comets: individual (Wild 2); Kuiper belt: general; planets and satellites: formation; planets and satellites: individual (Jupiter) ID EARLY SOLAR-SYSTEM; CARBONACEOUS-CHONDRITE; OXYGEN-ISOTOPE; FERROMAGNESIAN CHONDRULES; LOW-MASS; NEBULA; AL-26; ORIGIN; MINERALOGY; TRANSPORT AB We report the petrology, O isotopic composition, and Al-Mg isotope systematics of a chondrule fragment from the Jupiter-family comet Wild 2, returned to Earth by NASA's Stardust mission. This object shows characteristics of a type II chondrule that formed from an evolved oxygen isotopic reservoir. No evidence for extinct Al-26 was found, with (Al-26/Al-27)(0) < 3.0 x 10(-6). Assuming homogenous distribution of Al-26 in the solar nebula, this particle crystallized at least 3 Myr after the earliest solar system objects-relatively late compared to most chondrules in meteorites. We interpret the presence of this object in a Kuiper Belt body as evidence of late, large-scale transport of small objects between the inner and outer solar nebula. Our observations constrain the formation of Jupiter (a barrier to outward transport if it formed further from the Sun than this cometary chondrule) to be more than 3 Myr after calcium-aluminum-rich inclusions. C1 [Ogliore, R. C.; Huss, G. R.; Nagashima, K.] Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. [Butterworth, A. L.; Gainsforth, Z.; Stodolna, J.; Westphal, A. J.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Joswiak, D.] Univ Washington, Dept Astron, Seattle, WA 98195 USA. [Tyliszczak, T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Ogliore, RC (reprint author), Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. FU NASA [NNX07AM62G, NNX07AM67G]; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by NASA grant NNX07AM62G (G.R.H.) and NNX07AM67G (A.J.W.). The operations of the Advanced Light Source and National Center for Electron Microscopy at Lawrence Berkeley National Laboratory are supported by the Director, Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy under contract number DE-AC02-05CH11231. The authors thank the anonymous reviewer for helpful suggestions. Iris was named by Laura Westphal. NR 50 TC 34 Z9 34 U1 0 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2041-8205 J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD FEB 1 PY 2012 VL 745 IS 2 AR L19 DI 10.1088/2041-8205/745/2/L19 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 891PJ UT WOS:000300228800004 ER PT J AU Gumbart, J Khalili-Araghi, F Sotomayor, M Roux, B AF Gumbart, James Khalili-Araghi, Fatemeh Sotomayor, Marcos Roux, Benoit TI Constant electric field simulations of the membrane potential illustrated with simple systems SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES LA English DT Article DE Electrostatics; Electrodes; Free energy; Patch clamp ID MOLECULAR-DYNAMICS SIMULATIONS; IONIC CHARGE IMBALANCE; CHANNEL VOLTAGE SENSOR; POTASSIUM CHANNEL; GATING CHARGE; SILICA NANOPORES; LIPID-MEMBRANES; GRAMICIDIN-A; K+ CHANNELS; FREE-ENERGY AB Advances in modern computational methods and technology make it possible to carry out extensive molecular dynamics simulations of complex membrane proteins based on detailed atomic models. The ultimate goal of such detailed simulations is to produce trajectories in which the behavior of the system is as realistic as possible. A critical aspect that requires consideration in the case of biological membrane systems is the existence of a net electric potential difference across the membrane. For meaningful computations, it is important to have well validated methodologies for incorporating the latter in molecular dynamics simulations. A widely used treatment of the membrane potential in molecular dynamics consists of applying an external uniform electric field E perpendicular to the membrane. The field acts on all charged particles throughout the simulated system, and the resulting applied membrane potential V is equal to the applied electric field times the length of the periodic cell in the direction perpendicular to the membrane. A series of test simulations based on simple membrane-slab models are carried out to clarify the consequences of the applied field. These illustrative tests demonstrate that the constant-field method is a simple and valid approach for accounting for the membrane potential in molecular dynamics studies of biomolecular systems. This article is part of a Special Issue entitled: Membrane protein structure and function. (C) 2011 Elsevier B.V. All rights reserved. C1 [Khalili-Araghi, Fatemeh; Roux, Benoit] Univ Chicago, Dept Biochem & Mol Biol, Gordon Ctr Integrat Sci, Chicago, IL 60637 USA. [Gumbart, James; Roux, Benoit] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Sotomayor, Marcos] Harvard Univ, Sch Med, Dept Neurobiol, Boston, MA 02115 USA. [Sotomayor, Marcos] Harvard Univ, Sch Med, Howard Hughes Med Inst, Boston, MA 02115 USA. RP Roux, B (reprint author), Univ Chicago, Dept Biochem & Mol Biol, Gordon Ctr Integrat Sci, 920 E 58Th St, Chicago, IL 60637 USA. EM roux@uchicago.edu RI Sotomayor, Marcos/J-4898-2012 OI Sotomayor, Marcos/0000-0002-3333-1805 FU National Institutes of Health [R01-GM062342, U54-GM087519] FX This work was supported by grants R01-GM062342 and U54-GM087519 from the National Institutes of Health. J.G. is a Director's Postdoctoral Fellow at Argonne National Laboratory. M.S. is an HHMI fellow of the Helen Hay Whitney Foundation. NR 63 TC 42 Z9 42 U1 2 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2736 EI 0006-3002 J9 BBA-BIOMEMBRANES JI Biochim. Biophys. Acta-Biomembr. PD FEB PY 2012 VL 1818 IS 2 SI SI BP 294 EP 302 DI 10.1016/j.bbamem.2011.09.030 PG 9 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 893TY UT WOS:000300380000021 PM 22001851 ER PT J AU Olsen, BN Schlesinger, PH Ory, DS Baker, NA AF Olsen, Brett N. Schlesinger, Paul H. Ory, Daniel S. Baker, Nathan A. TI Side-chain oxysterols: From cells to membranes to molecules SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES LA English DT Review DE Oxysterol; Cholesterol; Sterol; Homeostasis; Molecular dynamics ID ENDOPLASMIC-RETICULUM CHOLESTEROL; STEROL-SENSING DOMAIN; HMG COA REDUCTASE; ACID SYNTHESIS; LIPID RAFTS; LXR-ALPHA; HOMEOSTASIS; BINDING; PROTEIN; PATHWAY AB This review discusses the application of cellular biology, molecular biophysics, and computational simulation to understand membrane-mediated mechanisms by which oxysterols regulate cholesterol homeostasis. Side-chain oxysterols, which are produced enzymatically in vivo, are physiological regulators of cholesterol homeostasis and primarily serve as cellular signals for excess cholesterol. These oxysterols regulate cholesterol homeostasis through both transcriptional and non-transcriptional pathways; however, many molecular details of their interactions in these pathways are still not well understood. Cholesterol trafficking provides one mechanism for regulation. The current model of cholesterol trafficking regulation is based on the existence of two distinct cholesterol pools in the membrane: a low and a high availability/activity pool. It is proposed that the low availability/activity pool of cholesterol is integrated into tightly packing phospholipids and relatively inaccessible to water or cellular proteins, while the high availability cholesterol pool is more mobile in the membrane and is present in membranes where the phospholipids are not as compressed. Recent results suggest that oxysterols may promote cholesterol egress from membranes by shifting cholesterol from the low to the high activity pools. Furthermore, molecular simulations suggest a potential mechanism for oxysterol "activation" of cholesterol through its displacement in the membrane. This review discusses these results as well as several other important interactions between oxysterols and cholesterol in cellular and model lipid membranes. This article is part of a Special Issue entitled: Membrane protein structure and function. (C) 2011 Elsevier B.V. All rights reserved. C1 [Baker, Nathan A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Olsen, Brett N.; Ory, Daniel S.] Washington Univ, St Louis Sch Med, Diabet Cardiovasc Dis Ctr, St Louis, MO 63130 USA. [Schlesinger, Paul H.] Washington Univ, St Louis Sch Med, Dept Cell Biol & Physiol, St Louis, MO 63130 USA. RP Baker, NA (reprint author), Pacific NW Natl Lab, POB 999,MSID K7-28, Richland, WA 99352 USA. EM nathan.baker@pnnl.gov RI Schlesinger, Paul/C-6049-2012; Baker, Nathan/A-8605-2010 OI Baker, Nathan/0000-0002-5892-6506 FU National Institutes of Health [R01 HL067773]; Texas Advanced Computing Center [TG-MCB060053, TG-MCA08X003]; National Biomedical Computation Resource (NIH) [P41 RR0860516] FX This work was supported by the National Institutes of Health grant R01 HL067773. Computational resources were provided by the Texas Advanced Computing Center through Teragrid grants TG-MCB060053 and TG-MCA08X003 as well as the National Biomedical Computation Resource (NIH P41 RR0860516). NR 49 TC 20 Z9 20 U1 0 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2736 J9 BBA-BIOMEMBRANES JI Biochim. Biophys. Acta-Biomembr. PD FEB PY 2012 VL 1818 IS 2 SI SI BP 330 EP 336 DI 10.1016/j.bbamem.2011.06.014 PG 7 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 893TY UT WOS:000300380000024 PM 21745458 ER PT J AU Bals, BD Dale, BE AF Bals, Bryan D. Dale, Bruce E. TI Developing a model for assessing biomass processing technologies within a local biomass processing depot SO BIORESOURCE TECHNOLOGY LA English DT Article DE Techno-economic analysis; Local processing; APEX; Fast pyrolysis; Leaf protein ID BIO-OIL; ECONOMIC-ANALYSIS; PYROLYSIS; BIOFUELS; CHALLENGES; ETHANOL; PROTEIN; SIZE AB One solution to the supply chain challenges of cellulosic biofuels is a network of local biomass processing depots (LBPDs) that can produce stable, dense, intermediate commodities and valuable co-products prior to shipping to a refinery. A techno-economic model of an LBPD facility that could incorporate multiple technologies and products was developed in Microsoft Excel to be used to economically and environmentally evaluate potential LBPD systems. In this study, three technologies (ammonia fiber expansion or AFEX (TM) pretreatment, fast pyrolysis, and leaf protein processing) were assessed for profitability. Pyrolysis was slightly profitable under the base conditions, leaf protein processing was highly unprofitable, and AFEX was profitable if biomass drying was not required. This model can be adapted to multiple feed-stocks and end uses, including both economic and environmental modeling. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Bals, Bryan D.] Michigan State Univ, Biomass Convers Res Lab, Dept Chem Engn & Mat Sci, Lansing, MI 48910 USA. Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. RP Bals, BD (reprint author), Michigan State Univ, Biomass Convers Res Lab, Dept Chem Engn & Mat Sci, 3815 Technol Blvd, Lansing, MI 48910 USA. EM balsbrya@msu.edu FU DOE Great Lakes Bioenergy Research Center; US Department of Energy, Office of Science, Office of Biological and Environmental Research [DEFC02-07ER64494] FX This work was funded by DOE Great Lakes Bioenergy Research Center (www.greatlakesbioenergy.org) supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, through Cooperative Agreement DEFC02-07ER64494. AFEX is a trademark of MBI International. We would like to thank Dr. FarzanehTeymouri and Tim Campbell of MBI International for their assistance in developing the AFEX-model, and Dr. Kasiviswanathan Muthukumarappan of South Dakota State University for information on densification. In addition, we thank Julie Sinistore and Dr. Doug Reinemann of the University of Wisconsin for their support and internal review of the model. NR 37 TC 22 Z9 22 U1 1 U2 34 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD FEB PY 2012 VL 106 BP 161 EP 169 DI 10.1016/j.biortech.2011.12.024 PG 9 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 892EW UT WOS:000300270500023 PM 22209136 ER PT J AU Arora, HC Jensen, MP Yuan, Y Wu, AG Vogt, S Paunesku, T Woloschak, GE AF Arora, Hans C. Jensen, Mark P. Yuan, Ye Wu, Aiguo Vogt, Stefan Paunesku, Tatjana Woloschak, Gayle E. TI Nanocarriers Enhance Doxorubicin Uptake in Drug-Resistant Ovarian Cancer Cells SO CANCER RESEARCH LA English DT Article ID TITANIUM-DIOXIDE SURFACES; ADRIAMYCIN RESISTANCE; MEDIATED ENDOCYTOSIS; ANTITUMOR-ACTIVITY; TRANSFERRIN; NANOPARTICLES; ANATASE; ADSORPTION; EXPRESSION; AGENTS AB Resistance to anthracyclines and other chemotherapeutics due to P-glycoprotein (pgp)-mediated export is a frequent problem in cancer treatment. Here, we report that iron oxide-titanium dioxide core-shell nanocomposites can serve as efficient carriers for doxorubicin to overcome this common mechanism of drug resistance in cancer cells. Doxorubicin nanocarriers (DNC) increased effective drug uptake in drug-resistant ovarian cells. Mechanistically, doxorubicin bound to the TiO2 surface by a labile bond that was severed upon acidification within cell endosomes. Upon its release, doxorubicin traversed the intracellular milieu and entered the cell nucleus by a route that evaded pgp-mediated drug export. Confocal and X-ray fluorescence microscopy and flow cytometry were used to show the ability of DNCs to modulate transferrin uptake and distribution in cells. Increased transferrin uptake occurred through clathrin-mediated endocytosis, indicating that nanocomposites and DNCs may both interfere with removal of transferrin from cells. Together, our findings show that DNCs not only provide an alternative route of delivery of doxorubicin to pgp-overexpressing cancer cells but also may boost the uptake of transferrin-tagged therapeutic agents. Cancer Res; 72(3); 769-78. (C) 2011 AACR. C1 [Arora, Hans C.; Yuan, Ye; Paunesku, Tatjana; Woloschak, Gayle E.] Northwestern Univ, Feinberg Sch Med, Dept Radiat Oncol, Chicago, IL 60611 USA. [Paunesku, Tatjana; Woloschak, Gayle E.] Northwestern Univ, Feinberg Sch Med, Dept Radiol, Chicago, IL 60611 USA. [Jensen, Mark P.] Argonne Natl Lab, Adv Photon Source, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Vogt, Stefan] Argonne Natl Lab, Adv Photon Source, Xray Operat & Res Div, Argonne, IL 60439 USA. [Wu, Aiguo] Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Ningbo, Zhejiang, Peoples R China. RP Paunesku, T (reprint author), Northwestern Univ, Feinberg Sch Med, Dept Radiat Oncol, 303 E Chicago Ave,Ward Bldg,Room 13-007, Chicago, IL 60611 USA. EM tpaunesku@northwestern.edu RI Wu, Aiguo/A-5414-2008; Jensen, Mark/G-9131-2012; Wu, Aiguo/C-1837-2015; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; Paunesku, Tatjana/A-3488-2017; Woloschak, Gayle/A-3799-2017 OI Jensen, Mark/0000-0003-4494-6693; Wu, Aiguo/0000-0001-7200-8923; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; Paunesku, Tatjana/0000-0001-8698-2938; Woloschak, Gayle/0000-0001-9209-8954 FU NIH [CA107467, EB002100, P50 CA89018, U54CA119341, 5 T32 CA 9560-23]; Northwestern University Clinical and Translational Sciences (NUCATS) Institute TL1 NIH/NCRR/OD [5TL1RR025739]; American Medical Association Foundation; NCI CCSG [P30 CA060553]; NCI [CA060553]; NASA Ames Research Center [NNA04CC36G]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the following NIH grants: CA107467, EB002100, P50 CA89018, and U54CA119341; in addition, H. C. Arora was supported by NIH Carcinogenesis Training Grant 5 T32 CA 9560-23 and the Northwestern University Clinical and Translational Sciences (NUCATS) Institute TL1 NIH/NCRR/OD 5TL1RR025739 and the American Medical Association Foundation Seed Grant Research Program. Cell Imaging Facility is additionally supported by NCI CCSG P30 CA060553 and Flow Cytometry Facility by NCI CA060553. ICP-MS metal analysis characterization was carried out at the Northwestern University Quantitative Bioelemental Imaging Center supported by NASA Ames Research Center grant NNA04CC36G. Work at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Contract No. DE-AC02-06CH11357. NR 50 TC 50 Z9 50 U1 6 U2 42 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 EI 1538-7445 J9 CANCER RES JI Cancer Res. PD FEB 1 PY 2012 VL 72 IS 3 BP 769 EP 778 DI 10.1158/0008-5472.CAN-11-2890 PG 10 WC Oncology SC Oncology GA 894CZ UT WOS:000300405900021 PM 22158944 ER PT J AU Dai, J Lu, XY Quan, SW Zhang, BC Lin, L Hao, JK Zhu, F Xu, WC He, FS Jin, S Wang, F Liu, KX Geng, RL Zhao, K AF Dai Jing Lu Xiang-Yang Quan Sheng-Wen Zhang Bao-Cheng Lin Lin Hao Jian-Kui Zhu Feng Xu Wen-Can He Fei-Si Jin Song Wang Fang Liu Ke-Xin Geng, R. L. Zhao Kui TI Cold RF test and associated mechanical features correlation of a TESLA-style 9-cell superconducting niobium cavity built in China SO CHINESE PHYSICS C LA English DT Article DE superconducting cavity; unloaded quality factor; field emission AB The RF performance of a 1.3 GHz 9-cell superconducting niobium cavity was evaluated at cryogenic temperatures following surface processing by using the standard ILC-style recipe. The cavity is a TESLA-style 9-cell superconducting niobium cavity, with complete end group components including a higher order mode coupler, built in China for practical applications. An accelerating gradient of 28.6 MV/m was achieved at an unloaded quality factor of 4 x 10(9). The morphological property of mechanical features on the RF surface of this cavity was characterized through optical inspection. Correlation between the observed mechanical features and the RF performance of the cavity is attempted. C1 [Dai Jing; Lu Xiang-Yang; Quan Sheng-Wen; Zhang Bao-Cheng; Lin Lin; Hao Jian-Kui; Zhu Feng; Xu Wen-Can; He Fei-Si; Jin Song; Wang Fang; Liu Ke-Xin; Zhao Kui] Peking Univ, Inst Heavy Ion Phys, Beijing 100871, Peoples R China. [Geng, R. L.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. RP Dai, J (reprint author), Peking Univ, Inst Heavy Ion Phys, Beijing 100871, Peoples R China. EM kzhao@pku.edu.cn FU Major State Basic Research Development Program of China (973 Program) FX Supported by Major State Basic Research Development Program of China (973 Program) NR 6 TC 0 Z9 0 U1 0 U2 0 PU CHINESE PHYSICAL SOC PI BEIJING PA P O BOX 603, BEIJING 100080, PEOPLES R CHINA SN 1674-1137 J9 CHINESE PHYS C JI Chin. Phys. C PD FEB PY 2012 VL 36 IS 2 BP 156 EP 159 DI 10.1088/1674-1137/36/2/010 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 893VO UT WOS:000300386000010 ER PT J AU Pei, SL Adolphsen, CE Li, ZH Solyak, NA Gonin, IV AF Pei Shi-Lun Adolphsen, Chris E. Li Zeng-Hai Solyak, Nikolay A. Gonin, Ivan V. TI RF thermal and new cold part design studies on a TTF-III input coupler for Project-X SO CHINESE PHYSICS C LA English DT Article DE RF thermal effect; TTF-III input coupler; multipacting; dynamic RF power loss; static thermal loss AB An RF power coupler is one of the key components in a superconducting (SC) linac. It provides RF power to the SC cavity and interconnects different temperature layers (1.8 K, 4.2 K, 70 K and 300 K). The TTF-III coupler is one of the most promising candidates for the High Energy (HE) linac of Project X, but it cannot meet the average power requirements because of the relatively high temperature rise on the warm inner conductor, so some design modifications will be required. In this paper, we describe our simulation studies on the copper coating thickness on the warm inner conductor with RRR values of 10 and 100. Our purpose is to rebalance the dynamic and static loads, and finally lower the temperature rise along the warm inner conductor. In addition, to get stronger coupling, better power handling and less multipacting probability, one new cold part design was proposed using a 60 mm coaxial line; the corresponding multipacting simulation studies have also been investigated. C1 [Pei Shi-Lun] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Adolphsen, Chris E.; Li Zeng-Hai] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Solyak, Nikolay A.; Gonin, Ivan V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Pei, SL (reprint author), Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. EM peisl@mail.ihep.ac.cn NR 10 TC 0 Z9 1 U1 0 U2 1 PU CHINESE PHYSICAL SOC PI BEIJING PA P O BOX 603, BEIJING 100080, PEOPLES R CHINA SN 1674-1137 J9 CHINESE PHYS C JI Chin. Phys. C PD FEB PY 2012 VL 36 IS 2 BP 173 EP 178 DI 10.1088/1674-1137/36/2/013 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 893VO UT WOS:000300386000013 ER PT J AU Nistico, P Bissell, MJ Radisky, DC AF Nistico, Paola Bissell, Mina J. Radisky, Derek C. TI Epithelial-Mesenchymal Transition: General Principles and Pathological Relevance with Special Emphasis on the Role of Matrix Metalloproteinases SO COLD SPRING HARBOR PERSPECTIVES IN BIOLOGY LA English DT Article ID CANCER STEM-CELLS; MAMMARY BRANCHING MORPHOGENESIS; SARCOMA VIRUS TUMORIGENESIS; BENIGN BREAST DISEASE; TGF-BETA; E-CADHERIN; SPLICE VARIANT; PULMONARY-FIBROSIS; BASEMENT-MEMBRANE; CARCINOMA CELLS AB Epithelial-mesenchymal transition (EMT) is a physiological process in which epithelial cells acquire the motile and invasive characteristics of mesenchymal cells. Although EMT in embryonic development is a coordinated, organized process involving interaction between many different cells and tissue types, aspects of the EMT program can be inappropriately activated in response to microenvironmental alterations and aberrant stimuli, and this can contribute to disease conditions including tissue fibrosis and cancer progression. Here we will outline how EMT functions in normal development, how it could be activated in pathologic conditions-especially by matrix metalloproteinases-and how it may be targeted for therapeutic benefit. C1 [Radisky, Derek C.] Mayo Clin, Ctr Canc, Jacksonville, FL 32224 USA. [Nistico, Paola] Regina Elena Inst Canc Res, Immunol Lab, I-00144 Rome, Italy. [Bissell, Mina J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Radisky, DC (reprint author), Mayo Clin, Ctr Canc, Jacksonville, FL 32224 USA. EM radisky.derek@mayo.edu OI Nistico', Paola/0000-0003-4409-2261 NR 110 TC 41 Z9 41 U1 1 U2 12 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 1943-0264 J9 CSH PERSPECT BIOL JI Cold Spring Harbor Perspect. Biol. PD FEB PY 2012 VL 4 IS 2 AR a011908 DI 10.1101/cshperspect.a011908 PG 10 WC Cell Biology SC Cell Biology GA 894CM UT WOS:000300404600008 ER PT J AU Bryan, AL Hopkins, WA Parikh, JH Jackson, BP Unrine, JM AF Bryan, A. L., Jr. Hopkins, W. A. Parikh, J. H. Jackson, B. P. Unrine, J. M. TI Coal fly ash basins as an attractive nuisance to birds: Parental provisioning exposes nestlings to harmful trace elements SO ENVIRONMENTAL POLLUTION LA English DT Article DE Coal fly ash basin; Common Grackle; Contaminants; Quiscalus quiscala; Selenium ID MATERNAL TRANSFER; CONTAMINATED SEDIMENTS; REPRODUCTIVE SUCCESS; MERCURY EXPOSURE; SELENIUM; GROWTH; ACCUMULATION; DEPOSITION; RESPONSES; TOXICITY AB Birds attracted to nest around coal ash settling basins may expose their young to contaminants by provisioning them with contaminated food. Diet and tissues of Common Grackle (Quiscalus quiscala) nestlings were analyzed for trace elements to determine if nestlings were accumulating elements via dietary exposure and if feather growth limits elemental accumulation in other tissues. Arsenic, cadmium, and selenium concentrations in ash basin diets were 5x higher than reference diets. Arsenic, cadmium, and selenium concentrations were elevated in feather, liver, and carcass, but only liver Se concentrations approached levels of concern. Approximately 15% of the total body burden of Se, As, and Cd was sequestered in feathers of older (>5 days) nestlings, whereas only 1% of the total body burden of Sr was sequestered in feathers. Feather concentrations of only three elements (As, Se, and Sr) were correlated with liver concentrations, indicating their value as non-lethal indicators of exposure. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Bryan, A. L., Jr.; Hopkins, W. A.; Parikh, J. H.; Jackson, B. P.; Unrine, J. M.] Savannah River Ecol Lab, Aiken, SC 29803 USA. RP Bryan, AL (reprint author), Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29803 USA. EM lbryan@srel.edu RI Schneider, Larissa/C-9863-2012; OI Unrine, Jason/0000-0003-3012-5261 FU DOE [DE-FC09-07SR22506] FX Carol Eldridge, David Kling, and Brian Staub of SREL assisted with field collections and laboratory prep work. W.J. Manning and an anonymous reviewer provided comments improving earlier drafts of this manuscript. This research was supported by DOE Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. NR 40 TC 21 Z9 21 U1 1 U2 18 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0269-7491 J9 ENVIRON POLLUT JI Environ. Pollut. PD FEB PY 2012 VL 161 BP 170 EP 177 DI 10.1016/j.envpol.2011.10.021 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA 896BB UT WOS:000300539300023 PM 22230082 ER PT J AU Biswas, M Wocjan, T Langowski, J Smith, JC AF Biswas, M. Wocjan, T. Langowski, J. Smith, J. C. TI DNA bending potentials for loop-mediated nucleosome repositioning SO EPL LA English DT Article ID REMODELING FACTOR; FORCE MICROSCOPY; STRETCHING DNA; POLYMER-CHAIN; CHROMATIN; ISWI; FLEXIBILITY; MECHANISM; MOLECULE; LENGTH AB Nucleosome repositioning is a fundamental process in gene function. DNA elasticity is a key element of loop-mediated nucleosome repositioning. Two analytical models for DNA elasticity have been proposed: the linear sub-elastic chain (SEC), which allows DNA kinking, and the worm-like chain (WLC), with a harmonic bending potential. In vitro studies have shown that nucleosomes reposition in a discontiguous manner on a segment of DNA and this has also been found in ground-state calculations with the WLC analytical model. Here we study using Monte Carlo simulation the dynamics of DNA loop-mediated nucleosome repositioning at physiological temperatures using the SEC and WLC potentials. At thermal energies both models predict nearest-neighbor repositioning of nucleosomes on DNA, in contrast to the repositioning in jumps observed in experiments. This suggests a crucial role of DNA sequence in nucleosome repositioning. Copyright (C) EPLA, 2012 C1 [Biswas, M.; Smith, J. C.] Heidelberg Univ, Interdisciplinary Ctr Sci Comp IWR, D-69120 Heidelberg, Germany. [Wocjan, T.; Langowski, J.] German Canc Res Ctr, D-69120 Heidelberg, Germany. [Smith, J. C.] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA. [Smith, J. C.] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. RP Biswas, M (reprint author), Heidelberg Univ, Interdisciplinary Ctr Sci Comp IWR, Neuenheimer Feld 368, D-69120 Heidelberg, Germany. EM smithjc@ornl.gov RI smith, jeremy/B-7287-2012; Langowski, Jorg/A-1843-2011 OI smith, jeremy/0000-0002-2978-3227; Langowski, Jorg/0000-0001-8600-0666 NR 23 TC 3 Z9 3 U1 0 U2 8 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 FEB PY 2012 VL 97 IS 3 AR 38004 DI 10.1209/0295-5075/97/38004 PG 6 WC Physics, Multidisciplinary SC Physics GA 894AU UT WOS:000300400000048 ER PT J AU Procaccia, I Regev, I AF Procaccia, I. Regev, I. TI Coarse-grained theory of a realistic tetrahedral liquid model SO EPL LA English DT Article ID PHASE-TRANSITION; CONFINED WATER; SILICON; BEHAVIOR AB Tetrahedral liquids such as water and silica-melt show unusual thermodynamic behavior such as a density maximum and an increase in specific heat when cooled to low temperatures. Previous work had shown that Monte Carlo and mean-field solutions of a lattice model can exhibit these anomalous properties with or without a phase transition, depending on the values of the different terms in the Hamiltonian. Here we use a somewhat different approach, where we start from a very popular empirical model of tetrahedral liquids -the Stillinger-Weber model- and construct a coarse-grained theory which directly quantifies the local structure of the liquid as a function of volume and temperature. We compare the theory to molecular-dynamics simulations and show that the theory can rationalize the simulation results and the anomalous behavior. Copyright (C) EPLA, 2012 C1 [Procaccia, I.; Regev, I.] Weizmann Inst Sci, Dept Chem Phys, IL-76100 Rehovot, Israel. [Regev, I.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Regev, I.] Los Alamos Natl Lab, CNLS, Los Alamos, NM USA. RP Procaccia, I (reprint author), Weizmann Inst Sci, Dept Chem Phys, IL-76100 Rehovot, Israel. EM ido.regev@gmail.com FU European Research Council; German Israeli Foundation; Israel Science Foundation; US Department of Energy [DE-AC52-06NA25396] FX IR would like to thank T. LOOKMAN, P. LOXELEY and K. BARROS for useful discussions. This work has been supported in part by an "ideas" advanced grant from the European Research Council, by the German Israeli Foundation and the Israel Science Foundation. IR's work in Los Alamos National Laboratory was supported by the US Department of Energy through contract DE-AC52-06NA25396. NR 26 TC 2 Z9 2 U1 0 U2 9 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 FEB PY 2012 VL 97 IS 3 AR 36010 DI 10.1209/0295-5075/97/36010 PG 5 WC Physics, Multidisciplinary SC Physics GA 894AU UT WOS:000300400000035 ER PT J AU Santamore, DH Timmermans, E AF Santamore, D. H. Timmermans, E. TI Spin critical opalescence in zero-temperature Bose-Einstein condensates SO EPL LA English DT Article ID SCATTERING LENGTH; ULTRACOLD ATOMS; MIXTURES; RECOMBINATION AB Cold-atom developments suggest the prospect of measuring scaling properties and long-range fluctuations of continuous phase transitions at zero temperature. We discuss the conditions for characterizing the phase separation of Bose-Einstein condensates of boson atoms in two distinct hyperfine spin states. The mean-field description breaks down as the system approaches the transition from the miscible side. An effective spin description clarifies the ferromagnetic nature of the transition. We show that a difference in the scattering lengths for the bosons in the same spin state leads to an effective internal magnetic field. The point at which the internal magnetic field vanishes (i.e., equal values of the like-boson scattering lengths) is a special point. We show that the long-range density fluctuations are suppressed near that point, while the effective spin exhibits the long-range fluctuations that characterize critical points. The zero-temperature system exhibits critical opalescence with respect to long-wavelength waves of impurity atoms that interact with the bosons in a spin-dependent manner. Copyright (C) EPLA, 2012 C1 [Santamore, D. H.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. [Timmermans, E.] Los Alamos Natl Lab, Div Theory, Los Alamos, NM 87545 USA. RP Santamore, DH (reprint author), Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. EM dhs18@temple.edu FU Los Alamos National Laboratory FX ET's work was funded by the LDRD-program of Los Alamos National Laboratory. We thank M. BOSHIER for helpful comments. NR 23 TC 2 Z9 2 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 FEB PY 2012 VL 97 IS 3 AR 36009 DI 10.1209/0295-5075/97/36009 PG 6 WC Physics, Multidisciplinary SC Physics GA 894AU UT WOS:000300400000034 ER PT J AU Shue, CA Kalafut, AJ Gupta, M AF Shue, Craig A. Kalafut, Andrew J. Gupta, Minaxi TI Abnormally Malicious Autonomous Systems and Their Internet Connectivity SO IEEE-ACM TRANSACTIONS ON NETWORKING LA English DT Article DE Autonomous systems (ASs); security AB While many attacks are distributed across botnets, investigators and network operators have recently identified malicious networks through high profile autonomous system (AS) depeerings and network shutdowns. In this paper, we explore whether some ASs indeed are safe havens for malicious activity. We look for ISPs and ASs that exhibit disproportionately high malicious behavior using 10 popular blacklists, plus local spam data, and extensive DNS resolutions based on the contents of the blacklists. We find that some ASs have over 80% of their routable IP address space blacklisted. Yet others account for large fractions of blacklisted IP addresses. Several ASs regularly peer with ASs associated with significant malicious activity. We also find that malicious ASs as a whole differ from benign ones in other properties not obviously related to their malicious activities, such as more frequent connectivity changes with their BGP peers. Overall, we conclude that examining malicious activity at AS granularity can unearth networks with lax security or those that harbor cybercrime. C1 [Shue, Craig A.] Oak Ridge Natl Lab, Cyberspace Sci & Informat Intelligence Res Grp, Oak Ridge, TN 37830 USA. [Kalafut, Andrew J.] Grand Valley State Univ, Sch Comp & Informat Sci, Allendale, MI 49401 USA. [Gupta, Minaxi] Indiana Univ, Sch Informat & Comp, Bloomington, IN 47401 USA. RP Shue, CA (reprint author), Oak Ridge Natl Lab, Cyberspace Sci & Informat Intelligence Res Grp, Oak Ridge, TN 37830 USA. EM cshue@ornl.gov FU United States Government [DE-AC05-000OR22725]; United States Department of Energy; National Science Foundation (NSF) [CNS-0831988] FX This work was supported by a contractor of United States Government under Contract DE-AC05-000OR22725 with the United States Department of Energy and by the National Science Foundation (NSF) under Grant CNS-0831988. NR 27 TC 7 Z9 7 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1063-6692 EI 1558-2566 J9 IEEE ACM T NETWORK JI IEEE-ACM Trans. Netw. PD FEB PY 2012 VL 20 IS 1 BP 220 EP 230 DI 10.1109/TNET.2011.2157699 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA 894KG UT WOS:000300425000017 ER PT J AU Zortman, WA Trotter, DC Lentine, AL Robertson, G Hsia, A Watts, MR AF Zortman, William A. Trotter, Douglas C. Lentine, Anthony L. Robertson, Gideon Hsia, Alex Watts, Michael R. TI Monolithic and Two-Dimensional Integration of Silicon Photonic Microdisks With Microelectronics SO IEEE PHOTONICS JOURNAL LA English DT Article DE CMOS; monolithic integration; 2-D integration; silicon photonic devices ID ELECTROOPTIC MODULATOR; HIGH-SPEED; COMPACT; VOLTAGE; ENERGY AB A low-power silicon photonic disk resonator is monolithically and two-dimensionally integrated with complementary metal-oxide-semiconductor (CMOS) electronics. The results show direct integration with established CMOS manufacturing lines without changing either the CMOS or the photonic process stack. Comparable results for each integration method show subpicojoule per bit modulation and the potential for further reductions. The analysis reveals that the process of integration does not limit the performance of photonic or electronic components, and clear steps to use smaller drivers to achieve sub-50 fJ/bit at 10 Gb/s operation are available. C1 [Zortman, William A.; Trotter, Douglas C.; Lentine, Anthony L.; Robertson, Gideon; Hsia, Alex; Watts, Michael R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Zortman, William A.] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87185 USA. [Watts, Michael R.] MIT, Elect Res Lab, Cambridge, MA 02139 USA. RP Zortman, WA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM wzortm@sandia.gov FU Sandia's Laboratory Directed Research and Development (LDRD); Sandia Corporation, a Lockheed Martin Company [DE-AC04-94AL85000] FX Manuscript received October 25, 2011; revised December 3, 2011; accepted November 26, 2011. Date of publication December 16, 2011; date of current version January 31, 2012. This work was supported by Sandia's Laboratory Directed Research and Development (LDRD) program. 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. Corresponding author: W. A. Zortman (e-mail: wzortm@sandia.gov). NR 22 TC 5 Z9 5 U1 0 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1943-0655 J9 IEEE PHOTONICS J JI IEEE Photonics J. PD FEB PY 2012 VL 4 IS 1 BP 242 EP 249 DI 10.1109/JPHOT.2011.2180372 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 891CQ UT WOS:000300194400003 ER PT J AU Lu, XF Goodrich, LF van der Laan, DC Splett, JD Cheggour, N Holesinger, TG Baca, FJ AF Lu, X. F. Goodrich, L. F. van der Laan, D. C. Splett, J. D. Cheggour, N. Holesinger, T. G. Baca, F. J. TI Correlation Between Pressure Dependence of Critical Temperature and the Reversible Strain Effect on the Critical Current and Pinning Force in Bi2Sr2CaCu2O8+x Wires SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Axial strain; Bi-2212 wire; critical current; flux pinning; irreversibility field ID TRANSPORT CRITICAL CURRENTS; AXIAL STRAIN; SUPERCONDUCTING WIRES; MAGNETIC-FIELD; T-C AB Bi2Sr2CaCu2O8+x round wires are among the most promising high-temperature superconductor candidates for making high-field magnets that operate at fields above 20 T. Owing to the brittle nature of high-temperature superconductors, their electromechanical properties need to be studied and understood prior to magnet design and construction. The irreversible degradation of the critical current at high strains has been previously correlated to damage in the microstructure of the superconductor. The origin of the much smaller reversible strain dependence of the superconducting properties of Bi2Sr2CaCu2O8+x x wires has not yet been studied in detail. In this paper, we determine the cause of the reversible effect of strain on the pinning force and the critical current at temperatures ranging from 4 K to 65 K. Measurements were made as a function of tensile strain in magnetic fields up to 16 T. The irreversibility fields, determined from the macroscopic pinning force at various temperatures and strains, and the critical temperature of the Bi2Sr2CaCu2O8+x wire were found to be strain dependent. The reversible change in critical current and pinning force in Bi2Sr2CaCu2O8+x superconducting wires can be solely attributed to the dependence of the critical temperature on pressure. C1 [Lu, X. F.; Goodrich, L. F.; van der Laan, D. C.; Splett, J. D.; Cheggour, N.] NIST, Boulder, CO 80305 USA. [Lu, X. F.; van der Laan, D. C.; Cheggour, N.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Holesinger, T. G.; Baca, F. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lu, XF (reprint author), NIST, Boulder, CO 80305 USA. EM goodrich@boulder.nist.gov RI Cheggour, Najib/K-2769-2012; van der Laan, Danko/L-5098-2016 OI Cheggour, Najib/0000-0002-0741-3065; FU High Energy Physics of the U.S. Department of Energy; U.S. Government FX Manuscript received September 8, 2011; revised October 28, 2011; accepted October 28, 2011. Date of publication December 16, 2011; date of current version February 3, 2012. This work was supported in part by High Energy Physics of the U.S. Department of Energy through the Very High Field Superconducting Magnet Collaboration. This work was also supported in part by the U.S. Government, not protected by U.S. Copyright. This paper was recommended by Associate Editor J. Schwartz. NR 26 TC 7 Z9 7 U1 1 U2 15 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD FEB PY 2012 VL 22 IS 1 SI SI AR 8400307 DI 10.1109/TASC.2011.2174630 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 894JQ UT WOS:000300423400004 ER PT J AU Krishnan, S Hernon, D Hodes, M Mullins, J Lyons, AM AF Krishnan, Shankar Hernon, Domhnaill Hodes, Marc Mullins, John Lyons, Alan M. TI Design of Complex Structured Monolithic Heat Sinks for Enhanced Air Cooling SO IEEE TRANSACTIONS ON COMPONENTS PACKAGING AND MANUFACTURING TECHNOLOGY LA English DT Article DE Convective heat transfer; electronics cooling; heat sinks ID FORCED-CONVECTION; METAL FOAM; DISSIPATION; EXCHANGERS; MECHANISMS; TRANSPORT; FLOW AB The design and characterization of monolithic heat sinks, which can take the form of complex structures, is reported. The designs were conceived to augment heat transport for enhanced air cooling by exploiting clearly identified physical mechanisms, i.e., by streaming the flow through a 2-D array of polygonal ducts, by introducing flow-obstacle-induced local mixing, and by exploiting hydrodynamic instabilities to sustain flow unsteadiness. Fabrication of these unconventional designs was achieved by 3-D printing plastic patterns and converting them into monolithic copper structures by investment casting. A direct simulation approach aided by analytical solutions and experimental validation was undertaken to quantify fluid flow and heat transfer parameters. This paper concludes by quantifying the performance enhancement of the proposed heat sink geometries relative to a conventional longitudinally finned heat sink. On an equal pumping power basis, finned foam and slotted hexagonal heat sinks outperform conventional parallel plate finned heat sinks. On the other hand, the parallel plate heat sinks are better for pressure drop less than 20 Pa and slotted honeycombs are better for higher pressure drops (>20 Pa). C1 [Krishnan, Shankar; Hernon, Domhnaill; Hodes, Marc; Mullins, John; Lyons, Alan M.] Alcatel Lucent, Bell Labs, Dublin 19711, Ireland. RP Krishnan, S (reprint author), Battelle Pacific NW Natl Lab, MicroProd Breakthrough Inst, Corvallis, OR 97330 USA. EM shankar.krishnan@pnl.gov; hernon@alcatel-lucent.com; marc.hodes@tufts.edu; jmullins29@gmail.com; Alan.Lyons@csi.cuny.edu FU Irish Development Agency FX This work was supported in part by the Irish Development Agency. Recommended for publication by Associate Editor K. Ramakrishna upon evaluation of reviewers' comments. NR 23 TC 6 Z9 6 U1 1 U2 23 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-3950 J9 IEEE T COMP PACK MAN JI IEEE Trans. Compon. Pack. Manuf. Technol. PD FEB PY 2012 VL 2 IS 2 BP 266 EP 277 DI 10.1109/TCPMT.2011.2175448 PG 12 WC Engineering, Manufacturing; Engineering, Electrical & Electronic; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 891DL UT WOS:000300196600011 ER PT J AU Janecek, M Walder, JP McVittie, PJ Zheng, B von der Lippe, H McClish, M Dokhale, P Stapels, CJ Christian, JF Shah, KS Moses, WW AF Janecek, Martin Walder, Jean-Pierre McVittie, Patrick J. Zheng, Bob von der Lippe, Henrik McClish, Mickel Dokhale, Purushottam Stapels, Christopher J. Christian, James F. Shah, Kanai S. Moses, William W. TI A High-Speed Multi-Channel Readout for SSPM Arrays SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Anger logic; ASIC; G-APD; MPPC; MRS-APD; readout time; resistor network; SiPM; SPM; SSPM ID SILICON PHOTOMULTIPLIER; FRONT-END; PET; SCINTILLATOR AB Solid-state photomultiplier (SSPM) arrays are a new technology that shows great promise to be used in PET detector modules. To reduce the number of channels in a PET scanner, it is attractive to use resistor dividers, which multiplex the number of channels in each module down to four analog output channels. It is also attractive to have SSPMs with large pixels (3 x 3 or 4 x 4 mm). However, large area SSPMs have correspondingly large capacitances (up to 1 nF) and directly coupling them to a resistive network will create a low-pass filter with a high RC time constant. In order to overcome this, we have developed an application specific integrated circuit (ASIC) that "hides" the intrinsic capacitance of the SSPM array from a resistive network with current buffers, significantly improving the rise time of the SSPM signals when connected to the resistive network. The ASIC is designed for a wide range of SSPM sizes, up to 1 nF (equivalent to 4 x 4 mm(2)), and for input currents of 1 to 20 mA per channel. To accommodate various sizes of SSPM pixels, the ASIC uses adjustable current sources (to keep the feedback loop stable). A test ASIC has been fabricated that has 16 input channels, an internal resistor divider array that produces four analog outputs, 16 buffers that isolate the SSPM capacitance from the resistor array, and four output buffers that can drive 100 ohm loads. Thus, detector modules based on SSPMs and this ASIC should be compatible with the block detector readout electronics found in many PET cameras. Tests of this ASIC show that its rise time is <2 ns (and it will thus not significantly degrade the similar to 7 ns rise time of the SSPM pixels) and that the analog decoding circuitry functions properly. C1 [Janecek, Martin; Walder, Jean-Pierre; McVittie, Patrick J.; Zheng, Bob; von der Lippe, Henrik; Moses, William W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [McClish, Mickel; Dokhale, Purushottam; Stapels, Christopher J.; Christian, James F.; Shah, Kanai S.] Radiat Monitoring Devices Inc, Waterton, MA 02472 USA. RP Janecek, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM mjanecek@lbl.gov; kshah@rmdinc.com RI Zheng, Bob/M-5055-2015 FU Office of Science, Office of Biological and Environmental Research, Biological Systems Science Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Biological and Environmental Research, Biological Systems Science Division of the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 17 TC 9 Z9 9 U1 0 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD FEB PY 2012 VL 59 IS 1 BP 13 EP 18 DI 10.1109/TNS.2011.2176142 PN 1 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 894JH UT WOS:000300422500002 ER PT J AU Zhang, F Herman, C He, Z De Geronimo, G Vernon, E Fried, J AF Zhang, Feng Herman, Cedric He, Zhong De Geronimo, Gianluigi Vernon, Emerson Fried, Jack TI Characterization of the H3D ASIC Readout System and 6.0 cm(3) 3-D Position Sensitive CdZnTe Detectors SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE CdZnTe; position sensitive; 3-D AB Two 20 mm x 20 mm x 15 mm pixelated CZT detectors made by eV-Products were characterized using the new H3D Application Specific Integrated Circuits (ASIC) readout system developed by the Instrumentation Division at Brookhaven National Laboratory. The ASIC is capable of reading out energy and timing signals from 121 anode pixels and the planar cathode electrode of one CZT detector simultaneously. The system has a measured electronic noise of similar to 2.2 keV FWHM with a dynamic range from 20 keV to 3.0 MeV. The two detectors achieved energy resolution of 0.48% FWHM and 0.60% FWHM, respectively, at 662 keV for single-pixel events from the entire 6.0 cm(3) detection volume at room temperature with an un-collimated Cs-137 source. The average (mu tau)(e) of both detectors were measured to be >10(-2) cm(2)/V. The detection efficiency of the two detectors was evaluated at several different energies up to 1.3 MeV by comparing with simulated data. It was found that the total counts agree well between the measured data and the simulated data over the studied energy range. However, the measured photopeak counts were 10-15% lower than simulated photopeak counts at high gamma-ray energies. The analysis shows that the loss of photopeak efficiency is likely due to the charge loss from peripheral pixels to the boundary of detectors. C1 [Zhang, Feng; Herman, Cedric; He, Zhong] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. [De Geronimo, Gianluigi; Vernon, Emerson; Fried, Jack] Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA. RP Zhang, F (reprint author), Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. EM zhangf@umich.edu FU DTRA of the U.S. Department of Defense [DTRA01-02-D-0067]; DOE NA-22 Office [DE-FG52-06NA27499] FX Manuscript received March 01, 2011; revised July 11, 2011; accepted October 30, 2011. Date of publication January 04, 2012; date of current version February 10, 2012. The development of CZT detectors and ASIC readout systems were funded by DTRA of the U.S. Department of Defense under Grant DTRA01-02-D-0067. Event reconstruction algorithm development effort was supported by DOE NA-22 Office under Grant DE-FG52-06NA27499. NR 9 TC 24 Z9 24 U1 2 U2 16 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD FEB PY 2012 VL 59 IS 1 BP 236 EP 242 DI 10.1109/TNS.2011.2175948 PN 2 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 894JN UT WOS:000300423100014 ER PT J AU Korolev, YD Frants, OB Landl, NV Kasyanov, VS Galanov, SI Sidorova, OI Kim, Y Rosocha, LA Matveev, IB AF Korolev, Yury D. Frants, Oleg B. Landl, Nikolay V. Kasyanov, Vladimir S. Galanov, Sergey I. Sidorova, Olga I. Kim, Yongho Rosocha, Louis A. Matveev, Igor B. TI Propane Oxidation in a Plasma Torch of a Low-Current Nonsteady-State Plasmatron SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Glow-to-spark transition; hydrocarbon partial oxidation; plasma-assisted combustion; plasma torches ID ATMOSPHERIC-PRESSURE; GLOW-DISCHARGE; VOLUME DISCHARGE; INTERELECTRODE INTERVALS; GAS-DISCHARGE; IGNITION; AIR; SYSTEM; DECOMPOSITION; GASIFICATION AB This paper describes the plasma-assisted combustion system intended to generate a torch flame with a high power density per unit area. In the system, a kind of hybrid concept is proposed. A primary unit for combustion sustaining is a low-current nonsteady-state plasmatron with a low level of electric power. The plasmatron activates an air/hydrocarbon mixture and sustains the oxidation processes in the plasma torch. In turn, the heat power of the torch sustains the main burning process in the torch flame. The results of experiments on propane oxidation in the plasma torch of plasmatron in a wide range of equivalence ratio are presented. As applied to the combustion system design, the plasma torch can provide both the complete and the partial propane oxidation with syngas generation. C1 [Korolev, Yury D.; Frants, Oleg B.; Landl, Nikolay V.; Kasyanov, Vladimir S.; Galanov, Sergey I.] Russian Acad Sci, Inst High Current Elect, Tomsk 634055, Russia. [Korolev, Yury D.; Galanov, Sergey I.; Sidorova, Olga I.] Tomsk State Univ, Tomsk 634050, Russia. [Korolev, Yury D.] Tomsk Polytech Univ, Tomsk 634050, Russia. [Kim, Yongho; Rosocha, Louis A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Matveev, Igor B.] Appl Plasma Technol, Mclean, VA 22101 USA. RP Korolev, YD (reprint author), Russian Acad Sci, Inst High Current Elect, Tomsk 634055, Russia. EM korolev@lnp.hcei.tsc.ru; frants@lnp.hcei.tsc.ru; landl@lnp.hcei.tsc.ru; kasyanov@lnp.hcei.tsc.ru; galanov@xf.tsu.ru; sidorova@xf.tsu.ru; yhkim@lanl.gov; plasmamon@msn.com; i.matveev@att.net RI Landl, Nikolay/G-9308-2012; Korolev, Yury/J-6212-2014; Sidorova, Olga/F-2239-2014; Galanov, Sergei/F-2238-2014 OI Korolev, Yury/0000-0002-6438-1178; FU International Scientific Technology Center [3959p]; Siberian Division RAS [IM-80] FX This work was supported in part by the International Scientific Technology Center under Project 3959p and in part by the Interdisciplinary Integrating Project of Siberian Division RAS under Project IM-80. NR 42 TC 23 Z9 25 U1 1 U2 15 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD FEB PY 2012 VL 40 IS 2 BP 535 EP 542 DI 10.1109/TPS.2011.2176557 PN 2 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 894MC UT WOS:000300429800017 ER PT J AU Jensen, C Xing, C Folsom, C Ban, H Phillips, J AF Jensen, C. Xing, C. Folsom, C. Ban, H. Phillips, J. TI Design and Validation of a High-Temperature Comparative Thermal-Conductivity Measurement System SO INTERNATIONAL JOURNAL OF THERMOPHYSICS LA English DT Article DE Comparative method; High-temperature measurement; Nuclear fuel compact; Thermal-conductivity measurement; Uncertainty analysis ID METAL HYDRIDE COMPACTS; STAINLESS-STEEL; APPARATUS; STANDARDS; SILICON AB A measurement system has been designed and built for the specific application of measuring the effective thermal conductivity of a composite, nuclear-fuel compact (small cylinder) over a temperature range of 100 A degrees C to 800 A degrees C. Because of the composite nature of the sample as well as the need to measure samples pre- and post-irradiation, measurement must be performed on the whole compact non-destructively. No existing measurement system is capable of obtaining its thermal conductivity in a non-destructive manner. The designed apparatus is an adaptation of the guarded-comparative-longitudinal heat flow technique. The system uniquely demonstrates the use of a radiative heat sink to provide cooling which greatly simplifies the design and setup of such high-temperature systems. The design was aimed to measure thermal-conductivity values covering the expected range of effective thermal conductivity of the composite nuclear fuel from 10 W . m(-1) . K-1 to 70 W . m(-1) . K-1. Several materials having thermal conductivities covering this expected range have been measured for system validation, and results are presented. A comparison of the results has been made to data from existing literature. Additionally, an uncertainty analysis is presented finding an overall uncertainty in sample thermal conductivity to be 6 %, matching well with the results of the validation samples. C1 [Jensen, C.; Xing, C.; Folsom, C.; Ban, H.] Utah State Univ, Dept Mech & Aerosp Engn, Logan, UT 84322 USA. [Phillips, J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Jensen, C (reprint author), Utah State Univ, Dept Mech & Aerosp Engn, Logan, UT 84322 USA. EM colby.jensen@aggiemail.usu.edu RI Ban, Heng/I-6268-2012; OI Jensen, Colby/0000-0001-8925-7758 FU US Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office [DE-AC07-05ID14517]; DOE Office of Nuclear Energy FX This study was supported by the US Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office Contract DE-AC07-05ID14517. Work by C. Jensen is being performed using funding received from the DOE Office of Nuclear Energy's Nuclear Energy University Programs. NR 49 TC 14 Z9 15 U1 2 U2 21 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 FEB PY 2012 VL 33 IS 2 BP 311 EP 329 DI 10.1007/s10765-012-1161-9 PG 19 WC Thermodynamics; Chemistry, Physical; Mechanics; Physics, Applied SC Thermodynamics; Chemistry; Mechanics; Physics GA 891ZA UT WOS:000300254400008 ER PT J AU Rodgers, JM Smit, B AF Rodgers, Jocelyn M. Smit, Berend TI On the Equivalence of Schemes for Simulating Bilayers at Constant Surface Tension SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID ISOTHERMAL-ISOBARIC ENSEMBLE; SMALL SYSTEMS; MOLECULAR-DYNAMICS; MODEL MEMBRANES; SHELL MOLECULE; REQUIREMENT AB Lipid bilayers are simulated using flexible simulation cells in order to allow for relaxations in area per lipid as bilayer content and temperature are varied. We develop a suite of Monte Carlo (MC) moves designed to generate constant surface tension gamma and constant pressure P and find that the NPT partition function proposed by Attard [J. Chem. Phys. 1995, 103, 9884-9885] leads to an NP gamma T partition function with a form invariant to choice of independent shape variables. We then compare this suite of MC moves to NP gamma T MC moves previously employed in our group as well as a pair of MC moves designed to replicate the NP parallel to P perpendicular to T "ensemble" often used in molecular dynamics simulations to yield zero surface tension and constant pressure. A detailed analysis of shape fluctuations in a small bilayer system reveals that the two latter MC move sets are different from one another as well as from our new suite of MC moves, as justified by careful analysis of the partition functions. However, the study of a larger bilayer system reveals that, for practical purposes for this system, all six MC move sets are comparable to one another. C1 [Rodgers, Jocelyn M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Rodgers, JM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM jrodgers78@gmail.com; berend-smit@berkeley.edu RI Smit, Berend/B-7580-2009 OI Smit, Berend/0000-0003-4653-8562 FU Chemical Sciences, Geo-sciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy, FWP [SISGRKN] FX This work was supported by the Chemical Sciences, Geo-sciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy, FWP number SISGRKN. NR 30 TC 1 Z9 1 U1 1 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 FEB PY 2012 VL 8 IS 2 BP 404 EP 417 DI 10.1021/ct2007204 PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 890JT UT WOS:000300141600005 PM 26596592 ER PT J AU Brabec, J Pittner, J van Dam, HJJ Apra, E Kowalski, K AF Brabec, Jiri Pittner, Jiri van Dam, Hubertus J. J. Apra, Edoardo Kowalski, Karol TI Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID BLAST FORUM STANDARD; HILBERT-SPACE; STATE-UNIVERSAL; BRILLOUIN-WIGNER; EFFECTIVE-HAMILTONIANS; PERTURBATION-THEORY; CONFIGURATION-INTERACTION; CONVERGENCE ACCELERATION; MODEL SYSTEMS; LIH MOLECULE AB A novel algorithm for implementing a general type of multireference coupled-cluster (MRCC) theory based on the Jeziorski-Monkhorst exponential ansatz [Jeziorski, B.; Monkhorst, H. J. Phys. Rev. A 1981, 24, 1668] is introduced. The proposed algorithm utilizes processor groups to calculate the equations for the MRCC amplitudes. In the basic formulation, each processor group constructs the equations related to a specific subset of references. By flexible choice of processor groups and subset of reference-specific sufficiency conditions designated to a given group, one can ensure optimum utilization of available computing resources. The performance of this algorithm is illustrated on the examples of the Brillouin-Wigner and Mukherjee MRCC methods with singles and doubles (BW-MRCCSD and Mk-MRCCSD). A significant improvement in scalability and in reduction of time to solution is reported with respect to recently reported parallel implementation of the BW-MRCCSD formalism [Brabec, J.; van Dam, H. J. J.; Kowalski, K.; Pittner, J. Chem. Phys. Lett. 2011, 514, 347]. C1 [van Dam, Hubertus J. J.; Apra, Edoardo; Kowalski, Karol] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Brabec, Jiri; Pittner, Jiri] Acad Sci Czech Republic, J Heyrovsky Inst Phys Chem, CZ-18223 Prague 8, Czech Republic. RP Kowalski, K (reprint author), Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, K8-91,POB 999, Richland, WA 99352 USA. EM karol.kowalski@pnnl.gov RI Apra, Edoardo/F-2135-2010; Brabec, Jiri/G-5479-2014; OI Apra, Edoardo/0000-0001-5955-0734; Brabec, Jiri/0000-0002-7764-9890; van Dam, Hubertus Johannes Jacobus/0000-0002-0876-3294 FU Extreme Scale Computing Initiative, Pacific Northwest National Laboratory; Department of Energy's Office of Biological and Environmental Research; Battelle Memorial Institute [DE-AC06.76RLO-1830]; Grant Agency of the Czech Republic (GACR) [208/11/2222]; Grant Agency of Charles University (GAUK) [43.252494]; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725] FX This work has been supported by the Extreme Scale Computing Initiative (J.B., H.J.J.v.D., K.K.), a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory. A large portion of the calculations have been performed 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. The Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by the Battelle Memorial Institute under Contract DE-AC06.76RLO-1830. This work has also been supported by the Grant Agency of the Czech Republic (GACR Project No. 208/11/2222) and the Grant Agency of Charles University (GAUK 43.252494). The largest scalability tests of the BW-MRCCSD implementation in NWChem have been performed on the Jaguar Cray-XT5 computer system of the National Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 61 TC 16 Z9 16 U1 1 U2 21 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 FEB PY 2012 VL 8 IS 2 BP 487 EP 497 DI 10.1021/ct200809m PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 890JT UT WOS:000300141600012 PM 26596599 ER PT J AU Matthews, JF Beckham, GT Bergenstrahle-Wohlert, M Brady, JW Himmel, ME Crowley, MF AF Matthews, James F. Beckham, Gregg T. Bergenstrahle-Wohlert, Malin Brady, John W. Himmel, Michael E. Crowley, Michael F. TI Comparison of Cellulose I beta Simulations with Three Carbohydrate Force Fields SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID SYNCHROTRON X-RAY; MOLECULAR-DYNAMICS SIMULATIONS; NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; C-13 NMR-SPECTROSCOPY; FUNCTIONAL THEORY DFT; IIII CRYSTAL MODELS; BIOMASS RECALCITRANCE; NATIVE CELLULOSE; ELEVATED-TEMPERATURES AB Molecular dynamics simulations of cellulose have recently become more prevalent due to increased interest in renewable energy applications, and many atomistic and coarse-grained force fields exist that can be applied to cellulose. However, to date no systematic comparison between carbohydrate force fields has been conducted for this important system. To that end, we present a molecular dynamics simulation study of hydrated, 36-chain cellulose I beta microfibrils at room temperature with three carbohydrate force fields (CHARMM35, GLYCAM06, and Gromos 45a4) up to the near-microsecond time scale. Our results indicate that each of these simulated microfibrils diverge from the cellulose 1 beta crystal structure to varying degrees under the conditions tested. The CHARMM35 and GLYCAM06 force fields eventually result in structures similar to those observed at 500 K with the same force fields, which are consistent with the experimentally observed high-temperature behavior of cellulose I. The third force field, Gromos 45a4, produces behavior significantly different from experiment, from the other two force fields, and from previously reported simulations with this force field using shorter simulation times and constrained periodic boundary conditions. For the GLYCAM06 force field, initial hydrogen-bond conformations and choice of electrostatic scaling factors significantly affect the rate of structural divergence. Our results suggest dramatically different time scales for convergence of properties of interest, which is important in the design of computational studies and comparisons to experimental data. This study highlights that further experimental and theoretical work is required to understand the structure of small diameter cellulose microfibrils typical of plant cellulose. C1 [Matthews, James F.; Himmel, Michael E.; Crowley, Michael F.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO USA. [Beckham, Gregg T.] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. [Bergenstrahle-Wohlert, Malin; Brady, John W.] Cornell Univ, Dept Food Sci, Ithaca, NY 14853 USA. [Bergenstrahle-Wohlert, Malin] Royal Inst Technol, Wallenberg Wood Sci Ctr, Stockholm, Sweden. RP Matthews, JF (reprint author), Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. EM james.matthews@nrel.gov; michael.crowley@nrel.gov RI crowley, michael/A-4852-2013 OI crowley, michael/0000-0001-5163-9398 FU Office of Science's Office of Biological and Environmental Research, U.S. Department of Energy [DE-AC36-08GO28308]; Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0000997]; Ruvo Memorial Foundation of SCA AB; Sweden-America Foundation FX This research was supported by an award (DE-AC36-08GO28308) from the Office of Science's Office of Biological and Environmental Research, U.S. Department of Energy. J.F.M., M.E.H., and M.F.C. also were partially supported by the Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under award no. DE-SC0000997. M.B.-W. thanks Alf de Ruvo Memorial Foundation of SCA AB and Sweden-America Foundation for financial support. Computer time was provided by the TACC Ranger cluster under the National Science Foundation Teragrid grant no. MCB-090159. Some figures were made with VMD.135 We thank Chris Pelkie for visualization expertise, Miriam Estin for editorial assistance, and Robert Woods and his group for helpful comments. NR 128 TC 60 Z9 60 U1 4 U2 80 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 FEB PY 2012 VL 8 IS 2 BP 735 EP 748 DI 10.1021/ct2007692 PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 890JT UT WOS:000300141600035 PM 26596620 ER PT J AU Carroll, KC Oostrom, M Truex, MJ Rohay, VJ Brusseau, ML AF Carroll, Kenneth C. Oostrom, Mart Truex, Michael J. Rohay, Virginia J. Brusseau, Mark L. TI Assessing performance and closure for soil vapor extraction: Integrating vapor discharge and impact to groundwater quality SO JOURNAL OF CONTAMINANT HYDROLOGY LA English DT Article DE Soil vapor extraction; SVE; Concentration rebound; Mass flux; Remediation; NAPL; VOC; Vadose zone ID SOURCE STRENGTH FUNCTIONS; PARTIAL MASS DEPLETION; LAYERED POROUS-MEDIUM; DNAPL SOURCE ZONES; CARBON-TETRACHLORIDE; IMMISCIBLE LIQUID; CAPILLARY-FRINGE; FLUX-REDUCTION; VADOSE ZONE; REMOVAL AB Soil vapor extraction (SVE) is typically effective for removal of volatile contaminants from higher-permeability portions of the vadose zone. However, contamination in lower-permeability zones can persist due to mass transfer processes that limit the removal effectiveness. After SW has been operated for a period of time and the remaining contamination is primarily located in lower-permeability zones, the remedy performance needs to be evaluated to determine whether the SVE system should be optimized, terminated, or transitioned to another technology to replace or augment SW. Numerical modeling of vapor-phase contaminant transport was used to investigate the correlation between measured vapor-phase mass discharge. MFr, from a persistent, vadose-zone contaminant source and the resulting groundwater contaminant concentrations. This relationship was shown to be linear, and was used to directly assess SW remediation progress over time and to determine the level of remediation in the vadose zone necessary to protect groundwater. Although site properties and source characteristics must be specified to establish a unique relation between MFr, and the groundwater contaminant concentration, this correlation provides insight into SW performance and support for decisions to optimize or terminate the SVE operation or to transition to another type of treatment. (C) 2011 Elsevier B.V. All rights reserved. C1 [Carroll, Kenneth C.; Oostrom, Mart; Truex, Michael J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Rohay, Virginia J.] CH2M Hill Plateau Remediat Co, Richland, WA USA. [Brusseau, Mark L.] Univ Arizona, Dept Soil Water & Environm Sci, Tucson, AZ USA. [Brusseau, Mark L.] Univ Arizona, Dept Hydrol & Water Resources, Tucson, AZ 85721 USA. RP Carroll, KC (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Kenneth.Carroll@pnnl.gov RI Carroll, Kenneth/H-5160-2011 OI Carroll, Kenneth/0000-0003-2097-9589 FU Department of Energy (DOE) [DE-AC05-76RL01830]; U.S. Department of Energy - Office of Environmental Management; EM-32 Office of Groundwater and Soil Remediation; U.S. Department of Defense [ER-201125] FX The Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the Department of Energy (DOE) under Contract DE-AC05-76RL01830. The authors would like to thank the U.S. Department of Energy - Office of Environmental Management, EM-32 Office of Groundwater and Soil Remediation, and the U.S. Department of Defense Environmental Security Technology Certification Program (ER-201125), for their support of this research. NR 45 TC 17 Z9 18 U1 3 U2 31 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-7722 J9 J CONTAM HYDROL JI J. Contam. Hydrol. PD FEB 1 PY 2012 VL 128 IS 1-4 BP 71 EP 82 DI 10.1016/j.jconhyd.2011.10.003 PG 12 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA 895AW UT WOS:000300469600006 PM 22192346 ER PT J AU Vigo-Aguiar, J Hamilton, I Gray, SK AF Vigo-Aguiar, Jesus Hamilton, Ian Gray, Stephen K. TI Computer science and mathematics for chemistry-related applications SO JOURNAL OF MATHEMATICAL CHEMISTRY LA English DT Editorial Material C1 [Vigo-Aguiar, Jesus] Univ Salamanca, Fac Ciencias, E-37008 Salamanca, Spain. [Hamilton, Ian] Wilfrid Laurier Univ, Dept Chem, Waterloo, ON N2L 3C5, Canada. [Gray, Stephen K.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Vigo-Aguiar, J (reprint author), Univ Salamanca, Fac Ciencias, E-37008 Salamanca, Spain. EM jvigo@usal.es; ihamilton@wlu.ca; gray@tcg.anl.gov RI Vigo-Aguiar, Jesus/A-6215-2012 OI Vigo-Aguiar, Jesus/0000-0002-1921-6579 NR 7 TC 3 Z9 3 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0259-9791 J9 J MATH CHEM JI J. Math. Chem. PD FEB PY 2012 VL 50 IS 2 SI SI BP 379 EP 380 DI 10.1007/s10910-011-9964-7 PG 2 WC Chemistry, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Chemistry; Mathematics GA 892WQ UT WOS:000300316700008 ER PT J AU Croft, M Jisrawi, N Ignatov, A Holtz, RL Zhong, Z AF Croft, Mark Jisrawi, Najeh Ignatov, Alexander Holtz, Ronald L. Zhong, Zhong TI Fatigue crack growth "overload effect": mechanistic insights from in-situ synchrotron measurements SO JOURNAL OF STRAIN ANALYSIS FOR ENGINEERING DESIGN LA English DT Article DE Fatigue; strain; X-ray; synchrotron; overload ID X-RAY-DIFFRACTION; FULL-PROFILE ANALYSIS; DELTA-K; STRAIN; FIELDS AB Synchrotron-based, high-energy X-ray diffraction measurements are used to study the local strain fields underlying the transient fatigue crack growth rate retardation produced by a single overload cycle known as the overload effect. Specifically, 4140 steel compact tension specimens fatigued for varying levels of crack growth after an overload cycle have been studied with in-situ diffraction under varying external loads. The load responses of the strain at the overload-position, versus at the crack tip, are focused upon in detail. The large compressive residual strain at the overload-point is observed to remain essentially unchanged even after the overload-point is left in the wake of the propagating crack tip. The differential strain-load response at the crack-tip/overload position before and immediately after the overload is seen to be unchanged. Once the overload point is behind the crack tip, a highly nonlinear behavior is observed in which the load response of the strain field transfers from the overload -point to the crack tip when the load exceeds a critical value. The results are discussed in terms of plasticity-induced crack face contact at the overload point as an important local mechanism contributing to the "overload effect" in this specific system. C1 [Croft, Mark; Jisrawi, Najeh; Ignatov, Alexander] Rutgers State Univ, Dept Phys, Piscataway, NJ 08854 USA. [Croft, Mark; Zhong, Zhong] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Jisrawi, Najeh] Univ Sharjah, Dept Appl Phys, Sharjah, U Arab Emirates. [Holtz, Ronald L.] USN, Res Lab, Washington, DC 20375 USA. RP Croft, M (reprint author), Rutgers State Univ, Dept Phys, Piscataway, NJ 08854 USA. EM croft@physics.rutgers.edu FU Office of Naval Research (ONR) [N00014-04-1-0194]; DURIP ONR [N00014-02-1-0772]; US Department of Energy [DE-AC02-76CH00016] FX This work was supported by Office of Naval Research (ONR) under contract no. N00014-04-1-0194 and DURIP ONR N00014-02-1-0772. Utilization of the NSLS was supported by US Department of Energy contract DE-AC02-76CH00016. NR 32 TC 3 Z9 3 U1 0 U2 13 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 0309-3247 J9 J STRAIN ANAL ENG JI J. Strain Anal. Eng. Des. PD FEB PY 2012 VL 47 IS 2 BP 83 EP 94 DI 10.1177/0309324711435197 PG 12 WC Engineering, Mechanical; Mechanics; Materials Science, Characterization & Testing SC Engineering; Mechanics; Materials Science GA 891MW UT WOS:000300222300003 ER PT J AU Soyer-Uzun, S Chae, SR Benmore, CJ Wenk, HR Monteiro, PJM AF Soyer-Uzun, Sezen Chae, Sejung Rosie Benmore, Chris J. Wenk, Hans-Rudolf Monteiro, Paulo J. M. TI Compositional Evolution of Calcium Silicate Hydrate (C-S-H) Structures by Total X-Ray Scattering SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID TRICALCIUM SILICATE; NEUTRON-DIFFRACTION; CRYSTAL-STRUCTURE; PORTLAND-CEMENT; OD CHARACTER; SI-29; MODEL; SPECTROSCOPY; PASTE; O-17 AB High-energy X-ray diffraction was employed to study the structural characteristics of a set of C-S-H samples with 0.6 <= C/S <= 1.75. It has been observed that Si is tetrahedrally coordinated to O for all samples irrespective of chemical composition and the Ca-O coordination number gradually decreases from similar to 7 to similar to 6 with increasing C/S ratio. This suggests that the C-S-H structure evolves from a tobermorite-like structure into a jennite-like structure as a function of increasing C/S ratio as the interlayer space decreases from similar to 1.3 to similar to 1 nm. Evolution of these short-and medium-range order structural characteristics in the C-S-H system is associated with the alteration of the Ca-O layers and silicate depolymerization with increasing C/S. C1 [Soyer-Uzun, Sezen; Chae, Sejung Rosie; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Benmore, Chris J.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Wenk, Hans-Rudolf] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Monteiro, PJM (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM monteiro@ce.berkeley.edu OI Benmore, Chris/0000-0001-7007-7749 FU King Abdullah University of Science and Technology (KAUST) [KUS-11-004021]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This publication was based on the work supported in part by Award No. KUS-11-004021, made by King Abdullah University of Science and Technology (KAUST). The work at Argonne National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 42 TC 24 Z9 25 U1 2 U2 19 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD FEB PY 2012 VL 95 IS 2 BP 793 EP 798 DI 10.1111/j.1551-2916.2011.04989.x PG 6 WC Materials Science, Ceramics SC Materials Science GA 884UA UT WOS:000299733100056 ER PT J AU Gonzalez, GB Mason, TO Okasinski, JS Buslaps, T Honkimaki, V AF Gonzalez, G. B. Mason, T. O. Okasinski, J. S. Buslaps, T. Honkimaeki, V. TI Determination of the Solubility of Tin in Indium Oxide Using In Situ and Ex Situ X-Ray Diffraction SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID IN2O3-SNO2 SYSTEM; INTERMEDIATE COMPOUND; SNO2 AB A novel approach to determine the thermodynamic solubility of tin in indium oxide via the exsolution from tin overdoped nano-ITO powders is presented. High-energy, in situ and ex situ synchrotron X-ray diffraction was utilized to study the solubility limit at temperatures ranging from 900 degrees C to 1375 degrees C. The tin exsolution from overdoped nanopowders and the formation of In4Sn3O12 were observed in situ during the first 4-48 h of high-temperature treatment. Samples annealed between 900 degrees C and 1175 degrees C were also studied ex situ with heat treatments for up to 2060 h. Structural results obtained from Rietveld analysis include compositional phase analysis, atomic positions, and lattice parameters. The tin solubility in In2O3 was determined using the phase analysis compositions from X-ray diffraction and the elemental compositions obtained from X-ray fluorescence. Experimental complications that can lead to incorrect tin solubility values in the literature are discussed. C1 [Gonzalez, G. B.] DePaul Univ, Dept Phys, Chicago, IL 60614 USA. [Mason, T. O.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Okasinski, J. S.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Buslaps, T.; Honkimaeki, V.] European Synchrotron Radiat Facil, Expt Div, F-38043 Grenoble, France. RP Gonzalez, GB (reprint author), DePaul Univ, Dept Phys, Chicago, IL 60614 USA. EM ggonza18@depaul.edu RI Mason, Thomas/B-7528-2009 FU NSF MRSEC at Northwestern University [DMR-0520513] FX TOM and GBG acknowledge support from the NSF MRSEC program at Northwestern University under grant no. DMR-0520513. NR 16 TC 9 Z9 9 U1 4 U2 22 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD FEB PY 2012 VL 95 IS 2 BP 809 EP 815 DI 10.1111/j.1551-2916.2011.04999.x PG 7 WC Materials Science, Ceramics SC Materials Science GA 884UA UT WOS:000299733100059 ER PT J AU Kapetanakis, MD Wang, JG Perakis, IE AF Kapetanakis, Myron D. Wang, Jigang Perakis, Ilias E. TI Femtosecond all-optical modulation of collective spin in the (Ga,Mn)As ferromagnet SO JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS LA English DT Article ID MAGNETIZATION DYNAMICS; ULTRAFAST; SEMICONDUCTORS; ANISOTROPY AB Using a many-body theory, we discuss some fundamental issues of femtomagnetism in magnetic electronic systems. We address the question of how spin may couple to transient optical coherence during time scales shorter than the photoexcitation duration and the characteristic times of interaction with the lattice. We also discuss the role of the competition between magnetic exchange and spin-orbit interactions in the nonthermal temporal evolution regime. Using density matrix equations of motion, we predict a femtosecond collective spin tilt leading to nonthermal magnetization modulation and all-optical ultrafast switching between different metastable magnetic states of (Ga,Mn)As ferromagnets. This spin dynamics is triggered by carrier coherences and by nonthermal populations photoexcited along the {111} equivalent directions of the Brillouin zone, which can be controlled by tuning the laser frequency/intensity and by using a small magnetic field. We present femtosecond magneto-optical spectroscopy experimental results that agree with our predictions. Our results indicate the possibility of reading the (Ga,Mn)As magnetic memory at THz speeds limited only by the pulse duration. (C) 2012 Optical Society of America C1 [Kapetanakis, Myron D.; Perakis, Ilias E.] Univ Crete, Dept Phys, Iraklion 71110, Crete, Greece. [Kapetanakis, Myron D.; Perakis, Ilias E.] Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece. [Wang, Jigang] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Wang, Jigang] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. RP Perakis, IE (reprint author), Univ Crete, Dept Phys, Iraklion 71110, Crete, Greece. EM ilias@physics.uoc.gr RI Perakis, Ilias/G-9186-2011; OI KAPETANAKIS, MYRON/0000-0003-1503-9787 FU EU ITN; U.S. National Science Foundation [DMR-1055352]; U.S. Department of Energy-Basic Energy Sciences [DE-AC02-7CH11358] FX We thank Carlo Piermarocchi for his contribution to this work. This work was supported by the EU ITN program ICARUS, the U.S. National Science Foundation grant DMR-1055352, and the U.S. Department of Energy-Basic Energy Sciences under contract DE-AC02-7CH11358. NR 36 TC 8 Z9 8 U1 1 U2 10 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0740-3224 EI 1520-8540 J9 J OPT SOC AM B JI J. Opt. Soc. Am. B-Opt. Phys. PD FEB PY 2012 VL 29 IS 2 BP A95 EP A102 PG 8 WC Optics SC Optics GA 894DN UT WOS:000300407300014 ER PT J AU Iqbal, MJ Ahmad, Z Meydan, T Nlebedim, IC AF Iqbal, Muhammad Javed Ahmad, Zahoor Meydan, Turgut Nlebedim, Ikenna Cajetan TI Influence of Ni-Cr substitution on the magnetic and electric properties of magnesium ferrite nanomaterials SO MATERIALS RESEARCH BULLETIN LA English DT Article DE Nanostructures; Chemical synthesis; Mossbauer spectroscopy; Electrical properties ID DIELECTRIC-PROPERTIES; COBALT FERRITE; SPINEL; MNFE2O4; NANOPARTICLES; CONDUCTIVITY; ANISOTROPY; MN AB The effect of variation of composition on the structural, morphological, magnetic and electric properties of Mg1-xNixCrxFe2-xO4 (x = 0.0-0.5) nanocrystallites is presented. The samples were prepared by novel polyethylene glycol (PEG) assisted microemulsion method with average crystallite size of 15-47 nm. The microstructure, chemical, and phase analyses of the samples were studied by the scanning electron microscopy (SEM), atomic force microscopy (AFM), energy dispersive X-ray fluorescence (ED-XRF), and X-ray diffraction (XRD). Compositional variation greatly affected the magnetic and structural properties. The high-field regimes of the magnetic loops are modelled using the Law of Approach (LOA) to saturation in order to extract information about their anisotropy and the saturation magnetization. Thermal demagnetization measurements are carried out using VSM and significant enhancement of the Curie temperature from 681 K to 832 K has been achieved by substitution of different contents of Ni-Cr. The dc-electrical resistivity (p(RT)) at potential operational range around 300 K is increased from 7.5 x 10(8) to 4.85 x 10(9) Omega cm with the increase in Ni-Cr contents. Moreover, the results of the present study provide sufficient evidence to show that the electric and magnetic properties of Mg-ferrite have been improved significantly by substituting low contents of Ni-Cr. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Iqbal, Muhammad Javed; Ahmad, Zahoor] Quaid I Azam Univ, Dept Chem, Surface & Solid State Chem Lab, Islamabad 45320, Pakistan. [Meydan, Turgut] Cardiff Univ, Wolfson Ctr Magnet, Sch Engn, Cardiff CF24 3AA, S Glam, Wales. [Nlebedim, Ikenna Cajetan] US DOE, Ames Lab, Ames, IA 50011 USA. RP Iqbal, MJ (reprint author), Quaid I Azam Univ, Dept Chem, Surface & Solid State Chem Lab, Islamabad 45320, Pakistan. EM mjiqauchem@yahoo.com RI Iqbal, Muhammad Javed/F-5103-2015; OI Meydan, Turgut/0000-0002-4608-0507 FU Higher Education Commission (HEC) of Pakistan FX Financial support for this work provided by Higher Education Commission (HEC) of Pakistan is gratefully acknowledged. NR 34 TC 6 Z9 6 U1 1 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0025-5408 EI 1873-4227 J9 MATER RES BULL JI Mater. Res. Bull. PD FEB PY 2012 VL 47 IS 2 BP 344 EP 351 DI 10.1016/j.materresbull.2011.11.011 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA 892FN UT WOS:000300272200030 ER PT J AU Knudson, DL Rempe, JL AF Knudson, D. L. Rempe, J. L. TI Linear variable differential transformer (LVDT)-based elongation measurements in Advanced Test Reactor high temperature irradiation testing SO MEASUREMENT SCIENCE AND TECHNOLOGY LA English DT Article DE in-pile instrumentation; nuclear fuel properties AB New materials are being considered for fuel, cladding and structures in next generation and existing nuclear reactors. These materials can undergo significant dimensional and physical changes during high temperature irradiations. Currently, such changes are determined by repeatedly irradiating a specimen for a specified period of time in the Advanced Test Reactor (ATR) and then removing it from the reactor for evaluation. The labor and time to remove, examine and return irradiated samples for each measurement make this approach very expensive. In addition, such techniques provide limited data and may disturb the phenomena of interest. To resolve these issues, an instrumented creep testing capability is being developed for specimens irradiated under pressurized water reactor coolant conditions in the ATR at the Idaho National Laboratory (INL). This paper reports the status of INL efforts to develop this testing capability. In addition to providing an overview of in-pile creep test capabilities available at other test reactors, this paper focuses on efforts to design and evaluate a prototype test rig in an autoclave at INL's High Temperature Test Laboratory. C1 [Knudson, D. L.; Rempe, J. L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Knudson, DL (reprint author), Idaho Natl Lab, POB 1625,Mail Stop 3840, Idaho Falls, ID 83415 USA. EM Darrell.Knudson@inl.gov; Joy.Rempe@inl.gov OI Rempe, Joy/0000-0001-5527-3549 FU US Department of Energy, Office of Nuclear Energy, under DOE-NE Idaho Operations Office [DE AC07 05ID14517] FX This work was supported by the US Department of Energy, Office of Nuclear Energy, under DOE-NE Idaho Operations Office Contract DE AC07 05ID14517. NR 19 TC 2 Z9 2 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-0233 EI 1361-6501 J9 MEAS SCI TECHNOL JI Meas. Sci. Technol. PD FEB PY 2012 VL 23 IS 2 AR 025604 DI 10.1088/0957-0233/23/2/025604 PG 7 WC Engineering, Multidisciplinary; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 889FB UT WOS:000300057900033 ER PT J AU Jen, KY Mao, JH Balmain, A AF Jen, K-Y Mao, J-H Balmain, A. TI Sequential Mutations in Notch1 and Fbxw7 in Radiation-Induced Mouse Thymic Lymphomas SO MODERN PATHOLOGY LA English DT Meeting Abstract CT 101st Annual Meeting of the United-States-and-Canadian-Academy-of-Pathology CY MAR 17-23, 2012 CL Vancouver, CANADA SP US & Canadian Acad Pathol C1 Univ Calif San Francisco, San Francisco, CA 94143 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0893-3952 J9 MODERN PATHOL JI Mod. Pathol. PD FEB PY 2012 VL 25 SU 2 MA 1443 BP 344A EP 345A PG 2 WC Pathology SC Pathology GA 888EP UT WOS:000299986901720 ER PT J AU Bertin, A McMurray, MA Piersonb, J Thai, L McDonald, KL Zehr, EA Garcia, G Peters, P Thorner, J Nogales, E AF Bertin, Aurelie McMurray, Michael A. Piersonb, Jason Thai, Luong McDonald, Kent L. Zehr, Elena A. Garcia, Galo, III Peters, Peter Thorner, Jeremy Nogales, Eva TI Three-dimensional ultrastructure of the septin filament network in Saccharomyces cerevisiae SO MOLECULAR BIOLOGY OF THE CELL LA English DT Article ID BUDDING YEAST; CELL-CYCLE; GENE-PRODUCT; TOMOGRAPHIC RECONSTRUCTIONS; POLARIZED GROWTH; PLASMA-MEMBRANE; PROTEIN-KINASE; RING; ORGANIZATION; COMPARTMENTALIZATION AB Septins are conserved GTP-binding proteins involved in membrane compartmentalization and remodeling. In budding yeast, five mitotic septins localize at the bud neck, where the plasma membrane is enriched in phosphatidylinositol-4,5-bisphosphate (PtdIns4,5P(2)). We previously established the subunit organization within purified yeast septin complexes and how these hetero-octamers polymerize into filaments in solution and on PtdIns4,5P(2)-containing lipid monolayers. How septin ultrastructure in vitro relates to the septin-containing filaments observed at the neck in fixed cells by thin-section electron microscopy was unclear. A morphological description of these filaments in the crowded space of the cell is challenging, given their small cross section. To examine septin organization in situ, sections of dividing yeast cells were analyzed by electron tomography of freeze-substituted cells, as well as by cryo-electron tomography. We found networks of filaments both perpendicular and parallel to the mother-bud axis that resemble septin arrays on lipid monolayers, displaying a repeat pattern that mirrors the molecular dimensions of the corresponding septin preparations in vitro. Thus these in situ structures most likely represent septin filaments. In viable mutants lacking a single septin, in situ filaments are still present, although more disordered, consistent with other evidence that the in vivo function of septins requires filament formation. C1 [Bertin, Aurelie; McMurray, Michael A.; Thai, Luong; McDonald, Kent L.; Zehr, Elena A.; Garcia, Galo, III; Thorner, Jeremy; Nogales, Eva] Univ Calif Berkeley, Dept Mol & Cell Biol, Div Biochem & Mol Biol, Berkeley, CA 94720 USA. [Piersonb, Jason; Peters, Peter] Antoni van Leeuwenhoek Hosp, Netherlands Canc Inst, Div Cell Biol, NL-1066 CX Amsterdam, Netherlands. [Peters, Peter] Delft Univ Technol, Kavli Inst Nanosci, NL-2628 CJ Delft, Netherlands. [Nogales, Eva] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Nogales, Eva] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. RP Nogales, E (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, Div Biochem & Mol Biol, Berkeley, CA 94720 USA. EM enogales@lbl.gov FU Jane Coffin Childs Postdoctoral Research Fellowship [61-1357]; National Institutes of Health [GM86603, GM21841] FX We thank Manfred Auer and Jeff Triffo (Lawrence Berkeley National Laboratory, Berkeley, CA) for their advice and technical help. This work was supported by Jane Coffin Childs Postdoctoral Research Fellowship 61-1357 (to A. B.), National Institutes of Health K99 Grant GM86603 (to M. A. M.), and National Institutes of Health R01 Grant GM21841 (to J.T.). E.N. is a Howard Hughes Medical Institute Investigator. NR 62 TC 41 Z9 42 U1 1 U2 7 PU AMER SOC CELL BIOLOGY PI BETHESDA PA 8120 WOODMONT AVE, STE 750, BETHESDA, MD 20814-2755 USA SN 1059-1524 J9 MOL BIOL CELL JI Mol. Biol. Cell PD FEB 1 PY 2012 VL 23 IS 3 BP 423 EP 432 DI 10.1091/mbc.E11-10-0850 PG 10 WC Cell Biology SC Cell Biology GA 894EN UT WOS:000300409900003 PM 22160597 ER PT J AU Crochet, JJ Duque, JG Werner, JH Doorn, SK AF Crochet, Jared J. Duque, Juan G. Werner, James H. Doorn, Stephen K. TI Photoluminescence imaging of electronic-impurity-induced exciton quenching in single-walled carbon nanotubes SO NATURE NANOTECHNOLOGY LA English DT Article ID QUANTUM DOTS; FLUORESCENCE; SPECTRA; SPECTROSCOPY; TRANSPORT AB The electronic properties of single-walled carbon nanotubes can be altered by surface adsorption of electronic impurities or dopants. However, fully understanding the influence of these impurities is difficult because of the inherent complexity of the solution-based colloidal chemistry of nanotubes, and because of a lack of techniques for directly imaging dynamic processes involving these impurities. Here, we show that photoluminescence microscopy can be used to image exciton quenching in semiconducting single-walled carbon nanotubes during the early stages of chemical doping with two different species. The addition of AuCl3 leads to localized exciton-quenching sites, which are attributed to a mid-gap electronic impurity level, and the adsorbed species are also found sometimes to be mobile on the surface of the nanotubes. The addition of H2O2 leads to delocalized exciton-quenching hole states, which are responsible for long-range photoluminescence blinking, and are also mobile. C1 [Crochet, Jared J.; Duque, Juan G.; Werner, James H.; Doorn, Stephen K.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Crochet, JJ (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. EM skdoorn@lanl.gov OI Crochet, Jared/0000-0002-9570-2173; Werner, James/0000-0002-7616-8913 FU National Nuclear Security Administration of the US Department of Energy [DE-AC52-06NA25396] FX The authors acknowledge J.J. Han for technical support with the imaging experiment, J.D. Sau for stimulating theoretical discussions, and N.H. Mack for electron microscopy support. This work was performed at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy (contract no. DE-AC52-06NA25396). NR 41 TC 38 Z9 38 U1 1 U2 60 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD FEB PY 2012 VL 7 IS 2 BP 126 EP 132 DI 10.1038/NNANO.2011.227 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 894AJ UT WOS:000300398900015 PM 22231665 ER PT J AU Bartal, T Foord, ME Bellei, C Key, MH Flippo, KA Gaillard, SA Offermann, DT Patel, PK Jarrott, LC Higginson, DP Roth, M Otten, A Kraus, D Stephens, RB McLean, HS Giraldez, EM Wei, MSS Gautier, DC Beg, FN AF Bartal, Teresa Foord, Mark E. Bellei, Claudio Key, Michael H. Flippo, Kirk A. Gaillard, Sandrine A. Offermann, Dustin T. Patel, Pravesh K. Jarrott, Leonard C. Higginson, Drew P. Roth, Markus Otten, Anke Kraus, Dominik Stephens, Richard B. McLean, Harry S. Giraldez, Emilio M. Wei, Mingsheng S. Gautier, Donald C. Beg, Farhat N. TI Focusing of short-pulse high-intensity laser-accelerated proton beams SO NATURE PHYSICS LA English DT Article ID FAST IGNITION; ION-BEAMS; ELECTRON; DRIVEN; PLASMA AB Recent progress in generating high-energy (>50 MeV) protons from intense laser-matter interactions (10(18)-10(21) W cm(-2); refs 1-7) has opened up new areas of research, with applications in radiography(8), oncology(9), astrophysics(10), medical imaging(11), high-energy-density physics(12-14), and ion-proton beam fast ignition(15-19). With the discovery of proton focusing with curved surfaces(20,21), rapid advances in these areas will be driven by improved focusing technologies. Here we report on the first investigation of the generation and focusing of a proton beam using a cone-shaped target. We clearly show that the focusing is strongly affected by the electric fields in the beam in both open and enclosed (cone) geometries, bending the trajectories near the axis. Also in the cone geometry, a sheath electric field effectively 'channels' the proton beam through the cone tip, substantially improving the beam focusing properties. These results agree well with particle simulations and provide the physics basis for many future applications. C1 [Bartal, Teresa; Jarrott, Leonard C.; Higginson, Drew P.; Beg, Farhat N.] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. [Bartal, Teresa; Foord, Mark E.; Bellei, Claudio; Key, Michael H.; Patel, Pravesh K.; Higginson, Drew P.; McLean, Harry S.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Flippo, Kirk A.; Offermann, Dustin T.; Gautier, Donald C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Gaillard, Sandrine A.] HZDR, D-01314 Dresden, Germany. [Roth, Markus; Otten, Anke; Kraus, Dominik] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Stephens, Richard B.; Giraldez, Emilio M.; Wei, Mingsheng S.] Gen Atom Co, San Diego, CA 92121 USA. RP Beg, FN (reprint author), Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. EM fbeg@ucsd.edu RI Patel, Pravesh/E-1400-2011; Flippo, Kirk/C-6872-2009; Higginson, Drew/G-5942-2016; OI Flippo, Kirk/0000-0002-4752-5141; Higginson, Drew/0000-0002-7699-3788; Offermann, Dustin/0000-0002-6033-4905; Stephens, Richard/0000-0002-7034-6141 FU TRIDENT at Los Alamos National Laboratory; Lawrence Livermore National Laboratory; US Department of Energy by Lawrence Livermore National Laboratory [DE-SC0001265]; BMBF [06DA9044I] FX The authors sincerely thank P. Norreys for helpful discussions concerning this work and gratefully acknowledge the support of the staff at the TRIDENT laser facility at Los Alamos National Laboratory. We would also like to thank T. Yabuuchi for useful discussions. T. B. is supported through the Lawrence Scholar Program at Lawrence Livermore National Laboratory. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-SC0001265. M. R., A.O. and D. K. are supported by the BMBF 06DA9044I. NR 32 TC 50 Z9 51 U1 3 U2 41 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 J9 NAT PHYS JI Nat. Phys. PD FEB PY 2012 VL 8 IS 2 BP 139 EP 142 DI 10.1038/NPHYS2153 PG 4 WC Physics, Multidisciplinary SC Physics GA 894CD UT WOS:000300403700018 ER PT J AU Yang, LY Koralek, JD Orenstein, J Tibbetts, DR Reno, JL Lilly, MP AF Yang, Luyi Koralek, J. D. Orenstein, J. Tibbetts, D. R. Reno, J. L. Lilly, M. P. TI Doppler velocimetry of spin propagation in a two-dimensional electron gas SO NATURE PHYSICS LA English DT Article ID HETERODYNE-DETECTION; EFFECT TRANSISTOR; QUANTUM-WELLS; COULOMB DRAG; SEMICONDUCTORS; GRATINGS; DIFFUSION AB Controlling the flow of electrons by manipulating their spin is a key to the development of spin-based electronics. Recent demonstrations of electrical-gate control in spin-transistor configurations have shown great promise, but operation at room temperature remains elusive. Further progress requires a deeper understanding of the propagation of spin polarization, particularly in the high-mobility semiconductors used for devices. Here we report the application of Doppler velocimetry to resolve the motion of spin-polarized electrons in GaAs quantum wells driven by a drifting Fermi sea. We find that the spin mobility tracks the high electron mobility precisely as a function of temperature. However, we also observe that the coherent precession of spins driven by spin-orbit interaction, which is essential for the operation of a broad class of spin logic devices, breaks down at temperatures above 150 K, for reasons that are not yet understood theoretically. C1 [Yang, Luyi; Orenstein, J.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Yang, Luyi; Koralek, J. D.; Orenstein, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Tibbetts, D. R.; Reno, J. L.; Lilly, M. P.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Orenstein, J (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM JWOrenstein@lbl.gov RI Orenstein, Joseph/I-3451-2015 FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy [DE-AC02-05CH11231]; US Department of Energy, Office of Basic Energy Sciences at Sandia National Laboratories [DE-AC04-94AL85000] FX All the optical and some of the electrical measurements were carried out at Lawrence Berkeley National Laboratory and were supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy under Contract No. DE-AC02-05CH11231. Sample growth and processing and some of the transport measurements were performed at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility at Sandia National Laboratories (Contract No. DE-AC04-94AL85000). NR 30 TC 17 Z9 17 U1 2 U2 25 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 EI 1745-2481 J9 NAT PHYS JI Nat. Phys. PD FEB PY 2012 VL 8 IS 2 BP 153 EP 157 DI 10.1038/NPHYS2157 PG 5 WC Physics, Multidisciplinary SC Physics GA 894CD UT WOS:000300403700021 ER PT J AU Kojo, T Hidaka, Y Fukushima, K McLerran, LD Pisarski, RD AF Kojo, Toru Hidaka, Yoshimasa Fukushima, Kenji McLerran, Larry D. Pisarski, Robert D. TI Interweaving chiral spirals SO NUCLEAR PHYSICS A LA English DT Article DE Dense quark matter; Chiral spirals; Large N-c ID EFFECTIVE-FIELD THEORY; NONLOCAL NJL MODEL; GROSS-NEVEU MODEL; LARGE N-C; SYMMETRY-BREAKING; PHASE-DIAGRAM; HIGH-DENSITY; QUASI-CRYSTALS; COLOR SUPERCONDUCTIVITY; QUARKYONIC MATTER AB We elaborate how to construct interweaving chiral spirals in (2 + 1) dimensions, defined as a superposition of chiral spirals oriented in different directions. We divide a two-dimensional Fermi sea into distinct wedges, characterized by the opening angle 2 Theta and depth Q similar or equal to p(F), where p(F) is the Fermi momentum. In each wedge, the energy is lowered by forming a single chiral spiral. The optimal values for Theta and Q are chosen by balancing this gain in energy versus the cost of deforming the Fermi surface (which dominates at large Theta) and patch-patch interactions (dominant at small Theta). Using a non-local four-Fermi interaction model, we estimate the gain and cost in energy by expanding in terms of 1/N-c (where N-c is the number of colors), Lambda(QCD)/Q, and Theta. Due to a form factor in our non-local model, at small 1/N-c the mass gap (chiral condensate) is large, and the interaction among quarks and the condensate local in momentum space. Consequently, interactions between different patches are localized near their boundaries, and it is simple to embed many chiral spirals. We identify the dominant and subdominant terms at high density and categorize formulate an expansion in terms of Lambda(QCD)/Q or Theta. The kinetic term in the transverse directions is sub-dominant, so that techniques from (1 + 1)-dimensional systems can be utilized. To leading order in 1/N-c and Lambda(QCD)/Q, the total gain in energy is similar to p(F)Lambda(2)(QCD) with Theta similar to (Lambda(QCD)/p(F))(3/5). Since Theta decreases with increasing p(F), there should be phase transitions associated with the change in the wedge number. We also argue the effects of subdominant terms at lower density where the large-N-c approximation is more reliable. (C) 2011 Elsevier B.V. All rights reserved. C1 [Kojo, Toru; McLerran, Larry D.] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Hidaka, Yoshimasa] RIKEN Nishina Ctr, Math Phys Lab, Wako, Saitama 3510198, Japan. [Fukushima, Kenji] Keio Univ, Dept Phys, Fujisawa, Kanagawa 2238522, Japan. [McLerran, Larry D.; Pisarski, Robert D.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Kojo, T (reprint author), Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. EM torujj@quark.phy.bnl.gov OI Fukushima, Kenji/0000-0003-0899-740X FU RIKEN; Ministry of Education, Culture, Science and Technology (MEXT) of Japan; U.S. Department of Energy [DE-AC02-98CH10886]; Alexander von Humboldt Foundation FX We thank G. Basar, G. Dunne, E.J. Ferrer, L.Y. Glozman, V. Incera, J. Liao, S. Nakamura, R. Rapp, E. Shuryak, G. Torrieri, and I. Zahed for useful comments and/or raising several important questions related to multiple (Quarkyonic) chiral spirals. Special thanks go to A.M. Tsvelik for the collaboration [19] with several of the present authors. We acknowledge the referee for constructive questions which have helped us to improve the original manuscript. T.K. acknowledges to S. Carignano and M. Buballa for explaining their NJL model studies on the chiral crystals before the publication. He also thanks the Asia Pacific Center for Theoretical Physics (APCTP) and Hashimoto Laboratory in RIKEN Nishina Center for their hospitality during his visit in March and April 2011. The research of Y.H. is supported by RIKEN and the Grand-in-Aid for the Global COE Program "The Next Generation of Physics, Spun from Universality and Emergence" from the Ministry of Education, Culture, Science and Technology (MEXT) of Japan; that of T.K. by the Postdoctoral Research Program of RIKEN; that of L.D.M. and R.D.P. by the U.S. Department of Energy under contract No. DE-AC02-98CH10886. R.D.P. also thanks the Alexander von Humboldt Foundation for their support. NR 149 TC 34 Z9 34 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD FEB 1 PY 2012 VL 875 BP 94 EP 138 DI 10.1016/j.nuclphysa.2011.11.007 PG 45 WC Physics, Nuclear SC Physics GA 892BR UT WOS:000300262200004 ER PT J AU Lockwood, BA Anitescu, M AF Lockwood, Brian A. Anitescu, Mihai TI Gradient-Enhanced Universal Kriging for Uncertainty Propagation SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article ID ESTIMATE MODEL CALIBRATION; BIOLOGICAL-SYSTEMS; COMPUTER-MODELS; PREDICTION; FRAMEWORK; DESIGN AB In this work, we investigate the issue of providing a statistical model for the response of a computer model-described nuclear engineering system, for use in uncertainty propagation. The motivation behind our approach is the need for providing an uncertainty assessment even in the circumstances where only a few samples are available. Building on our recent work in using a regression approach with derivative information for approximating the system response, we investigate the ability of a universal gradient-enhanced Kriging model to provide a means for inexpensive uncertainty quantification. The universal Kriging model can be viewed as a hybrid of polynomial regression and Gaussian process regression. For this model, the mean behavior of the surrogate is determined by a polynomial regression, and deviations from this mean are represented as a Gaussian process. Tests with explicit functions and nuclear engineering models show that the universal gradient-enhanced Kriging model provides a more accurate surrogate model than either regression or ordinary Kriging models. In addition, we investigate the ability of the Kriging model to provide error predictions and bounds for regression models. C1 [Lockwood, Brian A.] Univ Wyoming, Dept Mech Engn, Laramie, WY 82071 USA. [Anitescu, Mihai] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Lockwood, BA (reprint author), Univ Wyoming, Dept Mech Engn, 1000 E Univ Ave, Laramie, WY 82071 USA. EM anitescu@mcs.anl.gov FU U.S. Department of Energy [DE-FG02-97ER25308, DE-AC02-06CH11357] FX This work was supported in part by the U.S. Department of Energy under a Computational Science Graduate Fellowship through grant DE-FG02-97ER25308 (B. Lockwood) and under contract DE-AC02-06CH11357 (M. Anitescu). We thank our colleagues M. Alexe, T. Fanning, O. Roderick, J. Utke, Z. Wang, and W. Yamazaki for assistance and input. We also thank the two anonymous referees for comments that have improved the quality of the paper. NR 42 TC 9 Z9 9 U1 0 U2 5 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5639 EI 1943-748X J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD FEB PY 2012 VL 170 IS 2 BP 168 EP 195 PG 28 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 891JH UT WOS:000300212500005 ER PT J AU Abazov, VM Abbott, B Achary, BS Adams, M Adams, T Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Aoki, M Arov, M Askew, A Asman, B Atramentov, O Avila, C BackusMayes, J Badaud, F Bagby, L Baldin, B Bandurin, DV Banerjee, S Barberis, E Baringer, P Barreto, J Bartlett, JF Bassler, U Bazterra, V Beale, S Bean, A Begalli, M Begel, M Belanger-Champagne, C Bellantoni, L 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 Boos, EE Borissov, G Bose, T Brandt, A Brandt, O Brock, R Brooijmans, G Bross, A Brown, D Brown, J Bu, XB Buehler, M Buescher, V Bunichev, V Burdin, S Burnett, TH Buszello, CP Calpas, B Camacho-Perez, E Carrasco-Lizarraga, MA Casey, BCK Castilla-Valdez, H Chakrabarti, S Chakraborty, D Chan, KM Chandra, A Chen, G Chevalier-Thery, S Cho, DK Cho, SW Choi, S Choudhary, B Cihangir, S Claes, D Clutter, J Cooke, M Cooper, WE Corcoran, M Couderc, F Cousinou, MC Croc, A Cutts, D Das, A Davies, G De, K de Jong, SJ De La Cruz-Burelo, E Deliot, F Demarteau, M Demina, R Denisov, D Denisov, SP Desai, S Deterre, C DeVaughan, K Diehl, HT Diesburg, M Ding, PF Dominguez, A Dorland, T Dubey, A Dudko, LV Duggan, D Duperrin, A Dutt, S Dyshkant, A Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Evans, H Evdokimov, A Evdokimov, VN Facini, G Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Fuess, S Garcia-Bellido, A Gavrilov, V Gay, P Geng, W Gerbaudo, D Gerber, CE Gershtein, Y Ginther, G Golovanov, G Goussiou, A Grannis, PD Greder, S Greenlee, H Greenwood, ZD Gregores, EM Grenier, G Gris, P Grivaz, JF Grohsjea, A Grunendahl, S Grunewald, MW Guillemin, T Guo, F Gutierrez, G Gutierrez, P Haas, A Hagopia, S Haley, J Hang, L Harder, K Harein, A Hauptman, JM Hays, J Head, T Hebbeker, T Hedin, D Hegab, H Heinson, AP Heintz, U Hensel, C Heredia-De La Cruz, I Herner, K Hesketh, G Hildreth, MD Hirosky, R Hoangau, T Hobbs, JD Hoeneisen, B Hohlfeld, M Hubacek, Z Huske, N Hynek, V Lashvili, I Ilchenko, Y Illingworth, R Ito, AS Jabeen, S Jaffre, M Jamin, D Jayasinghe, A Jesik, R Johns, K Johnson, M Johnston, D Jonckheere, A Jonsson, P Joshi, J Jung, AW Juste, A Kaadze, K Kajfasz, E Karmanov, D Kasper, PA Katsanos, II Kehoe, R Kermiche, S Khalatyan, N Khanov, A Kharchilava, A Kharzheev, YN Kirby, MH Kohli, JM Kozelov, AV Kraus, J Kulikov, S Kumar, A Kupco, A Kurca, T Kuzmin, VA Kvita, J Lammers, S Landsberg, G Lebrun, P Lee, HS Lee, SW Lee, WM 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 de Sa, RL Lubatti, HJ Luna-Garcia, R Lyon, AL Maciel, AKA Mackin, D Madar, R Magana-Villalba, R Malik, S Malyshev, VL Maravin, Y Martinez-Ortega, J McCarthy, R McGivern, CL Meijer, MM Melnitchouk, A Menezes, D Mercadante, PG Merkin, M Meyer, A Meyer, J Miconi, F Mondal, NK Muanza, GS Mulhearn, M Nagy, E Naimuddin, M Narain, M Nayyar, R Neal, HA Negret, JP Neustroev, P Novaes, SF Nunnemann, T Obrant, G Orduna, J Osman, N Osta, J Garzon, GJOY Padilla, M Pal, A Parashar, N Parihar, V Park, SK Parsons, J Partridge, R Parua, N Patwa, A Penning, B Perfilov, M Peters, K Peters, Y Petridis, K Petrillo, G Petroff, P Piegaia, R Pleier, MA Podesta-Lerma, PLM Podstavkov, VM Polozov, P Popov, AV Prewitt, M Price, D Prokopenko, N Protopopescu, S Qian, J Quadt, A Quinn, B Rangel, MS Ranjan, K Ratoff, R Razumov, I Renkel, P Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Rominsky, M Ross, A Royon, C Rubinov, P Ruchti, R Safronov, G Sajot, G Salcido, P Sanchez-Hernandez, A Sanders, MP Sanghi, B Santos, AS Savage, G Sawyer, L Scanlon, T Schamberger, RD Scheglov, Y Schellman, H Schliephake, T Schlobohm, S Schwanenberger, C Schwienhorst, R Sekaric, J Severini, H Shabalina, E Shary, V Shchukin, AA Shivpuri, RK Simak, V Sirotenko, V Skubic, P Slattery, P Smirnov, D Smith, KJ Snow, GR Snow, J Snyder, S Soldner-Rembold, S Sonnenschein, L Soustruznik, K Stark, J Stolin, V Stoyanova, DA Strauss, M Strom, D Stutte, L Suter, L Svoisky, P Takahashi, M Tanasijczuk, A Taylor, W Titov, M Tokmenin, VV Tsai, YT Tsybychev, D Tuchming, B Tully, C Uvarov, L Uvarov, S Uzunyan, S Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Verdier, P Vertogradov, LS Verzocchi, M Vesterinen, M Vilanova, D Vokac, P Wahl, HD Wang, MHLS Warchol, J Watts, G Wayne, M Weber, M Welty-Rieger, L White, A Wicke, D Williams, MRJ Wilson, GW 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 Youn, SW Yu, J Zelitch, S Zhao, T Zhou, B Zhu, J Zielinski, M Zieminska, D Zivkovic, L AF Abazov, V. M. Abbott, B. Achary, B. S. Adams, M. Adams, T. Alexeev, G. D. Alkhazov, G. Alton, A. Alverson, G. Alves, G. A. Aoki, M. Arov, M. Askew, A. Asman, B. Atramentov, O. Avila, C. BackusMayes, J. Badaud, F. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, S. Barberis, E. Baringer, P. Barreto, J. Bartlett, J. F. Bassler, U. Bazterra, V. Beale, S. Bean, A. Begalli, M. Begel, M. Belanger-Champagne, C. Bellantoni, L. 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. Boos, E. E. Borissov, G. Bose, T. Brandt, A. Brandt, O. Brock, R. Brooijmans, G. Bross, A. Brown, D. Brown, J. Bu, X. B. Buehler, M. Buescher, V. Bunichev, V. Burdin, S. Burnett, T. H. Buszello, C. P. Calpas, B. Camacho-Perez, E. Carrasco-Lizarraga, M. A. Casey, B. C. K. Castilla-Valdez, H. Chakrabarti, S. Chakraborty, D. Chan, K. M. Chandra, A. Chen, G. Chevalier-Thery, S. Cho, D. K. Cho, S. W. Choi, S. Choudhary, B. Cihangir, S. Claes, D. Clutter, J. Cooke, M. Cooper, W. E. Corcoran, M. Couderc, F. Cousinou, M. -C. Croc, A. Cutts, D. Das, A. Davies, G. De, K. de Jong, S. J. De La Cruz-Burelo, E. Deliot, F. Demarteau, M. Demina, R. Denisov, D. Denisov, S. P. Desai, S. Deterre, C. DeVaughan, K. Diehl, H. T. Diesburg, M. Ding, P. F. Dominguez, A. Dorland, T. Dubey, A. Dudko, L. V. Duggan, D. Duperrin, A. Dutt, S. Dyshkant, A. Eads, M. Edmunds, D. Ellison, J. Elvira, V. D. Enari, Y. Evans, H. Evdokimov, A. Evdokimov, V. N. Facini, G. Ferbel, T. Fiedler, F. Filthaut, F. Fisher, W. Fisk, H. E. Fortner, M. Fox, H. Fuess, S. Garcia-Bellido, A. Gavrilov, V. Gay, P. Geng, W. Gerbaudo, D. Gerber, C. E. Gershtein, Y. Ginther, G. Golovanov, G. Goussiou, A. Grannis, P. D. Greder, S. Greenlee, H. Greenwood, Z. D. Gregores, E. M. Grenier, G. Gris, Ph. Grivaz, J. -F. Grohsjea, A. Gruenendahl, S. Gruenewald, M. W. Guillemin, T. Guo, F. Gutierrez, G. Gutierrez, P. Haas, A. Hagopia, S. Haley, J. Hang, L. Harder, K. Harein, A. Hauptman, J. M. Hays, J. Head, T. Hebbeker, T. Hedin, D. Hegab, H. Heinson, A. P. Heintz, U. Hensel, C. Heredia-De La Cruz, I. Herner, K. Hesketh, G. Hildreth, M. D. Hirosky, R. Hoangau, T. Hobbs, J. D. Hoeneisen, B. Hohlfeld, M. Hubacek, Z. Huske, N. Hynek, V. Lashvili, I. Ilchenko, Y. Illingworth, R. Ito, A. S. Jabeen, S. Jaffre, M. Jamin, D. Jayasinghe, A. Jesik, R. Johns, K. Johnson, M. Johnston, D. Jonckheere, A. Jonsson, P. Joshi, J. Jung, A. W. Juste, A. Kaadze, K. Kajfasz, E. Karmanov, D. Kasper, P. A. Katsanos, I. I. Kehoe, R. Kermiche, S. Khalatyan, N. Khanov, A. Kharchilava, A. Kharzheev, Y. N. Kirby, M. H. Kohli, J. M. Kozelov, A. V. Kraus, J. Kulikov, S. Kumar, A. Kupco, A. Kurca, T. Kuzmin, V. A. Kvita, J. Lammers, S. Landsberg, G. Lebrun, P. Lee, H. S. Lee, S. W. Lee, W. M. 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. de Sa, R. Lopes Lubatti, H. J. Luna-Garcia, R. Lyon, A. L. Maciel, A. K. A. Mackin, D. Madar, R. Magana-Villalba, R. Malik, S. Malyshev, V. L. Maravin, Y. Martinez-Ortega, J. McCarthy, R. McGivern, C. L. Meijer, M. M. Melnitchouk, A. Menezes, D. Mercadante, P. G. Merkin, M. Meyer, A. Meyer, J. Miconi, F. Mondal, N. K. Muanza, G. S. Mulhearn, M. Nagy, E. Naimuddin, M. Narain, M. Nayyar, R. Neal, H. A. Negret, J. P. Neustroev, P. Novaes, S. F. Nunnemann, T. Obrant, G. Orduna, J. Osman, N. Osta, J. Otero y Garzon, G. J. Padilla, M. Pal, A. Parashar, N. Parihar, V. Park, S. K. Parsons, J. Partridge, R. Parua, N. Patwa, A. Penning, B. Perfilov, M. Peters, K. Peters, Y. Petridis, K. Petrillo, G. Petroff, P. Piegaia, R. Pleier, M. -A. Podesta-Lerma, P. L. M. Podstavkov, V. M. Polozov, P. Popov, A. V. Prewitt, M. Price, D. Prokopenko, N. Protopopescu, S. Qian, J. Quadt, A. Quinn, B. Rangel, M. S. Ranjan, K. Ratoff, Rn. Razumov, I. Renkel, P. Rijssenbeek, M. Ripp-Baudot, I. Rizatdinova, F. Rominsky, M. Ross, A. Royon, C. Rubinov, P. Ruchti, R. Safronov, G. Sajot, G. Salcido, P. Sanchez-Hernandez, A. Sanders, M. P. Sanghi, B. Santos, A. S. Savage, G. Sawyer, L. Scanlon, T. Schamberger, R. D. Scheglov, Y. Schellman, H. Schliephake, T. Schlobohm, S. Schwanenberger, C. Schwienhorst, R. Sekaric, J. Severini, H. Shabalina, E. Shary, V. Shchukin, A. A. Shivpuri, R. K. Simak, V. Sirotenko, V. Skubic, P. Slattery, P. Smirnov, D. Smith, K. J. Snow, G. R. Snow, J. Snyder, S. Soeldner-Rembold, S. Sonnenschein, L. Soustruznik, K. Stark, J. Stolin, V. Stoyanova, D. A. Strauss, M. Strom, D. Stutte, L. Suter, L. Svoisky, P. Takahashi, M. Tanasijczuk, A. Taylor, W. Titov, M. Tokmenin, V. V. Tsai, Y. -T. Tsybychev, D. Tuchming, B. Tully, C. Uvarov, L. Uvarov, S. Uzunyan, S. Van Kooten, R. van Leeuwen, W. M. Varelas, N. Varnes, E. W. Vasilyev, I. A. Verdier, P. Vertogradov, L. S. Verzocchi, M. Vesterinen, M. Vilanova, D. Vokac, P. Wahl, H. D. Wang, M. H. L. S. Warchol, J. Watts, G. Wayne, M. Weber, M. Welty-Rieger, L. White, A. Wicke, D. Williams, M. R. J. Wilson, G. W. Wobisch, M. Wood, D. R. Wyatt, T. R. Xie, Y. Xu, C. Yacoob, S. Yamada, R. Yang, W. -C. Yasuda, T. Yatsunenko, Y. A. Ye, Z. Yin, H. Yip, K. Youn, S. W. Yu, J. Zelitch, S. Zhao, T. Zhou, B. Zhu, J. Zielinski, M. Zieminska, D. Zivkovic, L. CA D0 Collaboration TI Search for Higgs bosons decaying to tau(+)tau(-) pairs in p(p)over-bar collisions at root s=1.96 TeV SO PHYSICS LETTERS B LA English DT Article ID HADRON COLLIDERS; MSSM; PHYSICS; SUPERSYMMETRY; FEYNHIGGS; PROGRAM AB We present a search for the production of neutral Higgs bosons decaying into tau(+)tau(-) pairs in p (p) over bar collisions at a center-of-mass energy of 1.96 TeV. The data, corresponding to an integrated luminosity of 5.4 fb(-1), were collected by the DO experiment at the Fermilab Tevatron Collider. We set upper limits at the 95% C.L. on the product of production cross section and branching ratio for a scalar resonance decaying into tau(+)tau(-) pairs, and we interpret these limits as limits on the production of Higgs bosons in the minimal supersymmetric standard model (MSSM) and as constraints in the MSSM parameter space. (C) 2011 Elsevier B.V. All rights reserved. C1 [Abazov, V. M.; Alexeev, G. D.; Golovanov, G.; Kharzheev, Y. N.; Malyshev, V. L.; Tokmenin, V. V.; Vertogradov, L. S.; Yatsunenko, Y. A.] Joint Inst Nucl Res, Dubna, Russia. [Otero y Garzon, G. J.; Piegaia, R.; Tanasijczuk, A.] Univ Buenos Aires, Buenos Aires, DF, Argentina. [Alves, G. A.; Maciel, A. K. A.; Rangel, M. S.] Ctr Brasileiro Pesquisas Fis, LAFEX, Rio De Janeiro, Brazil. [Barreto, J.; Begalli, M.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Gregores, E. M.; Mercadante, P. G.] Univ Fed ABC, Santo Andre, Brazil. [Lietti, S. M.; Novaes, S. F.; Santos, A. S.] Univ Estadual Paulista, Inst Fis Teor, BR-01405 Sao Paulo, Brazil. [Beale, S.; Liu, Z.; Taylor, W.] Simon Fraser Univ, Vancouver, BC, Canada. [Beale, S.; Liu, Z.; Taylor, W.] York Univ, Toronto, ON M3J 2R7, Canada. [Hang, L.; Liu, Y.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Avila, C.; 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.; 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.] Univ Clermont Ferrand, LPC, CNRS, IN2P3, Clermont, France. [Sajot, G.; Stark, J.] Univ Grenoble 1, LPSC, Inst Natl Polytech Grenoble, CNRS,IN2P3, Grenoble, France. 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K.; Cutts, D.; Heintz, U.; Jabeen, S.; Landsberg, G.; Narain, M.; Parihar, V.; Partridge, R.; Zivkovic, L.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; De, K.; Pal, A.; White, A.; Yu, J.] Univ Texas Arlington, Arlington, TX 76019 USA. [Ilchenko, Y.; Kehoe, R.; Renkel, P.] So Methodist Univ, Dallas, TX 75275 USA. [Chandra, A.; Corcoran, M.; Mackin, D.; Orduna, J.; Prewitt, M.] Rice Univ, Houston, TX 77005 USA. [Buehler, M.; Hirosky, R.; Mulhearn, M.; Zelitch, S.] Univ Virginia, Charlottesville, VA 22901 USA. [BackusMayes, J.; Burnett, T. H.; Dorland, T.; Goussiou, A.; Schlobohm, S.; Watts, G.; Zhao, T.] Univ Washington, Seattle, WA 98195 USA. RP Abazov, VM (reprint author), Joint Inst Nucl Res, Dubna, Russia. RI bu, xuebing/D-1121-2012; Merkin, Mikhail/D-6809-2012; Alves, Gilvan/C-4007-2013; Dudko, Lev/D-7127-2012; Perfilov, Maxim/E-1064-2012; Yip, Kin/D-6860-2013; Karmanov, Dmitry/E-2242-2012; Boos, Eduard/D-9748-2012; Gutierrez, Phillip/C-1161-2011; Novaes, Sergio/D-3532-2012; Santos, Angelo/K-5552-2012; Mercadante, Pedro/K-1918-2012; 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; Gerbaudo, Davide/J-4536-2012; Li, Liang/O-1107-2015 OI Dudko, Lev/0000-0002-4462-3192; Yip, Kin/0000-0002-8576-4311; Novaes, Sergio/0000-0003-0471-8549; De, Kaushik/0000-0002-5647-4489; Sharyy, Viatcheslav/0000-0002-7161-2616; Gerbaudo, Davide/0000-0002-4463-0878; Li, Liang/0000-0001-6411-6107 FU DOE (USA); NSF (USA); CEA (France); CNRS/IN2P3 (France); FASI (Russia); RFBR (Russia); CNPq (Brazil); FAPERJ (Brazil); FAPESP (Brazil); FUNDUNESP (Brazil); DAE (India); DST (India); Colciencias (Colombia); CONACyT (Mexico); KRF (Korea); KOSEF (Korea); CONICET (Argentina); UBACyT (Argentina); FOM (The Netherlands); STFC (United Kingdom); Royal Society (United Kingdom); MSMT (Czech Republic); GACR (Czech Republic); CRC (Canada); NSERC (Canada); BMBF (Germany); DFG (Germany); SFI (Ireland); Swedish Research Council (Sweden); CAS (China); CNSF (China); Rosatom (Russia) 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 and NSERC (Canada); BMBF and DFG (Germany); SFI (Ireland); The Swedish Research Council (Sweden); and CAS and CNSF (China). NR 41 TC 13 Z9 13 U1 0 U2 6 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 FEB 1 PY 2012 VL 707 IS 3-4 BP 323 EP 329 DI 10.1016/j.physletb.2011.12.050 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 890HA UT WOS:000300134500002 ER PT J AU Aad, G Abbott, B Abdallah, J Abdelalim, AA Abdesselam, A Abdinov, O Abi, B Abolins, M Abramowicz, H Abreu, H Acerbi, E Acharya, BS Adams, DL Addy, TN Adelman, J Aderholz, M Adomeit, S Adragna, P Adye, T Aefsky, S Aguilar-Saavedra, JA Aharrouche, M Ahlen, SP Ahles, F Ahmad, A Ahsan, M Aielli, G Akdogan, T Akesson, TPA Akimoto, G Akimov, AV Akiyama, A Alaml, MS Alam, MA Albrand, S Aleksa, M Aleksandrov, IN Alessandria, F Alexa, C Alexander, G Alexandre, G Alexopoulos, T Alhroob, M Aliev, M Alimonti, G Alison, J Aliyev, M Allport, PP Allwood-Spiers, SE Almond, J Aloisio, A Alon, R Alonso, A Alviggi, MG Amako, K Amaral, R Amelung, C Ammosov, VV Amorim, A Amoros, G Amram, N Anastopoulos, C Andari, N Andeen, T Anders, CF Anderson, KJ Andreazza, A Andrei, V Andrieux, ML Anduaga, XS Angerami, A Anghinolfi, F Anjos, N Annovi, A Antonaki, A Antonelli, M Antonov, A Antos, J Anulli, F Aoun, S Bella, LA Apolle, R Arabidze, G Aracena, I Arai, Y Arce, ATH Archambault, JP Arfaoui, S Arguin, JF Arik, E Arik, M Armbruster, AJ Arnaez, O Arnault, C Artamonov, A Artoni, G Arutinov, D Asai, S Asfandiyarov, R Ask, S Asman, B Asquith, L Assamagan, K Astbury, A Astvatsatourov, A Atoian, G Aubert, B Auerbach, B Auge, E Augsten, K Aurousseau, M Austin, N Avramidou, R Axen, D Ay, C Azuelos, G Azuma, Y Baak, MA Baccaglioni, G Bacci, C Bach, AM Bachacou, H Bachas, K Bachy, G Backes, M Backhaus, M Badescu, E Bagnaia, P Bahinipati, S Bai, Y Bailey, DC Bain, T Baines, JT Baker, OK Baker, MD Baker, S Pedrosa, FBD Banas, E Banerjee, P Banerjee, S Banfi, D Bangert, A Bansal, V Bansil, HS Barak, L Baranov, SP Barashkou, A Galtieri, AB Barber, T Barberio, EL Barberis, D Barbero, M Bardin, DY Barillari, T Barisonzi, M Barklow, T Barlow, N Barnett, BM Barnett, RM 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C Biscarat, C Bitenc, U Black, KM Blair, RE Blanchard, JB Blanchot, G Blazek, T Blocker, C Blocki, J Blondel, A Blum, W Blumenschein, U Bobbink, GJ Bobrovnikov, VB Bocchetta, SS Bocci, A Boddy, CR Boehler, M Boek, J Boelaert, N Boser, S Bogaerts, JA Bogdanchikov, A Bogouch, A Bohm, C Boisvert, V Bold, T Boldea, V Bolnet, NM Bona, M Bondarenko, VG Boonekamp, M Boorman, G Booth, CN Bordoni, S Borer, C Borisov, A Borissov, G Borjanovic, I Borroni, S Bos, K Boscherini, D Bosman, M Boterenbrood, H Botterill, D Bouchami, J Boudreau, J Bouhova-Thacker, EV Boulahouache, C Bourdarios, C Bousson, N Boveia, A Boyd, J Boyko, IR Bozhko, NI Bozovic-Jelisavcic, I Bracinik, J Braem, A Branchini, P Brandenburg, GW Brandt, A Brandt, G Brandt, O Bratzler, U Brau, B Brau, JE Braun, HM Brelier, B Bremer, J Brenner, R Bressler, S Breton, D Britton, D Brochu, FM Brock, I Brock, R Brodbeck, TJ Brodet, E Broggi, F Bromberg, C Brooijmans, G Brooks, WK Brown, G Brown, H de Renstrom, PAB Bruncko, D Bruneliere, R Brunet, S Bruni, A Bruni, G Bruschi, M Buanes, T Bucci, F Buchanan, J Buchanan, NJ Buchholz, P Buckingham, RM Buckley, AG Buda, SI Budagov, IA Budick, B Bucher, V Bugge, L Buira-Clark, D Bulekov, O Bunse, M Buran, T Burckhart, H Burdin, S Burgess, T Burke, S Busato, E Bussey, P Buszello, CP Butin, F Butler, B Butler, JM Buttar, CM Butterworth, JM Buttinger, W Byatt, T Urban, SC Caforio, D Cakir, O Calafiura, P Calderini, G Calfayan, P Calkins, R Caloba, LP Caloi, R Calvet, D Calvet, S Toro, RC Camarri, P Cambiaghi, M Cameron, D Campana, S Campanelli, M Canale, V Canelli, F Canepa, A Cantero, J Capasso, L Garrido, MDMC Caprini, I Caprini, M Capriotti, D Capua, M Caputo, R Caramarcu, C Cardarelli, R Carli, T Carlino, G Carminati, L Caron, B Caron, S Montoya, GDC Carter, AA Carter, JR Carvalho, J Casadei, D Casado, MP Cascella, M Caso, C Hernandez, AMC Castaneda-Miranda, E Gimenez, VC Castro, NF Cataldi, G Cataneo, F Catinaccio, A Catmore, JR Cattai, A Cattani, G Caughron, S Cauz, D Cavalleri, P Cavalli, D Cavalli-Sforza, M Cavasinni, V Ceradini, F Cerqueira, AS Cerri, A Cerrito, L Cerutti, F Cetin, SA Cevenini, F Chafaq, A Chakraborty, D Chan, K Chapleau, B Chapman, JD Chapman, JW Chareyre, E Charlton, DC Chavda, V Barajas, CAC Cheatham, S Chekanov, S Chekulaev, SV Chelkov, GA Chelstowska, MA Chen, C Chen, H Chen, S Chen, T Chen, X Cheng, S Cheplakov, A Chepurnov, VF El Moursli, RC Chernyatin, V Cheu, E Cheung, SL Chevalier, L Chiefari, G Chikovani, L Childers, JT Chilingarov, A Chiodini, G Chizhov, MV Choudalakis, G Chouridou, S Christidi, IA Christov, A Chromek-Burckhart, D Chu, ML Chudoba, J Ciapetti, G Ciba, K Ciftci, AK Ciftci, R Cinca, D Cindro, V Ciobotaru, MD Ciocca, C Ciocio, A Cirilli, M Ciubancan, M Clark, A Clark, PJ Cleland, W Clemens, JC Clement, B Clement, C Clifft, RW Coadou, Y Cobal, M Coccaro, A Cochran, J Coe, P Cogan, JG Coggeshall, J Cogneras, E Cojocaru, CD Colas, J Colijn, AP Collard, C Collins, NJ Collins-Tooth, C Collot, J Colon, G Muino, 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Woudstra, M. J. Wraight, K. Wright, C. Wrona, B. Wu, S. L. Wu, X. Wu, Y. Wulf, E. Wunstorf, R. Wynne, B. M. Xaplanteris, L. Xella, S. Xie, S. Xie, Y. Xu, C. Xu, D. Xu, G. Yabsley, B. Yamada, M. Yamamoto, A. Yamamoto, K. Yamamoto, S. Yamamura, T. Yamaoka, J. Yamazaki, T. Yamazaki, Y. Yan, Z. Yang, H. Yang, U. K. Yang, Y. Yang, Y. Yang, Z. Yanush, S. Yao, W. -M. Yao, Y. Yasu, Y. Smit, G. V. Ybeles Ye, J. Ye, S. Yilmaz, M. Yoosoofmiya, R. Yorita, K. Yoshida, R. Young, C. Youssef, S. Yu, D. Yu, J. Yu, J. Yuan, L. Yurkewicz, A. Zaets, V. G. Zaidan, R. Zaitsev, A. M. Zajacova, Z. Zalite, Yo K. Zanello, L. Zarzhitsky, P. Zaytsev, A. Zeitnitz, C. Zeller, M. Zemla, A. Zendler, C. Zenin, A. V. Zenin, O. Zenis, T. Zenonos, Z. Zenz, S. Zerwas, D. della Porta, G. Zevi Zhan, Z. Zhang, D. Zhang, H. Zhang, J. Zhang, X. Zhang, Z. Zhao, L. Zhao, T. Zhao, Z. Zhemchugov, A. Zheng, S. Zhong, J. Zhou, B. Zhou, N. Zhou, Y. Zhu, C. G. Zhu, H. Zhu, Y. Zhuang, X. Zhuravlov, V. Zieminska, D. Zimmermann, R. Zimmermann, S. Zimmermann, S. Ziolkowski, M. Zitoun, R. Zivkovic, L. Zmouchko, V. V. Zobernig, G. Zoccoli, A. Zolnierowski, Y. Zsenei, A. zur Nedden, M. Zutshi, V. Zwalinski, L. CA ATLAS Collaboration TI Measurement of the pseudorapidity and transverse momentum dependence of the elliptic flow of charged particles in lead-lead collisions at root s(NN)=2.76 TeV with the ATLAS detector SO PHYSICS LETTERS B LA English DT Article DE LHC; ATLAS; Heavy ions; Elliptic flow ID NUCLEAR COLLISIONS; COLLABORATION; PERSPECTIVE AB This Letter describes the measurement of elliptic flow of charged particles in lead-lead collisions at root s(NN) = 2.76 TeV using the ATLAS detector at the Large Hadron Collider (LHC). The results are based on an integrated luminosity of approximately 7 mu b(-1). Elliptic flow is measured over a wide region in pseudorapidity, vertical bar eta vertical bar < 2.5, and over a broad range in transverse momentum, 0.5 < p(T) < 20 GeV. The elliptic flow parameter nu(2) is obtained by correlating individual tracks with the event plane measured using energy deposited in the forward calorimeters. As a function of transverse momentum, nu(2)(p(T)) reaches a maximum at p(T) of about 3 GeV. then decreases and becomes weakly dependent on p(T) above 7-8 GeV. Over the measured pseudorapidity region, nu(2) is found to be only weakly dependent on eta, with less variation than observed at lower beam energies. The results are discussed in the context of previous measurements at lower collision energies, as well as recent results from the LHC. (C) 2011 CERN. Published by Elsevier B.V. All rights reserved. C1 [Aad, G.; Ahles, F.; Beckingham, M.; Bernhard, R.; Bitenc, U.; Bruneliere, R.; Caron, S.; Christov, A.; Consorti, V.; Eckert, S.; Fehling-Kaschek, M.; Flechl, M.; Glatzer, J.; Hartert, J.; Herten, G.; Horner, S.; Jakobs, K.; Ketterer, C.; Kollefrath, M.; Kononov, A. 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[Bai, Y.; Cheng, S.; Han, H.; Jin, S.; Lu, F.; Ouyang, Q.; Shan, L. Y.; Tong, G.; Xie, Y.; Xu, G.; Yang, Y.; Yuan, L.; Zheng, S.] Chinese Acad Sci, Inst High Energy Phys, Beijing, Peoples R China. [Han, L.; Jiang, Y.; Jin, G.; Li, S.; Liu, M.; Liu, Y.; Wang, H.; Wu, Y.; Xu, C.; Zhang, D.; Zhao, Z.] Univ Sci & Technol China, Dept Modern Phys, Hefei, Anhui, Peoples R China. [Chen, S.; Chen, T.; Ping, J.; Yu, J.; Zhong, J.] Nanjing Univ, Dept Phys, Nanjing, Jiangsu, Peoples R China. [Feng, C.; Ge, P.; He, M.; Liu, D.; Meng, Z.; Miao, J.; Wang, J.; Zhan, Z.; Zhang, X.; Zhu, C. G.] Shandong Univ, High Energy Phys Grp, Jinan, Shandong, Peoples R China. [Busato, E.; Calvet, D.; Calvet, S.; Toro, R. Camacho; Cinca, D.; Febbraro, R.; Ghodbane, N.; Guicheney, C.; Pallin, D.; Podlyski, F.; Santoni, C.; Says, L. P.; Vazeille, F.] Clermont Univ, Phys Corpusculaire Lab, Aubiere, France. [Busato, E.; Calvet, D.; Calvet, S.; Toro, R. Camacho; Cinca, D.; Febbraro, R.; Ghodbane, N.; Guicheney, C.; Pallin, D.; Podlyski, F.; Santoni, C.; Says, L. P.; Vazeille, F.] Univ Clermont Ferrand, Aubiere, France. [Busato, E.; Calvet, D.; Calvet, S.; Toro, R. Camacho; Cinca, D.; Febbraro, R.; Ghodbane, N.; Guicheney, C.; Pallin, D.; Podlyski, F.; Santoni, C.; Says, L. P.; Vazeille, F.] CNRS IN2P3, Aubiere, France. [Andeen, T.; Angerami, A.; Brooijmans, G.; Copic, K.; Dodd, J.; Grau, N.; Guo, J.; Hughes, E. W.; Leltchouk, M.; Mateos, D. Lopez; Parsons, J. A.; Penson, A.; Perez, K.; Reale, V. Perez; Spano, F.; Tuts, P. M.; Urbaniec, D.; Williams, E.; Willis, W.; Wulf, E.; Zivkovic, L.] Columbia Univ, Nevis Lab, Irvington, NY USA. [Boelaert, N.; Dam, M.; Driouichi, C.; Hansens, J. R.; Hansen, J. B.; Hansens, J. D.; Hansen, P. H.; Heisterkamp, S.; Jakobsen, S.; Jez, P.; Joergensen, M. D.; Kadlecik, P.; Klinkby, E. B.; Lundquist, J. J.; Mackeprang, R.; Mehlhase, S.; Petersen, T. C.; Simonyan, M.; Xella, S.] Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark. [Capua, M.; Crosetti, G.; Fazio, S.; La Rotonda, L.; Mastroberardino, A.; Morello, G.; Salvatore, D.; Schioppa, M.; Susinno, G.; Tassi, E.] INFN Grp Collegato Cosenza, Rome, Italy. [Capua, M.; Crosetti, G.; Fazio, S.; La Rotonda, L.; Mastroberardino, A.; Morello, G.; Salvatore, D.; Schioppa, M.; Susinno, G.; Tassi, E.] Univ Calabria, Dipartimento Fis, Arcavacata Di Rende, Italy. [Bold, T.; Ciba, K.; Dabrowski, W.; Dwuznik, M.; Grabowska-Bold, I.; Idzik, M.; Jelen, K.; Kisielewska, D.; Koperny, S.; Kowalski, T. Z.; Mindur, B.; Rulikowska-Zarebska, E.; Toczek, B.] AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, Krakow, Poland. [Banas, E.; Blocki, J.; de Renstrom, P. A. Bruckman; Derendarz, D.; Gornicki, E.; Hajduk, Z.; Iwanski, W.; Kaczmarska, A.; Korcyl, K.; Malecki, Pa; Malecki, P.; Olszewski, A.; Olszowska, J.; Richter-Was, E.; Trzupek, A.; Turala, M.; Wolter, M. W.; Wosiek, B. 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Perez; Petschull, D.; Piec, S. M.; Placakyte, R.; Qin, Z.; Rubinskiy, I.; Stelzer, H. J.; Tackmann, K.; Terwort, M.; Vankov, P.; Viti, M.; Wildt, M. A.; Zhu, H.] DESY, D-2000 Hamburg, Germany. [Bechtle, P.; Kuutmann, E. Bergeaas; Boehler, M.; Dietrich, J.; Ehrenfeld, W.; Ferrara, V.; Fischer, G.; Glazov, A.; Goebel, M.; Fajardo, L. S. Gomez; Da Costa, J. Goncalves Pinto Firmino; Gosdzik, B.; Grahn, K. -J.; Gregor, I. M.; Hiller, K. H.; Hristova, I.; Husemann, U.; Belenguer, M. M. Jimenez; Johnert, S.; Karnevskiy, M.; Katzy, J.; Kono, T.; Lange, C.; Lobodzinska, E.; Ludwig, D.; Maettig, S.; Medinnis, M.; Mijovic, L.; Moenig, K.; Naumann, T.; Nozicka, M.; Cavalcanti, T. Perez; Petschull, D.; Piec, S. M.; Placakyte, R.; Qin, Z.; Rubinskiy, I.; Stelzer, H. J.; Tackmann, K.; Terwort, M.; Vankov, P.; Viti, M.; Wildt, M. A.; Zhu, H.] DESY, Zeuthen, Germany. [Dobos, D.; Goessing, C.; Hirsch, F.; Klaiber-Lodewigs, J.; Klingenberg, R.; Krasel, O.; Mass, M.; Reisinger, I.; Walbersloh, J.; Weber, J.; Wunstorf, R.] Tech Univ Dortmund, Inst Expt Phys 4, Dortmund, Germany. [Goepfert, T.; Kar, D.; Kobel, M.; Leonhardt, K.; Ludwig, A.; Mader, W. F.; Prudent, X.; Schwierz, R.; Seifert, F.; Steinbach, P.; Straessner, A.; Vest, A.] Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. [Arce, A. T. H.; Benjamin, D. P.; Bocci, A.; Ebenstein, W. L.; Fowler, A. J.; Ko, B. R.; Kotwal, A.; Oh, S. H.; Sauvage, G.; Wang, C.; Yamaoka, J.] Duke Univ, Dept Phys, Durham, NC 27706 USA. [Bhimji, W.; Buckley, A. G.; Bunse, M.; Clark, P. J.; O'Brien, B. J.; Wynne, B. M.] Univ Edinburgh, SUPA Sch Phys & Astron, Edinburgh, Midlothian, Scotland. [Griesmayer, E.] Fachhsch Wiener Neustadt, A-2700 Wiener Neustadt, Austria. [Annovi, A.; Antonelli, M.; Bilokon, H.; Cerutti, F.; Curatolo, M.; Esposito, B.; Ferrer, M. L.; Gatti, C.; Laurelli, P.; Maccarrone, G.; Sansoni, A.; Testa, M.; Vilucchi, E.; Volpi, G.; Wen, M.] INFN Lab Nazl Frascati, Frascati, Italy. [Abdelalim, A. A.; Alexandre, G.; Backes, M.; Bell, P. J.; Bell, W. H.; Berglund, E.; Blondel, A.; Bucci, F.; Clark, A.; Dao, V.; Ferrere, D.; Gadomski, S.; Navarro, J. E. Garcia; Gaumer, O.; Gonzalez-Sevilla, S.; Goulette, M. P.; Hamilton, A.; Iacobucci, G.; Leger, A.; Lister, A.; Macina, D.; Latour, B. Martin Dit; Herrera, C. Mora; Morone, M. -C.; Nektarijevic, S.; Nessi, M.; Pasztor, G.; Pohl, M.; Robichaud-Veronneau, A.; Rosbach, K.; Rosselet, L.; Wu, X.] Univ Geneva, Sect Phys, Geneva, Switzerland. [Barberis, D.; Beccherle, R.; Caso, C.; Coccaro, A.; Cornelissen, T.; Cuneo, S.; Darbo, G.; Parodi, A. Ferretto; Gagliardi, G.; Gemme, C.; Morettini, P.; Olcese, M.; Osculati, B.; Parodi, F.; Rossi, L. P.; Schiavi, C.] INFN Sez Genova, Genoa, Italy. [Barberis, D.; Caso, C.; Coccaro, A.; Cornelissen, T.; Cuneo, S.; Dameri, M.; Parodi, A. Ferretto; Gagliardi, G.; Osculati, B.; Parodi, F.; Schiavi, C.] Univ Genoa, Dipartimento Fis, Genoa, Italy. [Chikovani, L.; Djobava, T.; Khubua, J.; Mchedlidze, G.; Mosidze, M.; Tskhadadze, E. G.] Georgian Acad Sci, Inst Phys, GE-380077 Tbilisi, Rep of Georgia. [Chikovani, L.; Djobava, T.; Khubua, J.; Mchedlidze, G.; Mosidze, M.; Tskhadadze, E. G.] Georgian Acad Sci, HEP Inst, GE-380060 Tbilisi, Rep of Georgia. [Chikovani, L.; Djobava, T.; Khubua, J.; Mchedlidze, G.; Mosidze, M.; Tskhadadze, E. G.] Tbilisi State Univ, GE-380086 Tbilisi, Rep of Georgia. [Astvatsatourov, A.; Dueren, M.; Stenzel, H.] Univ Giessen, Inst Phys 2, D-6300 Giessen, Germany. [Allwood-Spiers, S. E.; Bates, R. L.; Britton, D.; Bussey, P.; Buttar, C. M.; Collins-Tooth, C.; D'Auria, S.; Doherty, T.; Doyle, A. T.; Edwards, N. C.; Ferrag, S.; Ferrando, J.; Gemmell, A.; Kenyon, M.; McGlone, H.; Moraes, A.; O'Shea, V.; Barrera, C. Oropeza; Pickford, A.; Robson, A.; Saxon, D. H.; Shaw, C.; Smith, K. M.; St Denis, R. D.; Steele, G.; Thompson, A. S.; Wraight, K.; Wright, C.] Univ Glasgow, SUPA Sch Phys & Astron, Glasgow, Lanark, Scotland. [Ay, C.; Blumenschein, U.; Brandt, O.; Erdmann, J.; Evangelakou, D.; George, M.; Grosse-Knetter, J.; Guindon, S.; Haller, J.; Henrichs, A.; Hensel, C.; Keil, M.; Knue, A.; Kohn, F.; Krieger, N.; Kroeninger, K.; Magradze, E.; Mann, A.; Meyer, J.; Morel, J.; Quadt, A.; Roe, A.; Shabalina, E.; Uhrmacher, M.; Weber, P.; Weingarten, J.] Univ Gottingen, Inst Phys 2, Gottingen, Germany. [Albrand, S.; Andrieux, M. -L.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; de Saintignon, R.; Delsart, P. A.; Donini, J.; Dzahini, D.; Hostachy, J. -Y.; Laisne, E.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Martin, Ph; Polci, F.; Stark, J.; Sun, X.; Trocme, B.; Weydert, C.] Univ Grenoble 1, Lab Phys Subat & Cosmol, Grenoble, France. [Albrand, S.; Andrieux, M. -L.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; de Saintignon, R.; Delsart, P. A.; Donini, J.; Dzahini, D.; Hostachy, J. -Y.; Laisne, E.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Martin, Ph; Polci, F.; Stark, J.; Sun, X.; Trocme, B.; Weydert, C.] CNRS IN2P3, Grenoble, France. [Albrand, S.; Andrieux, M. -L.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; de Saintignon, R.; Delsart, P. A.; Donini, J.; Dzahini, D.; Hostachy, J. -Y.; Laisne, E.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Martin, Ph; Polci, F.; Stark, J.; Sun, X.; Trocme, B.; Weydert, C.] Inst Natl Polytech Grenoble, F-38031 Grenoble, France. [Addy, T. N.; Harvey, A.; McFarlane, K. W.; Shin, T.; Vassilakopoulos, V. I.] Hampton Univ, Dept Phys, Hampton, VA 23668 USA. [da Costa, J. Barreiro Guimaraes; Belloni, A.; Brandenburg, G. W.; Franklin, M.; Hurst, P.; Huth, J.; Jeanty, L.; Kagan, M.; Outschoorn, V. Martinez; Mercurio, K. M.; Mills, C.; Moed, S.; Morii, M.; Prasad, S.; Smith, B. C.; della Porta, G. Zevi] Harvard Univ, Lab Particle Phys & Cosmol, Cambridge, MA 02138 USA. [Andrei, V.; Childers, J. T.; Davygora, Y.; Dietzsch, T. A.; Foehlisch, F.; Geweniger, C.; Hanke, P.; Henke, M.; Khomich, A.; Kluge, E. -E.; Lendermann, V.; Meier, K.; Mueller, F.; Poddar, S.; Scharf, V.; Schultz-Coulon, H. -C.; Stamen, R.; Wessels, M.] Heidelberg Univ, Kirchhoff Inst Phys, Heidelberg, Germany. [Radescu, V.; Schaetzel, S.; Schmitt, S.; Schoening, A.] Heidelberg Univ, Inst Phys, D-6900 Heidelberg, Germany. [Kugel, A.; Maenner, R.; Schroer, N.] Heidelberg Univ, ZITI Inst Tech Informat, D-6800 Mannheim, Germany. [Ohsugi, T.] Hiroshima Univ, Fac Sci, Hiroshima 730, Japan. [Nagasaka, Y.] Hiroshima Inst Technol, Fac Appl Informat Sci, Hiroshima, Japan. [Brunet, S.; Cwetanski, R.; Evans, H.; Gagnon, P.; Jain, V.; Luehring, F.; Marino, C. P.; Ogren, H.; Penwell, J.; Price, D.; Rust, D. R.; Whittington, D.; Yang, Y.; Zieminska, D.] Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. [Epp, B.; Jussel, P.; Kneringer, E.; Kuhn, D.; Rudolph, G.] Leopold Franzens Univ, Inst Astro & Teilchenphys, Innsbruck, Austria. [Behera, P. K.; Limper, M.; Mallik, U.; Zaidan, R.] Univ Iowa, Iowa City, IA USA. [Chen, C.; Cochran, J.; Dudziak, F.; Mete, A. S.; Meyer, W. T.; Nelson, A.; Prell, S.; Rosenberg, E. I.; Ruiz-Martinez, A.; Yamamoto, K.] Iowa State Univ, Dept Phys & Astron, Ames, IA USA. [Aleksandrov, I. N.; Barashkou, A.; Bardin, D. Y.; Bednyakov, V. A.; Boyko, I. R.; Budagov, I. A.; Chelkov, G. A.; Cheplakov, A.; Chepurnov, V. F.; Chizhov, M. V.; Dedovich, D. V.; Demichev, M.; Glonti, G. L.; Gostkin, M. I.; Grigalashvili, N.; Gusakov, Y.; Huseynov, N.; Kalinovskaya, L. V.; Kazarinov, M. Y.; Kekelidze, G. D.; Kharchenko, D.; Khovanskiy, N.; Khramov, E.; Kolesnikov, V.; Kotov, V. M.; Kruchonak, U.; Krumshteyn, Z. V.; Kukhtin, V.; Ladygin, E.; Lazarev, A. B.; Manjavidze, I. D.; Minashvili, I. A.; Mineev, M.; Nikolaev, K.; Olchevski, A. G.; Peshekhonov, V. D.; Romanov, V. M.; Rumyantsev, L.; Rusakovich, N. A.; Sadykov, R.; Sisakyan, A. N.; Topilin, N. D.; Vinogradov, V. B.; Zhemchugov, A.] Joint Inst Nucl Res Dubna, Joint Inst Nucl Res, Dubna, Russia. [Amako, K.; Arai, Y.; Doi, Y.; Haruyama, T.; Ikegami, Y.; Ikeno, M.; Ishii, K.; Ishino, M.; Iwasaki, H.; Kanzaki, J.; Kohriki, T.; Kondo, T.; Makida, Y.; Manabe, A.; Mitsui, S.; Morita, Y.; Murakami, K.; Nagano, K.; Nozaki, M.; Odaka, S.; Ohska, T. K.; Sasaki, O.; Sasaki, T.; Suzuki, Y.; Tanaka, S.; Terada, S.; Tojo, J.; Tokushuku, K.; Tsuno, S.; Unno, Y.; Yamada, M.; Yamamoto, A.; Yasu, Y.] High Energy Accelerator Res Org, KEK, Tsukuba, Ibaraki, Japan. [Akiyama, A.; Hayakawa, T.; Homma, Y.; Ichimiya, R.; Ishikawa, A.; Kawagoe, K.; King, M.; Kiyamura, H.; Kurashige, H.; Matsushita, T.; Miyazaki, K.; Nishiyama, T.; Ochi, A.; Okada, S.; Omachi, C.; Suita, K.; Takeda, H.; Tani, K.; Tokunaga, K.; Yamazaki, Y.] Kobe Univ, Grad Sch Sci, Kobe, Hyogo 657, Japan. [Sasao, N.] Kyoto Univ, Fac Sci, Kyoto, Japan. [Takashima, R.] Kyoto Univ, Kyoto 612, Japan. [Anduaga, X. S.; Dova, M. T.; Monticelli, F.; Tripiana, M. F.] Univ Nacl La Plata, Inst Fis La Plata, La Plata, Buenos Aires, Argentina. [Anduaga, X. S.; Dova, M. T.; Monticelli, F.; Tripiana, M. F.] Consejo Nacl Invest Cient & Tecn, La Plata, Buenos Aires, Argentina. [Barton, A. E.; Borissov, G.; Bouhova-Thacker, E. V.; Brodbeck, T. J.; Catmore, J. R.; Chilingarov, A.; Davidson, R.; De Mora, L.; Fox, H.; Henderson, R. C. W.; Hughes, G.; Jones, R. W. L.; Kartvelishvili, V.; Long, R. E.; Love, P. A.; Ratoff, P. N.; Sloan, T. J.; Smizanska, M.; Walder, J.] Univ Lancaster, Dept Phys, Lancaster, England. [Bianco, M.; Cataldi, G.; Chiodini, G.; Gorini, E.; Grancagnolo, F.; Guida, A.; Perrino, R.; Primavera, M.; Spagnolo, S.; Ventura, A.] INFN Sez Lecce, Rome, Italy. [Bianco, M.; Gorini, E.; Guida, A.; Spagnolo, S.; Ventura, A.] Univ Salento, Dipartimento Fis, Lecce, Italy. [Allport, P. P.; Austin, N.; Burdin, S.; Dervani, P.; Greenshaw, T.; Gwilliam, C. B.; Hayward, H. S.; Houlden, M. A.; Jackson, J. N.; Jones, T. J.; King, B. T.; Klein, M.; Klein, U.; Kluge, T.; Kretzschmar, J.; Laycock, R.; Maxfield, S. J.; Mehta, A.; Migas, S.; Prichard, P. M.; Sellers, G.; Vossebeld, J. H.; Waller, R.; Wrona, B.] Univ Liverpool, Oliver Lodge Lab, Liverpool L69 3BX, Merseyside, England. [Cindro, V.; Deliyergiyev, M.; Dolenc, I.; Filipcic, A.; Gorigek, A.; Kersevan, B. P.; Kramberger, G.; Macek, B.; Mandic, I.; Mikuz, M.; Tykhonov, A.] Jozef Stefan Inst, Dept Phys, Ljubljana, Slovenia. [Cindro, V.; Deliyergiyev, M.; Dolenc, I.; Filipcic, A.; Gorigek, A.; Kersevan, B. P.; Kramberger, G.; Macek, B.; Mandic, I.; Mikuz, M.; Tykhonov, A.] Univ Ljubljana, Ljubljana, Slovenia. [Adragna, P.; Bona, M.; Carter, A. A.; Cerrito, L.; Eisenhandler, E.; Ellis, K.; Landon, M. P. J.; Lloyd, S. L.; Morin, J.; Morris, J. D.; Piccaro, E.; Poll, J.; Rizvi, E.; Salamanna, G.; Stevenson, K.; Castanheira, M. Teixeira Dias; Traynor, D.; Wiglesworth, C.] Queen Mary Univ London, Dept Phys, London, England. [Alam, M. A.; Berry, T.; Boisvert, V.; Boorman, G.; Cooper-Smith, N. J.; Cowan, G.; Edwards, C. A.; George, S.; Goncalo, R.; Hayden, D.; Misiejuk, A.; Rose, M.; Strong, J. A.; Teixeira-Dias, R.] Royal Holloway Univ London, Dept Phys, Surrey, England. [Baker, S.; Bernat, P.; Bieniek, S. P.; Boeser, S.; Butterworth, J. M.; Byatt, T.; Campanelli, M.; Christidi, I. A.; Cooper, B. D.; Davison, A. R.; Dean, S.; Jansen, E.; Jones, T. W.; Konstantinidis, N.; Monk, J.; Nash, M.; Nurse, E.; Prabhu, R.; Richards, A.; Robinson, J. E. M.; Sherwood, P.; Simmons, B.; Taylor, C.; Waugh, B. M.; Wijeratne, P. A.] UCL, Dept Phys & Astron, London, England. [Beau, T.; Bordoni, S.; Calderini, G.; Cavalleri, P.; Chareyre, E.; De Cecco, S.; Derue, F.; Imbault, D.; Krasny, M. W.; Kuna, M.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lellouch, J.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Ridel, M.; Roos, L.; Schwemling, Ph; Theveneaux-Pelzer, T.; Trincaz-Duvoid, S.; Trinh, T. N.; Vannucci, F.; Yuan, L.] UPMC, Lab Phys Nucl & Hautes Energies, Paris, France. [Beau, T.; Bordoni, S.; Calderini, G.; Cavalleri, P.; Chareyre, E.; De Cecco, S.; Derue, F.; Imbault, D.; Krasny, M. W.; Kuna, M.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lellouch, J.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Ridel, M.; Roos, L.; Schwemling, Ph; Theveneaux-Pelzer, T.; Trincaz-Duvoid, S.; Trinh, T. N.; Vannucci, F.; Yuan, L.] Univ Paris Diderot, Paris, France. [Beau, T.; Bordoni, S.; Calderini, G.; Cavalleri, P.; Chareyre, E.; De Cecco, S.; Derue, F.; Imbault, D.; Krasny, M. W.; Kuna, M.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lellouch, J.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Ridel, M.; Roos, L.; Schwemling, Ph; Theveneaux-Pelzer, T.; Trincaz-Duvoid, S.; Trinh, T. N.; Vannucci, F.; Yuan, L.] CNRS IN2P3, Paris, France. [Akesson, T. P. A.; Alonso, A.; Bocchetta, S. S.; Hedberg, V.; Jarlskog, G.; Lundberg, B.; Lytken, E.; Meirose, B.; Mjornmark, J. U.; Smirnova, O.] Lund Univ, Fysiska Inst, Lund, Sweden. [Barreiro, F.; Cantero, J.; De la Torre, H.; Del Peso, J.; Glasman, C.; Labarga, L.; Lagouri, T.; Llorente Merino, J.; March, L.; Nebot, E.; Rodier, S.; Terron, J.] Univ Autonoma Madrid, Dept Fis Teor C 15, Madrid, Spain. [Aharrouche, M.; Arnaez, O.; Bendel, M.; Blum, W.; Buecher, V.; Eckweiler, S.; Edmonds, K.; Ellinghaus, F.; Ertel, E.; Fiedler, F.; Fleckner, J.; Goeringer, C.; Handel, C.; Hohlfeld, M.; Ji, W.; Kawamura, G.; Kleinknecht, K.; Koenig, S.; Koepke, L.; Lungwitz, M.; Masetti, L.; Meyer, C.; Moreno, D.; Neusiedl, A.; Rieke, S.; Sander, H. G.; Schaefer, U.; Schmitt, C.; Schroeder, C.; Siragusa, G.; Tapprogge, S.; Anh, T. Vu] Johannes Gutenberg Univ Mainz, Inst Phys, D-6500 Mainz, Germany. [Almond, J.; Brown, G.; Chavda, V.; Cox, B. E.; Da Via, C.; Duerdoth, I. P.; Forti, A.; Foster, J. M.; Howarth, J.; Hughes-Jones, R. E.; Ibbotson, M.; Jones, G. K.; Keates, J. R.; Kelly, M.; Kolya, S. D.; Lane, J. L.; Loebinger, F. K.; Marshall, R.; Martyniuk, A. C.; Marx, M.; Masik, J.; Miyagawa, P. S.; Oh, A.; Owen, M.; Pater, J. R.; Pilkington, A. D.; Plano, W. G.; Schwanenberger, C.; Snow, S. W.; Watts, S.; Yang, U. K.] Univ Manchester, Sch Phys & Astron, Manchester, Lancs, England. [Aoun, S.; Arfaoui, S.; Bee, C. P.; Benchouk, C.; Bernardet, K.; Bousson, N.; Clemens, J. C.; Coadou, Y.; Delpierre, P.; Djama, F.; Etienne, F.; Feligioni, L.; Henry-Couannier, F.; Hoffmann, D.; Hubaut, F.; Knoops, E. B. F. G.; Le Guirriec, E.; Li, B.; Li, S.; Monnier, E.; Odier, J.; Petit, E.; Pralavorio, P.; Qian, Z.; Rozanov, A.; Talby, M.; Tannoury, N.; Tisserant, S.; Toth, J.; Touchard, F.; Vacavant, L.] Aix Marseille Univ, CPPM, Marseille, France. [Aoun, S.; Arfaoui, S.; Bee, C. P.; Benchouk, C.; Bernardet, K.; Bousson, N.; Clemens, J. C.; Coadou, Y.; Delpierre, P.; Djama, F.; Etienne, F.; Feligioni, L.; Henry-Couannier, F.; Hoffmann, D.; Hubaut, F.; Knoops, E. B. F. G.; Le Guirriec, E.; Li, B.; Li, S.; Monnier, E.; Odier, J.; Petit, E.; Pralavorio, P.; Qian, Z.; Rozanov, A.; Talby, M.; Tannoury, N.; Tisserant, S.; Toth, J.; Touchard, F.; Vacavant, L.] CNRS IN2P3, Marseille, France. [Brau, B.; Colon, G.; Dallapiccola, C.; Meade, A.; Moyse, E. J. W.; Thompson, E. N.; van Eldik, N.; Willocq, S.; Woudstra, M. J.] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. [Chapleau, B.; Cheatham, S.; Corriveau, F.; Dobbs, M.; Dufour, M. -A.; Guler, H.; Klemetti, M.; Robertson, S. H.; Rios, C. Santamarina; Schram, M.; Vachon, B.; Warburton, A.] McGill Univ, Dept Phys, Montreal, PQ, Canada. [Barberio, E. L.; Davey, W.; Davidson, N.; Felzmann, C. U.; Kubota, T.; Limosani, A.; Moorhead, G. F.; Hanninger, G. Nunes; Phan, A.; Sevior, M. E.; Taylor, G. N.; White, M. J.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Armbruster, A. J.; Chapman, J. W.; Cirilli, M.; Dai, T.; Diehl, E. B.; Ebke, J.; Eppig, A.; Ferretti, C.; Goldfarb, S.; Harper, D.; Levin, D.; Li, X.; Liu, H.; Liu, J. B.; Mc Kee, S. P.; Neal, H. A.; Panikashvili, N.; Purdham, J.; Qian, J.; Scheirich, D.; Thun, R. P.; Walch, S.; Wilson, A.; Wu, Y.; Yang, H.; Zhou, B.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Abolins, M.; Arabidze, G.; Brock, R.; Bromberg, C.; Caughron, S.; Di Mattia, A.; Fedorko, W.; Hauser, R.; Heim, S.; Holzbauer, J. L.; Huston, J.; Koll, J. J.; Kraus, J. I.; Linnemann, J. T.; Mangeard, P. S.; Martin, B.; Miller, R. J.; Pope, B. G.; Ryan, P.; Schwienhorst, R.; Tollefson, K.; Zhang, H.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Alessandria, F.; Alimonti, G.; Baccaglioni, G.; Battistoni, G.; Besana, M. I.; Broggi, F.; Carminati, L.; Cavalli, D.; Costa, G.; Dell'Asta, L.; Giugni, D.; Koletsou, I.; Lari, T.; Lazzaro, A.; Mandelli, L.; Mazzanti, M.; Meroni, C.; Montesano, S.; Perini, L.; Pizio, C.; Ragusa, F.; Resconi, S.; Rivoltella, G.; Rossi, L.; Sorbi, M.; Tartarelli, G. F.; Troncon, C.; Turra, R.; Vegni, G.; Volpini, G.] INFN Sez Milano, Milan, Italy. [Alessandria, F.; Alimonti, G.; Baccaglioni, G.; Battistoni, G.; Besana, M. I.; Broggi, F.; Carminati, L.; Cavalli, D.; Costa, G.; Dell'Asta, L.; Giugni, D.; Koletsou, I.; Lari, T.; Lazzaro, A.; Mandelli, L.; Mazzanti, M.; Meroni, C.; Montesano, S.; Perini, L.; Pizio, C.; Ragusa, F.; Resconi, S.; Rivoltella, G.; Rossi, L.; Sorbi, M.; Tartarelli, G. F.; Troncon, C.; Turra, R.; Vegni, G.; Volpini, G.] Univ Milan, Dipartimento Fis, Milan, Italy. [Bogouch, A.; Harkusha, S.; Kulchitsky, Y.; Kurochkin, Y. A.; Satsounkevitch, I.; Tsiareshka, P. V.] Natl Acad Sci Belarus, BI Stepanov Inst Phys, Minsk, Byelarus. [Gilewsky, V.; Kuzhir, P.; Rumiantsev, V.; Starovoitov, P.; Yanush, S.] Natl Sci & Educ Ctr Particle & High Energy Phys, Minsk, Byelarus. [Taylor, F. E.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Azuelos, G.; Banerjee, P.; Bouchami, J.; Davies, M.; Ferland, J.; Guler, H.; Gutierrez, A.; Lebel, C.; Leroy, C.; Goia, J. A. Macana; Martin, J. P.; Mehdiyev, R.; Scallon, O.] Univ Montreal, Grp Particle Phys, Montreal, PQ, Canada. [Akimov, A. V.; Baranov, S. P.; Gavrilenko, I. L.; Komar, A. A.; Mashinistov, R.; Mouraviev, S. V.; Nechaeva, P. Yu.; Shmeleva, A.; Snesarev, A. A.; Sulin, V. V.; Tikhomirov, V. O.] Acad Sci, PN Lebedev Phys Inst, Moscow, Russia. [Artamonov, A.; Gorbounov, P. A.; Khovanskiy, V.; Shatalov, P. B.; Tsukerman, I. I.] Inst Theoret & Expt Phys, Moscow 117259, Russia. [Antonov, A.; Belotskiy, K.; Bondarenko, V. G.; Bulekov, O.; Dolgoshein, B. A.; Kantserov, V. A.; Morozov, S. V.; Romaniouk, A.; Smirnov, S. Yu; Soldatov, E.] Moscow Engn & Phys Inst, Moscow, Russia. [Gladilin, L. K.; Grishkevich, Y. V.; Kramarenko, V. A.; Rud, V. I.; Sivoklokov, S. Yu; Smirnova, L. N.] Lomonosov Moscow State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Adomeit, S.; Biebel, O.; Calfayan, P.; de Graat, J.; Deile, M.; Duckeck, G.; Elmsheuser, J.; Engl, A.; Galea, C.; Genest, M. H.; Hertenberger, R.; Kennedy, J.; Kummer, C.; Legger, F.; Lichtnecker, M.; Mameghani, R.; Mueller, T. A.; Nunnemann, T.; Rauscher, F.; Reznicek, P.; Ruckert, B.; Sanders, M. P.; Schaile, D.; Schieck, J.; Serfon, C.; Staude, A.; Walker, R.; Zhuang, X.] Univ Munich, Fak Phys, Munich, Germany. [Aderholz, M.; Barillari, T.; Beimforde, M.; Bethke, S.; Capriotti, D.; Cortiana, G.; Dannheim, D.; Dubbert, J.; Ehrich, T.; Flowerdew, M. J.; Giovannini, R.; Goettfert, T.; Groh, M.; Haefner, P.; Hauff, D.; Jantsch, A.; Kaiser, S.; Kiryunin, A. E.; Kluth, S.; Kortner, O.; Kortner, S.; Kotov, S.; Kroha, H.; Lutz, G.; Macchiolo, A.; Manz, A.; Menke, S.; Mohrdieck-Moeck, S.; Moser, H. G.; Nisius, R.; Oberlack, H.; Pospelov, G. E.; Potrap, I. N.; Rauter, E.; Richter, R.; Salihagic, D.; Sandstroem, R.; Schacht, P.; Seuster, R.; Stonjek, S.; von der Schmitt, H.; von Loeben, J.; Weigell, P.; Zhuravlov, V.] Werner Heisenberg Inst, Max Planck Inst Phys, Munich, Germany. [Shimojima, M.; Tanaka, Y.] Nagasaki Inst Appl Sci, Nagasaki, Japan. [Hasegawa, S.; Itoh, Y.; Morvaj, L.; Ohshima, T.; Okumura, Y.; Shichi, H.; Sugimoto, T.; Takahashi, Y.; Tomoto, M.; Wakabayashi, J.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648601, Japan. [Aloisio, A.; Alviggi, M. G.; Canale, V.; Capasso, L.; Carlino, G.; Cevenini, F.; Chiefari, G.; Conventi, F.; de Asmundis, R.; Della Pietra, M.; della Volpe, D.; Doriaa, A.; Giordano, R.; Iengo, P.; Izzo, V.; Merola, L.; Musto, E.; Patricelli, S.; Rossi, E.; Sanchez, A.; Sekhniaidze, G.] INFN Sez Napoli, Naples, Italy. [Aloisio, A.; Alviggi, M. G.; Canale, V.; Capasso, L.; Cevenini, F.; Chiefari, G.; della Volpe, D.; Giordano, R.; Iengo, P.; Merola, L.; Musto, E.; Patricelli, S.; Rossi, E.; Sanchez, A.] Univ Naples Federico II, Dipartimento Sci Fisiche, Naples, Italy. [Gorelov, I.; Hoeferkamp, M. R.; Metcalfe, J.; Seidel, S. C.; Toms, K.; Wang, R.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Chelstowska, M. A.; Consonni, M.; De Groot, N.; Filthaut, F.; Klok, P. F.; Konig, A. C.; Koetsveld, F.; Raas, M.; Salvucci, A.; Timmermans, C. J. W. P.] Radborld Univ Nijmegen Nikhef, Inst Math Astrophys & Particle Phys, Nijmegen, Netherlands. [Bentvelsen, S.; Bobbink, G. J.; Bos, K.; Boterenbrood, H.; Colijn, A. P.; Daum, C.; de Jong, R.; De Nooij, L.; Doxiadis, A. D.; Ferrari, P.; Garitaonandia, H.; Geerts, D. A. A.; Gosselink, M.; Hartjes, F.; Hessey, N. P.; Igonkina, O.; Kayl, M. S.; Klous, S.; Kluit, P.; Koffeman, E.; Koutsman, A.; Lee, H.; Linde, F.; Luijckx, G.; Massaro, G.; Mechnich, J.; Muijs, A.; Mussche, I.; Ottersbach, J. P.; Peters, O.; Reichold, A.; Rijpstra, M.; Ruckstuhl, N.; Snuverink, J.; Ta, D.; Tsiakiris, M.; Turlay, E.; van der Graaf, H.; van der Kraaij, E.; Van der Leeuw, R.; van der Poel, E.; Van Eijk, B.; van Kesteren, Z.; van Vulpen, I.; Verkerke, W.; Vermeulen, J. C.; Vreeswijk, M.] Nikhef Natl Inst Subat Phys, Amsterdam, Netherlands. [Bentvelsen, S.; Bobbink, G. J.; Bos, K.; Boterenbrood, H.; Colijn, A. P.; Daum, C.; de Jong, R.; De Nooij, L.; Doxiadis, A. D.; Ferrari, P.; Garitaonandia, H.; Geerts, D. A. A.; Gosselink, M.; Hartjes, F.; Hessey, N. P.; Igonkina, O.; Kayl, M. S.; Klous, S.; Kluit, P.; Koffeman, E.; Koutsman, A.; Lee, H.; Linde, F.; Luijckx, G.; Massaro, G.; Mechnich, J.; Muijs, A.; Mussche, I.; Ottersbach, J. P.; Peters, O.; Reichold, A.; Rijpstra, M.; Ruckstuhl, N.; Snuverink, J.; Ta, D.; Tsiakiris, M.; Turlay, E.; van der Graaf, H.; van der Kraaij, E.; Van der Leeuw, R.; van der Poel, E.; Van Eijk, B.; van Kesteren, Z.; van Vulpen, I.; Verkerke, W.; Vermeulen, J. C.; Vreeswijk, M.] Univ Amsterdam, Amsterdam, Netherlands. [Calkins, R.; Chakraborty, D.; de Lima, J. G. Rocha; Suhr, C.; Zutshi, V.] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Beloborodova, O.; Bobrovnikov, V. B.; Bogdanchikov, A.; Kazanin, V. A.; Kolachev, G. M.; Korol, A.; Malyshev, V.; Maslennikov, A. L.; Maximov, D. A.; Orlov, I.; Peleganchuk, S. V.; Schamov, A. G.; Skovpen, K.; Soukharev, A.; Talyshev, A.; Tikhonov, Y. A.; Zaytsev, A.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Budick, B.; Casadei, D.; Cranmer, K.; van Huysduynen, L. Hooft; Konoplich, R.; Krasznahorkay, A.; Lewis, G. H.; Mincer, A. I.; Nemethy, P.; Neves, R. M.; Prokofiev, K.; Shibata, A.; Zhao, L.] NYU, Dept Phys, New York, NY 10003 USA. [Fernando, W.; Fisher, M. J.; Gan, K. K.; Kagan, H.; Kass, R. D.; Moss, J.; Rahimi, A. M.; Strang, M.] Ohio State Univ, Columbus, OH 43210 USA. [Nakano, I.] Okayama Univ, Fac Sci, Okayama 700, Japan. [Abbott, B.; Gutierrez, P.; Huang, G. S.; Jana, D. K.; Marzin, A.; Meera-Lebbai, R.; Saleem, M.; Severini, H.; Skubic, P.; Snow, J.; Strauss, M.] Univ Oklahoma, Homer L Dodge Dept Phys & Astron, Norman, OK 73019 USA. [Abi, B.; Khanov, A.; Rizatdinova, F.] Oklahoma State Univ, Dept Phys, Stillwater, OK 74078 USA. [Hamal, P.; Kocnar, A.; Nozka, L.] Palacky Univ, RCPTM, CR-77147 Olomouc, Czech Republic. [Brau, J. E.; Potter, C. T.; Ptacek, E.; Reinsch, A.; Robinson, M.; Searcy, J.; Shamim, M.; Sinev, N. B.; Strom, D. M.; Torrence, E.] Univ Oregon, Ctr High Energy Phys, Eugene, OR 97403 USA. [Abreu, H.; Andari, N.; Arnault, C.; Auge, E.; Barrillon, R.; Benoit, M.; Binet, S.; Blanchard, J. -B.; Bourdarios, C.; Breton, D.; Collard, C.; De la Taille, C.; De Regie, J. B. De Vivie; Diglio, S.; Duflot, L.; Escalier, M.; Falou, A. C.; Fayard, L.; Fournier, D.; Grivaz, J. -F.; Heller, M.; Henrot-Versille, S.; Hrivnac, J.; Iconomidou-Fayard, L.; Idarraga, J.; Kado, M.; Lounis, A.; Makovec, N.; Matricon, P.; Niedercorn, F.; Poggioli, L.; Puzo, P.; Renaud, A.; Rousseau, D.; Ruan, X.; Rybkin, G.; Sauvan, J. B.; Schaarschmidt, J.; Schaffer, A. C.; Serin, L.; Simion, S.; Tanaka, R.; Veillet, J. J.; Vukotic, I.; Wicek, F.; Zerwas, D.; Zhang, Z.] Univ Paris 11, LAL, Orsay, France. [Abreu, H.; Andari, N.; Arnault, C.; Auge, E.; Barrillon, R.; Benoit, M.; Binet, S.; Blanchard, J. -B.; Bourdarios, C.; Breton, D.; Collard, C.; De la Taille, C.; De Regie, J. B. De Vivie; Diglio, S.; Duflot, L.; Escalier, M.; Falou, A. C.; Fayard, L.; Fournier, D.; Grivaz, J. -F.; Heller, M.; Henrot-Versille, S.; Hrivnac, J.; Iconomidou-Fayard, L.; Idarraga, J.; Kado, M.; Lounis, A.; Makovec, N.; Matricon, P.; Niedercorn, F.; Poggioli, L.; Puzo, P.; Renaud, A.; Rousseau, D.; Ruan, X.; Rybkin, G.; Sauvan, J. B.; Schaarschmidt, J.; Schaffer, A. C.; Serin, L.; Simion, S.; Tanaka, R.; Veillet, J. J.; Vukotic, I.; Wicek, F.; Zerwas, D.; Zhang, Z.] CNRS IN2P3, Orsay, France. [Hanagaki, K.; Hirose, M.; Meguro, T.; Nomachi, M.; Sugaya, Y.] Osaka Univ, Grad Sch Sci, Osaka, Japan. [Bugge, L.; Buran, T.; Cameron, D.; Czyczula, Z.; Gjelsten, B. K.; Lund, E.; Ould-Saada, F.; Pajchel, K.; Pylypchenko, Y.; Read, A. L.; Rohne, O.; Samset, B. H.; Stapnes, S.; Strandlie, A.; Taga, A.] Univ Oslo, Dept Phys, Oslo, Norway. [Abdesselam, A.; Apolle, R.; Barr, A. J.; Beauchemin, P. H.; Boddy, C. R.; Buchanan, J.; Buckingham, R. M.; Buira-Clark, D.; Coe, P.; Coniavitis, E.; Cooper-Sarkar, A. M.; Davies, E.; Dehchar, M.; Doglioni, C.; Farrington, S. M.; Gallas, E. J.; Gilbert, L. M.; Gwenlan, C.; Hawes, B. M.; Holmes, A.; Horton, K.; Howell, D. F.; Huffman, T. B.; Issever, C.; Karagoz, M.; King, R. S. B.; Kirsch, G. P.; Kundu, N.; Larner, A.; Lau, W.; Lavorato, A.; Lewis, A.; Liang, Z.; Livermore, S. S. A.; Loken, J.; Mattravers, C.; Mermod, P.; Nickerson, R. B.; Pinder, A.; Ryder, N. C.; Short, D.; Tseng, J. C. -L.; Viehhauser, G. H. A.; Weidberg, A. R.; Whitehead, S. R.; Wooden, G.] Univ Oxford, Dept Phys, Oxford, England. [Bellomo, M.; Cambiaghi, M.; Conta, C.; Ferrari, R.; Franchino, S.; Fraternali, M.; Gaudio, G.; Livan, M.; Negri, A.; Polesello, G.; Rebuzzi, D. M.; Rimoldi, A.; Uslenghi, M.; Vercesi, V.] INFN Sez Pavia, Pavia, Italy. [Cambiaghi, M.; Conta, C.; Franchino, S.; Fraternali, M.; Livan, M.; Negri, A.; Rebuzzi, D. M.; Rimoldi, A.; Uslenghi, M.] Univ Pavia, Dipartimento Fis Nucl & Teor, I-27100 Pavia, Italy. [Alison, J.; Degenhardt, J.; Donega, M.; Dressnandt, N.; Fratina, S.; Hance, M.; Hines, E.; Hong, T. M.; Jackson, B.; Kroll, J.; Kunkle, J.; LeGeyt, B. C.; Lipeles, E.; Martin, F. F.; Olivito, D.; Ospanov, R.; Reece, R.; Stahlman, J.; Thomson, E.; Wagner, R.; Williams, H. H.] Univ Penn, Dept Phys, Philadelphia, PA 19104 USA. [Fedin, O. L.; Gratchev, V.; Grebenyuk, O. G.; Maleev, V. P.; Nesterov, S. Y.; Ryabov, Y. F.; Schegelsky, V. A.; Sedykh, E.; Seliverstov, D. M.; Zalite, Yo K.] Petersburg Nucl Phys Inst, Gatchina, Russia. [Bertolucci, F.; Cascella, M.; Cavasinni, V.; Crescioli, F.; Del Prete, T.; Dotti, A.; Francavilla, P.; Giangiobbe, V.; Lupi, A.; Mazzoni, E.; Roda, C.; Sarri, F.; Zenonos, Z.] INFN Sez Pisa, Pisa, Italy. [Bertolucci, F.; Cascella, M.; Cavasinni, V.; Crescioli, F.; Del Prete, T.; Dotti, A.; Francavilla, P.; Giangiobbe, V.; Lupi, A.; Mazzoni, E.; Roda, C.; Sarri, F.; Zenonos, Z.] Univ Pisa, Dipartimento Fis E Fermi, Pisa, Italy. [Boudreau, J.; Boulahouache, C.; Cleland, W.; Kittelmann, T.; Mueller, J.; Paolone, V.; Prieur, D.; Savinov, V.; Wendler, S.; Yoosoofmiya, R.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Aguilar-Saavedra, J. A.; Amorim, A.; Anjos, N.; Carvalho, J.; Castro, N. F.; Conde Muino, P.; Do Valle Wemans, A.; Fiolhais, M. C. N.; Gomes, A.; Jorge, P. M.; Lopes, L.; Machado Miguens, J.; Magalhaes Martins, P. J.; Maio, A.; Maneira, J.; Morais, A.; Oliveira, M.; Onofre, A.; Palma, A.; Pina, J.; Pinto, B.; Santos, H.; Saraiva, J. G.; Silva, J.; Soares, M.; Veloso, F.; Wolters, H.] Lab Instrumentacao & Fis Expt Particulas LIP, Lisbon, Portugal. [Aguilar-Saavedra, J. A.] Univ Granada, Dept Fis Teor & Cosmos, Granada, Spain. [Aguilar-Saavedra, J. A.] Univ Granada, CAFPE, Granada, Spain. [Chudoba, J.; Gallus, P.; Gunther, J.; Hruska, I.; Juranek, V.; Kepka, O.; Kupco, A.; Kus, V.; Kvasnicka, O.; Lipinsky, L.; Lokajicek, M.; Marcisovsky, M.; Mikestikova, M.; Myska, M.; Nemecek, S.; Panuskova, M.; Ruzicka, P.; Schovancova, J.; Sicho, P.; Staroba, P.; Svatos, M.; Tasevsky, M.; Tic, T.; Valenta, J.; Vrba, V.] Acad Sci Czech Republic, Inst Phys, Prague, Czech Republic. [Davidek, T.; Dolejsi, J.; Dolezal, Z.; Drasal, Z.; Kodys, P.; Leitner, R.; Novakova, J.; Rybar, M.; Spousta, M.; Strachota, R.; Suk, M.; Sykora, T.; Tas, P.; Valkar, S.; Vorobel, V.; Wilhelm, I.] Charles Univ Prague, Fac Math & Phys, Prague, Czech Republic. [Augsten, K.; Holy, T.; Horazdovsky, T.; Hubacek, Z.; Jakubek, J.; Kohout, Z.; Kral, V.; Krejci, F.; Pospisil, S.; Simak, V.; Slavicek, T.; Smolek, K.; Sodomka, J.; Solar, M.; Solc, J.; Sopko, V.; Sopko, B.; Stekl, I.; Turecek, D.; Vacek, V.; Vlasak, M.; Vokac, R.] Czech Tech Univ, CR-16635 Prague, Czech Republic. [Ammosov, V. V.; Borisov, A.; Bozhko, N. I.; Denisov, S. P.; Fakhrutdinov, R. M.; Fenyuk, A. B.; Gapienko, V. A.; Golovnia, S. N.; Gorokhov, S. A.; Goryachev, V. N.; Gushchin, V. N.; Ivashin, A. V.; Kabachenko, V. V.; Karyukhin, A. N.; Kholodenko, A. G.; Kiver, A. M.; Kopikov, S. V.; Koreshev, V.; Korotkov, V. A.; Kozhin, A. S.; Larionov, A. V.; Levitski, M. S.; Minaenko, A. A.; Mitrofanov, G. Y.; Moisseev, A. M.; Myagkov, A. G.; Nikolaenko, V.; Pleskach, A. V.; Ryadovikov, V.; Solodkov, A. A.; Solovyanov, O. V.; Starchenko, E. A.; Sviridov, Yu M.; Vorobiev, A. P.; Zaets, V. G.; Zaitsev, A. M.; Zenin, A. V.; Zenin, O.; Zmouchko, V. V.] Inst High Energy Phys, State Res Ctr, Protvino, Russia. [Adye, T.; Baines, J. T.; Barnett, B. M.; Botterill, D.; Burke, S.; Clifft, R. W.; Dewhurst, A.; Emeliyanov, D.; Fisher, S. M.; Gallop, B. J.; Gee, C. N. P.; Gillman, A. R.; Greenfield, D.; Haywood, S. J.; Kirk, J.; Mattravers, C.; McCubbin, N. A.; McMahon, S. J.; Middleton, R. P.; Murray, W. J.; Nash, M.; Norton, P. R.; Phillips, P. W.; Sankey, D. P. C.; Scott, W. G.; Strube, J.; Tyndel, M.; Weber, M.; Wickens, F. J.; Wielers, M.] Rutherford Appleton Lab, Particle Phys Dept, Didcot OX11 0QX, Oxon, England. [Benslama, K.; Ju, X.; Ming, Y.; Smit, G. V. Ybeles] Univ Regina, Dept Phys, Regina, SK S4S 0A2, Canada. [Tanaka, S.] Ritsumeikan Univ, Kusatsu, Shiga, Japan. [Anulli, F.; Artoni, G.; Bagnaia, P.; Bini, C.; Borroni, S.; Caloi, R.; Ciapetti, G.; D'Orazio, A.; De Pedis, D.; De Salvo, A.; Dionisi, C.; Falciano, S.; Gentile, S.; Giagu, S.; Lacava, E.; Lo Sterzo, F.; Luci, C.; Luminari, L.; Maiani, C.; Marzano, F.; Mastrandrea, P.; Mirabelli, G.; Nisati, A.; Pasqualucci, E.; Petrolo, E.; Pontecorvo, L.; Rescigno, M.; Rosati, S.; Tehrani, F. Safai; Sidoti, A.; Camillocci, E. Solfaroli; Spila, F.; Valente, R.; Vari, R.; Veneziano, S.; Zanello, L.] INFN Sez Roma I, Rome, Italy. [Artoni, G.; Bagnaia, P.; Bini, C.; Borroni, S.; Caloi, R.; Ciapetti, G.; D'Orazio, A.; Dionisi, C.; Gentile, S.; Giagu, S.; Lacava, E.; Lo Sterzo, F.; Luci, C.; Maiani, C.; Mastrandrea, P.; Rosati, S.; Tehrani, F. Safai; Sidoti, A.; Camillocci, E. Solfaroli; Spila, F.; Zanello, L.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Aielli, G.; Camarri, P.; Cardarelli, R.; Cattani, G.; Di Ciaccio, A.; Di Nardo, R.; Di Simone, A.; Liberti, B.; Marchese, F.; Salamon, A.; Santonico, R.] INFN Sez Roma Tor Vergata, Rome, Italy. [Aielli, G.; Camarri, P.; Cattani, G.; Di Ciaccio, A.; Di Nardo, R.; Di Simone, A.; Marchese, F.; Santonico, R.] Univ Roma Tor Vergata, Dipartimento Fis, I-00173 Rome, Italy. [Bacci, C.; Baroncelli, A.; Biglietti, M.; Branchini, P.; Ceradini, F.; Di Luise, S.; Farilla, A.; Graziani, E.; Iodice, M.; Orestano, D.; Passeri, A.; Pastore, F.; Petrucci, F.; Ruggieri, F.; Spiriti, E.; Stanescu, C.] INFN Sez Roma Tre, Rome, Italy. [Bacci, C.; Biglietti, M.; Ceradini, F.; Di Luise, S.; Orestano, D.; Pastore, F.; Petrucci, F.; Ruggieri, F.] Univ Roma Tre, Dipartimento Fis, Rome, Italy. [Benchekroun, D.; Chafaq, A.; Gouighri, M.; Hoummada, A.; Lablak, S.] Univ Hassan 2, Fac Sci Ain Chock, Reseau Univ Phys Hautes Energies, Casablanca, Morocco. [Ghazlane, H.] Ctr Natl Energie Sci Tech Nucl, Rabat, Morocco. [El Kacimi, M.; Goujdami, D.] Univ Cadi Ayyad, Fac Sci Semlalia, Dept Phys, Marrakech 40000, Morocco. [Derkaoui, J. E.; Ouchrif, M.] Univ Mohamed Premier, Fac Sci, Oujda, Morocco. [Derkaoui, J. E.; Ouchrif, M.] LPTPM, Oujda, Morocco. [Cherkaoui El Moursli, R.] Univ Mohammed 5, Fac Sci, Rabat, Morocco. [Bachacou, H.; Bauer, F.; Besson, N.; Bolnet, N. M.; Boonekamp, M.; Chevalier, L.; Ernwein, J. J.; Etienvre, A. I.; Formica, A.; Gauthier, L.; Giraud, P. F.; Guyot, C.; Hassani, S.; Kozanecki, W.; Lancon, E.; Laporte, J. F.; Le Menedeu, E.; Legendre, M.; Mansoulie, B.; Meyer, J. -P.; Morange, N.; Mountricha, E.; Nicolaidou, R.; Ouraou, A.; Pomarede, D. M.; Resende, B.; Royon, C. R.; Schune, Ph; Schwindling, J.; Simard, O.; Virchaux, M.; Yu, J.] CEA Saclay Commissariat Energie Atom, DSM IRFU Inst Rech Lois Fondamentales Univers, Gif Sur Yvette, France. [Bangert, A.; Chouridou, S.; Damiani, D. S.; Dubbs, T.; Fowler, K.; Grillo, A. A.; Hare, G. A.; Litke, A. M.; Lockman, W. S.; Manning, P. M.; Mitrevski, J.; Nielsen, J.; Sadrozinski, H. F. -W.; Schumm, B. A.; Seiden, A.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Forbush, D. A.; Goussiou, A. G.; Griffiths, J.; Harris, O. M.; Kuykendall, W.; Lubatti, H. J.; Mockett, P.; Policicchio, A.; Rothberg, J.; Ventura, D.; Verducci, M.; Wang, J. C.; Watts, G.; Zhao, T.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Booth, C. N.; Costanzo, D.; Donszelmann, T. Cuhadar; Dawson, I.; Duxfield, R.; Hodgkinson, M. C.; Hodgson, P.; Johansson, P.; Korolkova, E. V.; Mayne, A.; Mcfayden, J. A.; Nicolas, L.; Owen, S.; Paganis, E.; Tovey, D. R.; Tua, A.; Xu, D.] Univ Sheffield, Dept Phys & Astron, Sheffield, S Yorkshire, England. [Hasegawa, Y.; Ohshita, H.; Takeshita, T.] Shinshu Univ, Dept Phys, Nagano, Japan. [Buchholz, P.; Czirr, H.; Fleck, I.; Gaur, B.; Grybel, K.; Holder, M.; Ibragimov, I.; Rammes, M.; Sipica, V.; Stahl, T.; Walkowiak, W.; Ziolkowski, M.] Univ Siegen, Fachbereich Phys, D-5900 Siegen, Germany. [Dawe, E.; Godfrey, J.; Komaragiri, J. R.; O'Neil, D. C.; Petteni, M.; Schouten, D.; Stelzer, B.; Trottier-McDonald, M.; Vetterli, M. C.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Aracena, I.; Barklow, T.; Bartoldus, R.; Bawa, H. S.; Butler, B.; Cogan, J. G.; Gao, Y. S.; Grenier, R.; Haas, A.; Hansson, P.; Horn, C.; Jackson, P.; Kenney, C. J.; Kim, P. C.; Kocian, M.; Koi, T.; Lowe, A. J.; Miller, D. W.; Mount, R.; Nelson, S.; Nelson, T. K.; Salnikov, A.; Schwartzman, A.; Silverstein, D.; Smith, D.; Strauss, E.; Su, D.; Wilson, M. G.; Wittgen, M.; Young, C.] SLAC Natl Accelerator Lab, Stanford, CA USA. [Batkova, L.; Blazek, T.; Federic, P.; Pecsy, M.; Stavina, P.; Sykora, I.; Tokar, S.; Zenis, T.] Comenius Univ, Fac Math Phys & Informat, Bratislava, Slovakia. [Antos, J.; Bruncko, D.; Ferencei, J.; Kladiva, E.; Seman, M.; Strizenec, P.] Slovak Acad Sci, Inst Expt Phys, Dept Subnucl Phys, Kosice 04353, Slovakia. [Aurousseau, M.] Univ Johannesburg, Dept Phys, Johannesburg, South Africa. [Leney, K. J. C.; Vickey, T.] Univ Witwatersrand, Sch Phys, Johannesburg, South Africa. [Asman, B.; Bohm, C.; Clement, C.; Eriksson, D.; Gellerstedt, K.; Hellman, S.; Hidvegi, A.; Holmgren, S. O.; Johansen, M.; Johansson, K. E.; Jon-And, K.; Lesser, J.; Lundberg, J.; Milstead, D. A.; Moa, T.; Nordkvist, B.; Ohm, C. C.; Papadelis, A.; Ramstedt, M.; Sellden, B.; Silverstein, S. B.; Sjolin, J.; Strandberg, S.; Tylmad, M.; Yang, Z.] Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden. [Asman, B.; Clement, C.; Gellerstedt, K.; Hellman, S.; Johansen, M.; Jon-And, K.; Lundberg, J.; Milstead, D. A.; Moa, T.; Nordkvist, B.; Ohm, C. C.; Ramstedt, M.; Sjolin, J.; Strandberg, S.; Tylmad, M.; Yang, Z.] Oskar Klein Ctr, Stockholm, Sweden. [Lund-Jensen, B.; Strandberg, J.] Royal Inst Technol, Dept Phys, S-10044 Stockholm, Sweden. [Abdesselam, A.; Ahmad, A.; Caputo, R.; Deluca, C.; Devetak, E.; DeWilde, B.; Engelmann, R.; Farley, J.; Goodson, J. J.; Grassi, V.; Gray, J. A.; Hobbs, J.; Jia, J.; McCarthy, R. L.; Mohapatra, S.; Rijssenbeek, M.; Schamberger, R. D.; Stupak, J.; Tsybychev, D.; Yurkewicz, A.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Bartsch, V.; De Santo, A.; Potter, C. J.; Salvatore, F.; Sutton, M. R.] Univ Sussex, Dept Phys & Astron, Brighton, E Sussex, England. [Lee, J. S. H.; Patel, N.; Saavedra, A. F.; Varvell, K. E.; Waugh, A. T.; Yabsley, B.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Lin, S. C.] Acad Sinica, Inst Phys, Acad Sinica Grid Comp, Taipei, Taiwan. [Harpaz, S. Behar; Ben Ami, S.; Bressler, S.; Hershenhorn, A. D.; Kajomovitz, E.; Landsman, H.; Lifshitz, R.; Rozen, Y.; Tarem, S.; Vallecorsa, S.] Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel. [Abramowicz, H.; Alexander, G.; Amram, N.; Bella, G.; Benary, O.; Benhammou, Y.; Brodet, E.; Etzion, E.; Gershon, A.; Ginzburg, J.; Guttman, N.; Hod, N.; Kreisel, A.; Mahalalel, Y.; Munwes, Y.; Oren, Y.; Reinherz-Aronis, E.; Sadeh, I.; Silver, Y.; Soffer, A.; Taiblum, N.; Urkovsky, E.] Tel Aviv Univ, Raymond & Beverly Sackler Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Iliadis, D.; Kordas, K.; Kouskoura, V.; Nomidis, I.; Petridis, A.; Petridou, C.; Sampsonidis, D.] Aristotle Univ Thessaloniki, Dept Phys, GR-54006 Thessaloniki, Greece. [Akimoto, G.; Asai, S.; Azuma, Y.; Dohmae, T.; Imori, M.; Kanaya, N.; Kataoka, Y.; Kawamoto, T.; Kessoku, K.; Kobayashi, T.; Mashimo, T.; Masubuchi, T.; Matsumoto, H.; Matsunaga, H.; Nakamura, K.; Ninomiya, Y.; Oda, S.; Okuyama, T.; Sakamoto, H.; Tanaka, J.; Terashi, K.; Ueda, I.; Yamamoto, S.; Yamamura, T.; Yamazaki, T.] Univ Tokyo, Int Ctr Elementary Particle Phys, Tokyo, Japan. [Akimoto, G.; Asai, S.; Azuma, Y.; Dohmae, T.; Imori, M.; Kanaya, N.; Kataoka, Y.; Kawamoto, T.; Kessoku, K.; Kobayashi, T.; Mashimo, T.; Masubuchi, T.; Matsumoto, H.; Matsunaga, H.; Nakamura, K.; Ninomiya, Y.; Oda, S.; Okuyama, T.; Sakamoto, H.; Tanaka, J.; Terashi, K.; Ueda, I.; Yamamoto, S.; Yamamura, T.; Yamazaki, T.] Univ Tokyo, Dept Phys, Tokyo 113, Japan. [Bratzler, U.; Fukunaga, C.] Tokyo Metropolitan Univ, Grad Sch Sci & Technol, Tokyo 158, Japan. [Jinnouchi, O.; Kanno, T.; Kuze, M.] Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. [Bailey, D. C.; Bain, T.; Beare, B.; Brelier, B.; Cheung, S. L.; Deviveiros, P. O.; Dhaliwal, S.; Farooque, T.; Fatholahzadeh, B.; Gibson, A.; Guo, B.; Jankowski, E.; Keung, J. J.; Krieger, P.; Le Maner, C.; Martens, F. K.; Orr, R. S.; Rezvani, R.; Rosenbaum, G. A.; Savard, P.; Sinervo, P.; Spreitzer, T.; Tardif, D.; Teuscher, R. J.; Thompson, P. D.; Trischuk, W.] Univ Toronto, Dept Phys, Toronto, ON, Canada. [Azuelos, G.; Canepa, A.; Caron, B.; Chekulaev, S. V.; Fortin, D.; Gingrich, D. M.; Losty, M. J.; Nugent, I. M.; Oakham, F. G.; Oram, C. J.; Savard, P.; Stelzer-Chilton, O.; Tafirout, R.; Trigger, I. M.; Vetterli, M. C.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Taylor, W.] York Univ, Dept Phys & Astron, Toronto, ON M3J 2R7, Canada. [Hara, K.; Kim, S. H.; Kurata, M.; Nagai, K.; Ukegawa, F.] Univ Tsukuba, Inst Pure & Appl Sci, Tsukuba, Ibaraki 305, Japan. [Hamilton, S.; Napier, A.; Rolli, S.; Sliwa, K.; Todorova-Nova, S.] Tufts Univ, Ctr Sci & Technol, Medford, MA 02155 USA. [Losada, M.; Loureiro, K. F.; Mendoza Navas, L.; Navarro, G.; Rodriguez, D.] Univ Antonio Narino, Ctr Invest, Bogota, Colombia. [Benedict, B. H.; Bold, T.; Ciobotaru, M. D.; Deng, J.; Dobson, M.; Eschrich, I. Gough; Grabowska-Bold, I.; Hawkins, D.; Lankford, A. J.; Okawa, H.; Porter, R.; Scannicchio, D. A.; Taffard, A.; Toggerson, B.; Unel, G.; Werth, M.; Wheeler-Ellis, S. J.; Whiteson, D.; Zhou, N.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA USA. [Acharya, B. S.; Cauz, D.; Cobal, M.; De Lotto, B.; De Sanctis, U.; Del Papa, C.; Pinamonti, M.; Shaw, K.; Suruliz, K.] INFN Grp Collegato Udine, Udine, Italy. [Acharya, B. S.; Suruliz, K.] Abdus Salaam Int Ctr Theoret Phys, Trieste, Italy. [Cauz, D.; Cobal, M.; De Lotto, B.; De Sanctis, U.; Del Papa, C.; Pinamonti, M.; Shaw, K.] Univ Udine, Dipartimento Fis, I-33100 Udine, Italy. [Benekos, N.; Coggeshall, J.; Cortes-Gonzalez, A.; Errede, D.; Errede, S.; Khandanyan, H.; Lie, K.; Liss, T. M.; McCarn, A.; Neubauer, M. S.; Vichou, I.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Belanger-Champagne, C.; Brenner, R.; Buszello, C. P.; Ekelof, T.; Ellert, M.; Ferrari, A.] Uppsala Univ, Dept Phys & Astron, Uppsala, Sweden. [Amoros, G.; Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Escobar, C.; Ferrer, A.; Fuster, J.; Garcia, C.; de la Hoz, S. Gonzalez; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; Marti-Garcia, S.; Minano, M.; Mitsou, V. A.; Moles-Valls, R.; Moreno Llacer, M.; Oliver Garcia, E.; Perez Garcia-Estan, M. T.; Ros, E.; Salt, J.; Solans, C. A.; Soldevila, U.; Sanchez, J.; Torro Pastor, E.; Valladolid Gallego, E.; Valls Ferrer, J. A.; Villaplana Perez, M.; Vos, M.; Wildauer, A.] Univ Valencia, Inst Fis Corpuscular IFIC, Valencia, Spain. [Amoros, G.; Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Escobar, C.; Ferrer, A.; Fuster, J.; Garcia, C.; de la Hoz, S. Gonzalez; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; Marti-Garcia, S.; Minano, M.; Mitsou, V. A.; Moles-Valls, R.; Moreno Llacer, M.; Oliver Garcia, E.; Perez Garcia-Estan, M. T.; Ros, E.; Salt, J.; Solans, C. A.; Soldevila, U.; Sanchez, J.; Torro Pastor, E.; Valladolid Gallego, E.; Valls Ferrer, J. A.; Villaplana Perez, M.; Vos, M.; Wildauer, A.] Univ Valencia, Dept Fis Atam Mol & Nucl, Valencia, Spain. [Amoros, G.; Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Escobar, C.; Ferrer, A.; Fuster, J.; Garcia, C.; de la Hoz, S. Gonzalez; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; Marti-Garcia, S.; Minano, M.; Mitsou, V. A.; Moles-Valls, R.; Moreno Llacer, M.; Oliver Garcia, E.; Perez Garcia-Estan, M. T.; Ros, E.; Salt, J.; Solans, C. A.; Soldevila, U.; Sanchez, J.; Torro Pastor, E.; Valladolid Gallego, E.; Valls Ferrer, J. A.; Villaplana Perez, M.; Vos, M.; Wildauer, A.] Univ Valencia, Dept Ingn Elect, Valencia, Spain. [Amoros, G.; Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Escobar, C.; Ferrer, A.; Fuster, J.; Garcia, C.; de la Hoz, S. Gonzalez; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; Marti-Garcia, S.; Minano, M.; Mitsou, V. A.; Moles-Valls, R.; Moreno Llacer, M.; Oliver Garcia, E.; Perez Garcia-Estan, M. T.; Ros, E.; Salt, J.; Solans, C. A.; Soldevila, U.; Sanchez, J.; Torro Pastor, E.; Valladolid Gallego, E.; Valls Ferrer, J. A.; Villaplana Perez, M.; Vos, M.; Wildauer, A.] Univ Valencia, Inst Microelect Barcelona IMB CNM, Valencia, Spain. [Amoros, G.; Cabrera Urban, S.; Castillo Gimenez, V.; Costa, M. J.; Escobar, C.; Ferrer, A.; Fuster, J.; Garcia, C.; de la Hoz, S. Gonzalez; Hernandez Jimenez, Y.; Higon-Rodriguez, E.; Irles Quiles, A.; Kaci, M.; Lacasta, C.; Lacuesta, V. R.; Marti-Garcia, S.; Minano, M.; Mitsou, V. A.; Moles-Valls, R.; Moreno Llacer, M.; Oliver Garcia, E.; Perez Garcia-Estan, M. T.; Ros, E.; Salt, J.; Solans, C. A.; Soldevila, U.; Sanchez, J.; Torro Pastor, E.; Valladolid Gallego, E.; Valls Ferrer, J. A.; Villaplana Perez, M.; Vos, M.; Wildauer, A.] CSIC, Valencia, Spain. [Axen, D.; Gay, C.; Loh, C. W.; Mills, W. J.; Muir, A.; Swedish, S.; Viel, S.] Univ British Columbia, Dept Phys, Vancouver, BC, Canada. [Astbury, A.; Bansal, V.; Berghaus, F.; Courneyea, L.; Fincke-Keeler, M.; Keeler, R.; Kowalewski, R.; Lefebvre, M.; Lessard, J. -R.; McPherson, R. A.; Plamondon, M.; Sobie, R.] Univ Victoria, Dept Phys & Astron, Victoria, BC, Canada. [Kimura, N.; Yorita, K.] Waseda Univ, Tokyo, Japan. [Alon, R.; Barak, L.; Duchovni, E.; Frank, T.; Gabizon, O.; Gross, E.; Groth-Jensen, J.; Klier, A.; Lellouch, D.; Levinson, L. J.; Mikenberg, G.; Milov, A.; Milstein, D.; Roth, I.; Silbert, O.; Smakhtin, V.; Vitells, O.] Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. [Asfandiyarov, R.; Banerjee, Sw; Montoya, G. D. Carrillo; Hernandez, A. M. Castaneda; Castaneda-Miranda, E.; Chen, X.; Dos Anjos, A.; Fang, Y.; Castillo, L. R. Flores; Gonzalez, S.; Gutzwiller, O.; Ji, H.; Kashif, L.; La Rosa, A.; Cheong, A. Leung Fook; Li, H.; Ma, L. L.; Garcia, B. R. Mellado; Pan, Y. B.; Pataraia, S.; Morales, M. I. Pedraza; Peng, H.; Poveda, J.; Quayle, W. B.; Sarangi, T.; Wang, H.; Wiedenmann, W.; Wu, S. L.; Zhu, Y.; Zobernig, G.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Fleischmann, P.; Meyer, J.; Redelbach, A.; Stroehmer, R.; Trefzger, T.] Julius Maxmilians Univ, Fak Phys & Astron, Wurzburg, Germany. [Barisonzi, M.; Becks, K. H.; Boek, J.; Braun, H. M.; Drees, J.; Fleischmann, S.; Flick, T.; Gerlach, P.; Glitza, K. W.; Gorfine, G.; Grah, C.; Hamacher, K.; Harenberg, T.; Henss, T.; Hirschbuehl, D.; Imhaeuser, M.; Kalinin, S.; Kersten, S.; Khoroshilov, A.; Kootz, A.; Kuhl, T.; Lenz, T.; Lenzen, G.; Maettig, P.; Mechtel, M.; Sandhoff, M.; Sandvoss, S.; Sartisohn, G.; Schultes, J.; Siebel, A.; Sturm, R.; Thadome, J.; Voss, T. T.; Wagner, W.; Wahlen, H.; Wicke, D.; Zeitnitz, C.] Berg Univ Wuppertal, Fachbereich Phys C, Wuppertal, Germany. [Adelman, J.; Atoian, G.; Auerbach, B.; Baker, O. K.; Bedikian, S.; Almenar, C. Cuenca; Demers, S.; Garberson, F.; Golling, T.; Guest, D.; Hsu, P. J.; Kaplan, B.; Lee, L.; Lockwitz, S.; Loginov, A.; Martin, A. J.; Sherman, D.; Thioye, M.; Tipton, R.; Wall, R.; Zeller, M.] Yale Univ, Dept Phys, New Haven, CT USA. [Grabski, V.; Hakobyan, H.] Yerevan Phys Inst, Yerevan 375036, Armenia. [Biscarat, C.; Cogneras, E.; Rahal, G.] Ctr Calcul CNRS IN2P3, Domaine Sci Doua, Villeurbanne, France. [Amorim, A.; Jorge, P. 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[Liu, D.; Meng, Z.] CALTECH, Pasadena, CA 91125 USA. [Onofre, A.] Univ Minho, Dept Fis, Braga, Portugal. [Park, W.; Trivedi, A.] Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. [Pasztor, G.; Toth, J.] KFKI Res Inst Particle & Nucl Phys, Budapest, Hungary. Jagiellonian Univ, Inst Phys, Krakow, Poland. RP Aad, G (reprint author), Univ Freiburg, Fak Math & Phys, Hugstetter Str 55, D-79106 Freiburg, Germany. RI Grancagnolo, Francesco/K-2857-2015; Korol, Aleksandr/A-6244-2014; Karyukhin, Andrey/J-3904-2014; Capua, Marcella/A-8549-2015; Tartarelli, Giuseppe Francesco/A-5629-2016; BESSON, NATHALIE/L-6250-2015; Mora Herrera, Maria Clemencia/L-3893-2016; Maneira, Jose/D-8486-2011; Morone, Maria Cristina/P-4407-2016; Goncalo, Ricardo/M-3153-2016; Idzik, Marek/A-2487-2017; Mashinistov, Ruslan/M-8356-2015; Solodkov, Alexander/B-8623-2017; Zaitsev, Alexandre/B-8989-2017; Yang, Haijun/O-1055-2015; Monzani, Simone/D-6328-2017; Carvalho, Joao/M-4060-2013; Booth, Christopher/B-5263-2016; Gonzalez de la Hoz, Santiago/E-2494-2016; Guo, Jun/O-5202-2015; Smirnova, Oxana/A-4401-2013; Aguilar Saavedra, Juan Antonio/F-1256-2016; Pacheco Pages, Andres/C-5353-2011; Leyton, Michael/G-2214-2016; Jones, Roger/H-5578-2011; Vranjes Milosavljevic, Marija/F-9847-2016; SULIN, VLADIMIR/N-2793-2015; Olshevskiy, Alexander/I-1580-2016; la rotonda, laura/B-4028-2016; Perrino, Roberto/B-4633-2010; Smirnov, Sergei/F-1014-2011; Doyle, Anthony/C-5889-2009; Ferrando, James/A-9192-2012; Li, Xuefei/C-3861-2012; Buttar, Craig/D-3706-2011; Robson, Aidan/G-1087-2011; Takai, Helio/C-3301-2012; St.Denis, Richard/C-8997-2012; Britton, David/F-2602-2010; Fazio, Salvatore /G-5156-2010; Smirnova, Lidia/D-8089-2012; Sivoklokov, Sergey/D-8150-2012; Gladilin, Leonid/B-5226-2011; Barreiro, Fernando/D-9808-2012; Kramarenko, Victor/E-1781-2012; Alexa, Calin/F-6345-2010; Gutierrez, Phillip/C-1161-2011; Moorhead, Gareth/B-6634-2009; Petrucci, Fabrizio/G-8348-2012; Wemans, Andre/A-6738-2012; Fabbri, Laura/H-3442-2012; Kurashige, Hisaya/H-4916-2012; Kuzhir, Polina/H-8653-2012; Delmastro, Marco/I-5599-2012; Weigell, Philipp/I-9356-2012; Veneziano, Stefano/J-1610-2012; Di Micco, Biagio/J-1755-2012; Giordano, Raffaele/J-3695-2012; Di Nardo, Roberto/J-4993-2012; Della Pietra, Massimo/J-5008-2012; Andreazza, Attilio/E-5642-2011; Rotaru, Marina/A-3097-2011; Wolter, Marcin/A-7412-2012; Bergeaas Kuutmann, Elin/A-5204-2013; Cascella, Michele/B-6156-2013; M, Saleem/B-9137-2013; messina, andrea/C-2753-2013; de Groot, Nicolo/A-2675-2009; Orlov, Ilya/E-6611-2012; Annovi, Alberto/G-6028-2012; Stoicea, Gabriel/B-6717-2011; Brooks, William/C-8636-2013; Pina, Joao /C-4391-2012; Mehdiyev, Rashid/H-6299-2013; Vanyashin, Aleksandr/H-7796-2013; Casadei, Diego/I-1785-2013; La Rosa, Alessandro/I-1856-2013; Ishikawa, Akimasa/G-6916-2012; Moraes, Arthur/F-6478-2010; Conde Muino, Patricia/F-7696-2011; Boyko, Igor/J-3659-2013; Kuleshov, Sergey/D-9940-2013; Anjos, Nuno/I-3918-2013; Kartvelishvili, Vakhtang/K-2312-2013; Dawson, Ian/K-6090-2013; Solfaroli Camillocci, Elena/J-1596-2012; Marti-Garcia, Salvador/F-3085-2011; Castro, Nuno/D-5260-2011; Wolters, Helmut/M-4154-2013; Warburton, Andreas/N-8028-2013; De, Kaushik/N-1953-2013; Sukharev, Andrey/A-6470-2014; O'Shea, Val/G-1279-2010; Lee, Jason/B-9701-2014; Morozov, Sergey/C-1396-2014; Villa, Mauro/C-9883-2009; Nemecek, Stanislav/G-5931-2014; Lokajicek, Milos/G-7800-2014; Staroba, Pavel/G-8850-2014; Kupco, Alexander/G-9713-2014; Mikestikova, Marcela/H-1996-2014; Snesarev, Andrey/H-5090-2013; Svatos, Michal/G-8437-2014; Chudoba, Jiri/G-7737-2014; Peleganchuk, Sergey/J-6722-2014; Cavalli-Sforza, Matteo/H-7102-2015; Ferrer, Antonio/H-2942-2015; Prokoshin, Fedor/E-2795-2012; Hansen, John/B-9058-2015; Grancagnolo, Sergio/J-3957-2015; spagnolo, stefania/A-6359-2012; Shmeleva, Alevtina/M-6199-2015; Camarri, Paolo/M-7979-2015; Gavrilenko, Igor/M-8260-2015; Tikhomirov, Vladimir/M-6194-2015; Chekulaev, Sergey/O-1145-2015; Gorelov, Igor/J-9010-2015; Santamarina Rios, Cibran/K-4686-2014; Bosman, Martine/J-9917-2014; Lei, Xiaowen/O-4348-2014; Demirkoz, Bilge/C-8179-2014; Ventura, Andrea/A-9544-2015; Livan, Michele/D-7531-2012; Mitsou, Vasiliki/D-1967-2009; Joergensen, Morten/E-6847-2015; Martins, Paulo/M-1844-2014; Mir, Lluisa-Maria/G-7212-2015; Riu, Imma/L-7385-2014; Cabrera Urban, Susana/H-1376-2015 OI Grancagnolo, Francesco/0000-0002-9367-3380; Korol, Aleksandr/0000-0001-8448-218X; Maio, Amelia/0000-0001-9099-0009; Fiolhais, Miguel/0000-0001-9035-0335; Karyukhin, Andrey/0000-0001-9087-4315; Anjos, Nuno/0000-0002-0018-0633; Abdelalim, Ahmed Ali/0000-0002-2056-7894; Capua, Marcella/0000-0002-2443-6525; Di Micco, Biagio/0000-0002-4067-1592; Tartarelli, Giuseppe Francesco/0000-0002-4244-502X; Mora Herrera, Maria Clemencia/0000-0003-3915-3170; Maneira, Jose/0000-0002-3222-2738; Morone, Maria Cristina/0000-0002-0200-0632; Goncalo, Ricardo/0000-0002-3826-3442; Mashinistov, Ruslan/0000-0001-7925-4676; Solodkov, Alexander/0000-0002-2737-8674; Zaitsev, Alexandre/0000-0002-4961-8368; Monzani, Simone/0000-0002-0479-2207; Carvalho, Joao/0000-0002-3015-7821; Booth, Christopher/0000-0002-6051-2847; Gonzalez de la Hoz, Santiago/0000-0001-5304-5390; Guo, Jun/0000-0001-8125-9433; Smirnova, Oxana/0000-0003-2517-531X; Aguilar Saavedra, Juan Antonio/0000-0002-5475-8920; Pacheco Pages, Andres/0000-0001-8210-1734; Leyton, Michael/0000-0002-0727-8107; Jones, Roger/0000-0002-6427-3513; Vranjes Milosavljevic, Marija/0000-0003-4477-9733; SULIN, VLADIMIR/0000-0003-3943-2495; Olshevskiy, Alexander/0000-0002-8902-1793; Price, Darren/0000-0003-2750-9977; Quinonez Granados, Fernando Andres/0000-0002-0153-6160; Belanger-Champagne, Camille/0000-0003-2368-2617; Doria, Alessandra/0000-0002-5381-2649; Veloso, Filipe/0000-0002-5956-4244; Gomes, Agostinho/0000-0002-5940-9893; la rotonda, laura/0000-0002-6780-5829; Osculati, Bianca Maria/0000-0002-7246-060X; Amorim, Antonio/0000-0003-0638-2321; Santos, Helena/0000-0003-1710-9291; Coccaro, Andrea/0000-0003-2368-4559; De Lotto, Barbara/0000-0003-3624-4480; Casadei, Diego/0000-0002-3343-3529; Della Volpe, Domenico/0000-0001-8530-7447; Romero-Maltrana, Diego/0000-0003-2550-5243; Pomarede, Daniel/0000-0003-2038-0488; Mendes Saraiva, Joao Gentil/0000-0002-7006-0864; Salamanna, Giuseppe/0000-0002-0861-0052; Lacasta, Carlos/0000-0002-2623-6252; Perrino, Roberto/0000-0002-5764-7337; Smirnov, Sergei/0000-0002-6778-073X; Doyle, Anthony/0000-0001-6322-6195; Ferrando, James/0000-0002-1007-7816; Takai, Helio/0000-0001-9253-8307; Britton, David/0000-0001-9998-4342; Gladilin, Leonid/0000-0001-9422-8636; Barreiro, Fernando/0000-0002-3021-0258; Moorhead, Gareth/0000-0002-9299-9549; Petrucci, Fabrizio/0000-0002-5278-2206; Wemans, Andre/0000-0002-9669-9500; Fabbri, Laura/0000-0002-4002-8353; Kuzhir, Polina/0000-0003-3689-0837; Delmastro, Marco/0000-0003-2992-3805; Veneziano, Stefano/0000-0002-2598-2659; Della Pietra, Massimo/0000-0003-4446-3368; Andreazza, Attilio/0000-0001-5161-5759; Rotaru, Marina/0000-0003-3303-5683; Cascella, Michele/0000-0003-2091-2501; Orlov, Ilya/0000-0003-4073-0326; Annovi, Alberto/0000-0002-4649-4398; Stoicea, Gabriel/0000-0002-7511-4614; Brooks, William/0000-0001-6161-3570; Pina, Joao /0000-0001-8959-5044; Vanyashin, Aleksandr/0000-0002-0367-5666; La Rosa, Alessandro/0000-0001-6291-2142; Moraes, Arthur/0000-0002-5157-5686; Conde Muino, Patricia/0000-0002-9187-7478; Boyko, Igor/0000-0002-3355-4662; Kuleshov, Sergey/0000-0002-3065-326X; Solfaroli Camillocci, Elena/0000-0002-5347-7764; Castro, Nuno/0000-0001-8491-4376; Wolters, Helmut/0000-0002-9588-1773; 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FU ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq, Brazil; FAPESP, Brazil; NSERC, Canada; NRC, Canada; CFI, Canada; CERN; CONICYT, Chile; CAS, China; MOST, China; NSFC, China; COLCIENCIAS, Colombia; MSMT CR, Czech Republic; MPO CR, Czech Republic; VSC CR, Czech Republic; DNRF, Denmark; DNSRC, Denmark; Lundbeck Foundation, Denmark; ARTEMIS; European Union; IN2P3-CNRS, France; CEA-DSM/IRFU, France; GNAS, Georgia; BMBF, Germany; DFG, Germany; HGF, Germany; MPG, Germany; AvH Foundation, Germany; GSRT, Greece; ISF, Israel; MINERVA, Israel; GIF, Israel; DIP, Israel; Benoziyo Center, Israel; INFN, Italy; MEXT, Japan; JSPS, Japan; CNRST, Morocco; FOM, Netherlands; NWO, Netherlands; RCN, Norway; MNiSW, Poland; GRICES, Portugal; FCT, Portugal; MERYS (MECTS), Romania; MES of Russia; ROSATOM; Russian Federation; JINR; MSTD, Serbia; MSSR, Slovakia; ARRS, Slovenia; MVZT, Slovenia; DST/NRF, South Africa; MICINN, Spain; SRC, Sweden; Wallenberg Foundation, Sweden; SER, Switzerland; SNSF, Switzerland; Canton of Bern, Switzerland; Canton of Geneva, Switzerland; NSC, Taiwan; TAEK, Turkey; STFC, United Kingdom; Royal Society, United Kingdom; Leverhulme Trust, United Kingdom; DOE, United States of America; NSF, United States of America FX We acknowledge the support of ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq and FAPESP, Brazil; NSERC, NRC and CFI, Canada; CERN; CONICYT, Chile; CAS, MOST and NSFC, China; COLCIENCIAS, Colombia; MSMT CR, MPO CR and VSC CR, Czech Republic; DNRF, DNSRC and Lundbeck Foundation, Denmark; ARTEMIS, European Union; IN2P3-CNRS, CEA-DSM/IRFU, France; GNAS, Georgia; BMBF, DFG, HGF, MPG and AvH Foundation, Germany; GSRT, Greece; ISF, MINERVA, GIF, DIP and Benoziyo Center, Israel; INFN, Italy; MEXT and JSPS, Japan; CNRST, Morocco; FOM and NWO, Netherlands; RCN, Norway; MNiSW, Poland; GRICES and FCT, Portugal; MERYS (MECTS), Romania; MES of Russia and ROSATOM, Russian Federation; JINR; MSTD, Serbia; MSSR, Slovakia; ARRS and MVZT, Slovenia; DST/NRF, South Africa; MICINN, Spain; SRC and Wallenberg Foundation, Sweden; SER, SNSF and Cantons of Bern and Geneva, Switzerland; NSC, Taiwan; TAEK, Turkey; STFC, the Royal Society and Leverhulme Trust, United Kingdom; DOE and NSF, United States of America. NR 20 TC 159 Z9 159 U1 11 U2 100 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 FEB 1 PY 2012 VL 707 IS 3-4 BP 330 EP 348 DI 10.1016/j.physletb.2011.12.056 PG 19 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 890HA UT WOS:000300134500003 ER PT J AU Shiltsev, V AF Shiltsev, Vladimir TI Mikhail Lomonosov and the dawn of Russian science SO PHYSICS TODAY LA English DT Article C1 Fermilab Natl Accelerator Lab, Accelerator Phys Ctr, Batavia, IL USA. RP Shiltsev, V (reprint author), Fermilab Natl Accelerator Lab, Accelerator Phys Ctr, Batavia, IL USA. NR 10 TC 8 Z9 8 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0031-9228 J9 PHYS TODAY JI Phys. Today PD FEB PY 2012 VL 65 IS 2 BP 40 EP 46 PG 7 WC Physics, Multidisciplinary SC Physics GA 892GH UT WOS:000300274200028 ER PT J AU Madaeni, SH Sioshansi, R Denholm, P AF Madaeni, Seyed Hossein Sioshansi, Ramteen Denholm, Paul TI How Thermal Energy Storage Enhances the Economic Viability of Concentrating Solar Power SO PROCEEDINGS OF THE IEEE LA English DT Article DE Capacity value; concentrating solar power; energy economics; thermal energy storage ID INTERMITTENT GENERATION; ELECTRICITY MARKET; WIND GENERATION; PLANTS; PHOTOVOLTAICS; CAPACITY; BEHAVIOR; SYSTEMS AB This paper examines the economic performance and rationale of concentrating solar power (CSP) with and without thermal energy storage (TES). We demonstrate that TES can increase the energy and capacity value of CSP and also show that adding TES to a CSP plant can increase its economic viability by increasing its operating revenues to the point that the capital cost of CSP can be justified. C1 [Madaeni, Seyed Hossein; Sioshansi, Ramteen] Ohio State Univ, Integrated Syst Engn Dept, Columbus, OH 43210 USA. [Denholm, Paul] Natl Renewable Energy Lab, Strateg Energy Anal Ctr, Golden, CO 80401 USA. RP Madaeni, SH (reprint author), Ohio State Univ, Integrated Syst Engn Dept, Columbus, OH 43210 USA. FU Alliance for Sustainable Energy, LLC [AXL-9-99214-01, AGJ-0-40267-01] FX This work was supported by the Alliance for Sustainable Energy, LLC under subcontracts AXL-9-99214-01 and AGJ-0-40267-01. NR 52 TC 28 Z9 28 U1 2 U2 23 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9219 EI 1558-2256 J9 P IEEE JI Proc. IEEE PD FEB PY 2012 VL 100 IS 2 BP 335 EP 347 DI 10.1109/JPROC.2011.2144950 PG 13 WC Engineering, Electrical & Electronic SC Engineering GA 880TG UT WOS:000299429700004 ER PT J AU Verhelst, S Wallner, T Eichlseder, H Naganuma, K Gerbig, F Boyer, B Tanno, S AF Verhelst, Sebastian Wallner, Thomas Eichlseder, Helmut Naganuma, Kaname Gerbig, Falk Boyer, Brad Tanno, Shiro TI Electricity Powering Combustion: Hydrogen Engines SO PROCEEDINGS OF THE IEEE LA English DT Article DE Clean; energy; fuel; gaseous; hydrogen; internal combustion engines; (near-) zero emissions; renewable; sustainable; transportation; vehicles ID INJECTION; ECONOMY AB Hydrogen is ameans to chemically store energy. It can be used to buffer energy in a society increasingly relying on renewable but intermittent energy or as an energy vector for sustainable transportation. It is also attractive for its potential to power vehicles with (near-) zero tailpipe emissions. The use of hydrogen as an energy carrier for transport applications is mostly associated with fuel cells. However, hydrogen can also be used in an internal combustion engine (ICE). When converted to or designed for hydrogen operation, an ICE can attain high power output, high efficiency and ultra low emissions. Also, because of the possibility of bi-fuel operation, the hydrogen engine can act as an accelerator for building up a hydrogen infrastructure. The properties of hydrogen are quite different from the presently used hydrocarbon fuels, which is reflected in the design and operation of a hydrogen fueled ICE (H2ICE). These characteristics also result in more flexibility in engine control strategies and thus more routes for engine optimization. This article describes the most characteristic features of H2ICEs, the current state of H2ICE research and demonstration, and the future prospects. C1 [Verhelst, Sebastian] Univ Ghent, Dept Flow Heat & Combust Mech, B-9000 Ghent, Belgium. [Wallner, Thomas] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Eichlseder, Helmut] Graz Univ Technol, Inst Internal Combust Engines & Thermodynam, A-8010 Graz, Austria. [Naganuma, Kaname] Tokyo City Univ, Hydrogen Energy Res Ctr, Tokyo, Japan. [Gerbig, Falk] BMW Grp Res & Technol, Munich, Germany. [Boyer, Brad] Ford Motor Co, Engine Res, Dearborn, MI 48121 USA. [Tanno, Shiro] Toyota Motor Co Ltd, Adv Power Train Engn, Adv Engine Res, Shizuoka, Japan. RP Verhelst, S (reprint author), Univ Ghent, Dept Flow Heat & Combust Mech, B-9000 Ghent, Belgium. EM sebastian.verhelst@UGent.be; twallner@anl.gov; helmut.eichlseder@vkma.tu-graz.ac.at; knaga@tcu.ac.jp; falk.gerbig@bmw.de; bboyer1@ford.com; tanno@engine.tec.toyota.co.jp OI Verhelst, Sebastian/0000-0003-2421-580X FU UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"), Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; DOE, Office of Energy Efficiency and Renewable Energy FX Manuscript received February 1, 2011; revised April 16, 2011; accepted April 20, 2011. Date of publication June 27, 2011; date of current version January 20, 2012. This work was supported in part by the UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"), Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract DE-AC02-06CH11357. This work was also supported in part by DOE's FreedomCAR and Vehicle Technologies Program, Office of Energy Efficiency and Renewable Energy. 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 39 TC 6 Z9 6 U1 1 U2 17 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9219 J9 P IEEE JI Proc. IEEE PD FEB PY 2012 VL 100 IS 2 BP 427 EP 439 DI 10.1109/JPROC.2011.2150190 PG 13 WC Engineering, Electrical & Electronic SC Engineering GA 880TG UT WOS:000299429700010 ER PT J AU Vijayan, BK Dimitrijevic, NM Finkelstein-Shapiro, D Wu, JS Gray, KA AF Vijayan, Baiju K. Dimitrijevic, Nada M. Finkelstein-Shapiro, Daniel Wu, Jinsong Gray, Kimberly A. TI Coupling Titania Nanotubes and Carbon Nanotubes To Create Photocatalytic Nanocomposites SO ACS CATALYSIS LA English DT Article DE titania nanotube; carbon nanotube; photocatalysis ID VISIBLE-LIGHT IRRADIATION; HETEROJUNCTION ARRAYS; SPIN-RESONANCE; TIO2 NANOTUBE; DEGRADATION; COMPOSITES; DIOXIDE; SURFACE; PHENOL; PHOTODEGRADATION AB A titania nanotube/single-wall carbon nanotube composite was prepared by a simple hydration dehydration process. These composites were characterized using X-ray diffraction and spectroscopic techniques (UV-visible diffuse reflectance, Raman, photoluminescence, and EPR) as well as electron microscopy (SEM, TEM). SEM and TEM images indicated that single-wall carbon nanotubes (SWCNTs) were interwoven with the titania nanotubes. Raman spectra further confirmed the chemical interaction between the titania nanotube and the SWCNT in the composites. The photoactivity of these composites was tested by the photooxidation of acetaldehyde. The composites showed enhanced photoactivity under both visible and UV light in comparison with conventional titania (P25) and controls. The composite having a mass ratio of 1:50 (SWCNT/TiNT) showed the maximum photocatalytic activity for acetaldehyde decay under visible light. XPS and EPR spectra indicated the creation of Ti-O-C bonds between the titania nanotube and the SWCNTs during the hydration dehydration process, which explains the visible light photoactivity. C1 [Vijayan, Baiju K.; Gray, Kimberly A.] Northwestern Univ, Ctr Catalysis & Surface Sci, Inst Catalysis Energy Proc, Evanston, IL 60208 USA. [Vijayan, Baiju K.; Finkelstein-Shapiro, Daniel; Gray, Kimberly A.] Northwestern Univ, Dept Civil & Environm Engn, Evanston, IL 60208 USA. [Finkelstein-Shapiro, Daniel] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Wu, Jinsong] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Wu, Jinsong] Northwestern Univ, NUANCE Ctr, Evanston, IL 60208 USA. [Dimitrijevic, Nada M.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Dimitrijevic, Nada M.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Gray, KA (reprint author), Northwestern Univ, Ctr Catalysis & Surface Sci, Inst Catalysis Energy Proc, Evanston, IL 60208 USA. EM k-gray@northwestern.edu RI Gray, Kimberly/B-6989-2009; OI Finkelstein Shapiro, Daniel/0000-0001-8015-5376 FU U.S. Department of Energy [DE-FG02-03 ER 15457/A003, DE-AC02-06CH11357]; Honeywell Corp. FX This work was performed under the auspices of the U.S. Department of Energy, under Contracts DE-FG02-03 ER 15457/A003 and DE-AC02-06CH11357 (ICEP). D.F.-S. also acknowledges support from Honeywell Corp. Sample characterizations (XRD, SEM, Raman, XPS, and BET) were performed in the JB Cohen X-ray facility, and the NUANCE and Kung's Lab at Northwestern University. NR 51 TC 54 Z9 55 U1 13 U2 88 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD FEB PY 2012 VL 2 IS 2 BP 223 EP 229 DI 10.1021/cs200541a PG 7 WC Chemistry, Physical SC Chemistry GA 887XU UT WOS:000299967500004 ER PT J AU Du, WX Mackenzie, KE Milano, DF Deskins, NA Su, D Teng, XW AF Du, Wenxin Mackenzie, Kayla E. Milano, Daniel F. Deskins, N. Aaron Su, Dong Teng, Xiaowei TI Palladium-Tin Alloyed Catalysts for the Ethanol Oxidation Reaction in an Alkaline Medium SO ACS CATALYSIS LA English DT Article DE Pd-Sn; ethanol oxidation reaction; alkaline fuel cell; rate law; DFT calculations ID ALCOHOL FUEL-CELLS; ELECTROCATALYTIC ACTIVITY; ACID-MEDIUM; ELECTROOXIDATION; PD; PERFORMANCE; METHANOL; PSEUDOPOTENTIALS; NANOPARTICLES; MECHANISM AB In this paper, we present a study of a series of carbon-supported Pd-Sn binary alloyed catalysts prepared through a modified Polyol method as anode electrocatalysts for direct ethanol fuel cell reactions in an alkaline medium. Transmission electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and aberration-corrected scanning transmission electron microscopy equipped with electron energy loss spectroscopy were used to characterize the Pd-Sn/C catalysts, where homogeneous Pd-Sn alloys were determined to be present with the surface Sn being partially oxidized. Among various Pd-Sn catalysts, Pd86Sn14/C catalysts showed much enhanced current densities in cyclic voltammetric and chronoamperometric measurements, compared to commercial Pd/C (Johns,:on Matthey). The overall rate law of ethanol oxidation reaction for both Pd86Sn14/C and commercial Pd/C were also determined, which clearly showed that Pd86Sn14/C was more favorable in high ethanol concentration and/or high pH environment. Density functional theory calculations also confirmed Pd-Sn alloy structures would result in lower reaction energies for the dehydrogenation of ethanol, compared to the pure Pd crystal. C1 [Du, Wenxin; Mackenzie, Kayla E.; Milano, Daniel F.; Teng, Xiaowei] Univ New Hampshire, Dept Chem Engn, Durham, NH 03824 USA. [Deskins, N. Aaron] Worcester Polytech Inst, Dept Chem Engn, Worcester, MA 01609 USA. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Teng, XW (reprint author), Univ New Hampshire, Dept Chem Engn, Durham, NH 03824 USA. EM xw.teng@unh.edu RI Deskins, Nathaniel/H-3954-2012; Su, Dong/A-8233-2013; Du, Wenxin/P-9195-2014 OI Su, Dong/0000-0002-1921-6683; FU University of New Hampshire; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This work is supported in part by the University of New Hampshire (X.T., W.D., K.M., D.M.). Research was carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 50 TC 74 Z9 74 U1 12 U2 108 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD FEB PY 2012 VL 2 IS 2 BP 287 EP 297 DI 10.1021/cs2005955 PG 11 WC Chemistry, Physical SC Chemistry GA 887XU UT WOS:000299967500011 ER PT J AU Chen, JCH Fisher, Z Kovalevsky, AY Mustyakimov, M Hanson, BL Zhurov, VV Langan, P AF Chen, Julian C. -H. Fisher, Zoe Kovalevsky, Andrey Y. Mustyakimov, Marat Hanson, B. Leif Zhurov, Vladimir V. Langan, Paul TI Room-temperature ultrahigh-resolution time-of-flight neutron and X-ray diffraction studies of H/D-exchanged crambin SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article DE crambin; neutron diffraction; ultrahigh resolution; H; D exchange ID DIISOPROPYL FLUOROPHOSPHATASE DFPASE; D-XYLOSE ISOMERASE; PROTEIN CRYSTALLOGRAPHY; SPALLATION NEUTRONS; PROTONATION STATES; ALDOSE REDUCTASE; HYDROGEN; POSITIONS; CRYSTALS; ACCURATE AB The room-temperature (RT) X-ray structure of H/D-exchanged crambin is reported at 0.85 angstrom resolution. As one of the very few proteins refined with anisotropic atomic displacement parameters at two temperatures, the dynamics of atoms in the RT and 100 K structures are compared. Neutron diffraction data from an H/D-exchanged crambin crystal collected at the Protein Crystallography Station (PCS) showed diffraction beyond 1.1 angstrom resolution. This is the highest resolution neutron diffraction reported to date for a protein crystal and will reveal important details of the anisotropic motions of H and D atoms in protein structures. C1 [Chen, Julian C. -H.] Goethe Univ Frankfurt, Inst Biophys Chem, D-60438 Frankfurt, Germany. [Fisher, Zoe; Kovalevsky, Andrey Y.; Mustyakimov, Marat] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Hanson, B. Leif; Zhurov, Vladimir V.; Langan, Paul] Univ Toledo, Dept Chem, Toledo, OH 43606 USA. [Langan, Paul] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. RP Chen, JCH (reprint author), Goethe Univ Frankfurt, Inst Biophys Chem, Max von Laue Str 9, D-60438 Frankfurt, Germany. EM chen@chemie.uni-frankfurt.de RI Lujan Center, LANL/G-4896-2012; Hanson, Bryant Leif/F-8007-2010; Langan, Paul/N-5237-2015; OI Hanson, Bryant Leif/0000-0003-0345-3702; Langan, Paul/0000-0002-0247-3122; Kovalevsky, Andrey/0000-0003-4459-9142 FU US Department of Energy Office of Biological and Environmental Research (DOE-OBER) FX We thank Dr Blaine Schatz for providing crambe seed for this study, Dr Pavel Afonine for advice on PHENIX refinement and Mary Jo Waltman, Dr A. Alan Pinkerton and Dr Kristin Kirschbaum for technical assistance. JC-HC thanks Dr Justin and Cynthia Chen for their support. The PCS is funded by the US Department of Energy Office of Biological and Environmental Research (DOE-OBER). NR 25 TC 5 Z9 5 U1 0 U2 12 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Cryst. Commun. PD FEB PY 2012 VL 68 BP 119 EP 123 DI 10.1107/S1744309111051499 PN 2 PG 5 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 887RW UT WOS:000299948000002 PM 22297981 ER PT J AU Joseph, RE Ginder, ND Hoy, JA Nix, JC Fulton, DB Honzatko, RB Andreotti, AH AF Joseph, Raji E. Ginder, Nathaniel D. Hoy, Julie A. Nix, Jay C. Fulton, D. Bruce Honzatko, Richard B. Andreotti, Amy H. TI Structure of the interleukin-2 tyrosine kinase Src homology 2 domain; comparison between X-ray and NMR-derived structures SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article DE IL-2-inducible T-cell kinase; Src homology 2 domain; proline isomerization; domain swapping ID ITK SH2 DOMAIN; CIS-TRANS ISOMERIZATION; PROLINE ISOMERIZATION; PROLYL ISOMERIZATION; CRYSTAL-STRUCTURE; CIS/TRANS ISOMERIZATION; CONFORMATIONAL SWITCH; MAXIMUM-LIKELIHOOD; SIGNALING PROTEIN; ELECTRON-DENSITY AB The crystal structure of the interleukin-2 tyrosine kinase Src homology domain (Itk SH2) is described and it is found that unlike in studies of this domain using NMR spectroscopy, cistrans-prolyl isomerization is not readily detected in the crystal structure. Based on similarities between the Itk SH2 crystal form and the cis form of the Itk SH2 NMR structure, it is concluded that it is likely that the prolyl imide bond at least in part adopts the cis conformation in the crystal form. However, the lack of high-resolution data and the dynamic nature of the proline-containing loop mean that the precise imide-bond conformation cannot be determined and prolyl cistrans isomerization in the crystal cannot be ruled out. Given the preponderance of structures that have been solved by X-ray crystallography in the Protein Data Bank, this result supports the notion that prolyl isomerization in folded proteins has been underestimated among known structures. Interestingly, while the precise status of the proline residue is ambiguous, Itk SH2 crystallizes as a domain-swapped dimer. The domain-swapped structure of Itk SH2 is similar to the domain-swapped SH2 domains of Grb2 and Nck, with domain swapping occurring at the similar to beta-meander region of all three SH2 domains. Thus, for Itk SH2 structural analysis by NMR spectroscopy and X-ray crystallography revealed very different structural features: proline isomerization versus domain-swapped dimerization, respectively. C1 [Joseph, Raji E.; Ginder, Nathaniel D.; Fulton, D. Bruce; Honzatko, Richard B.; Andreotti, Amy H.] Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA. [Hoy, Julie A.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Nix, Jay C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Andreotti, AH (reprint author), Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA. EM amyand@iastate.edu FU National Institutes of Health (National Institute of Allergy and Infectious Diseases) [AI043957, AI075150]; Office of Science, Office of Basic Energy Sciences of the US Department of Energy [DE-AC02-05CH11231]; [NS010546] FX We would like to thank Dr Michael Shogren-Knaak and Abdelhamid M. Azzaz for help with sedimentation-equilibrium experiments. We would also like to thank Dr Yeon-Kyun Shin and Jaeil Shin for help with size-exclusion chromatography. This work was supported by grants from the National Institutes of Health (National Institute of Allergy and Infectious Diseases, AI043957 and AI075150) to AHA and grant NS010546 to RBH. The use of the beamline at 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 43 TC 3 Z9 3 U1 1 U2 6 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Cryst. Commun. PD FEB PY 2012 VL 68 BP 145 EP 153 DI 10.1107/S1744309111049761 PN 2 PG 9 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 887RW UT WOS:000299948000007 PM 22297986 ER PT J AU Marmont, LS Whitney, JC Robinson, H Colvin, KM Parsek, MR Howell, PL AF Marmont, Lindsey S. Whitney, John C. Robinson, Howard Colvin, Kelly M. Parsek, Matthew R. Howell, P. Lynne TI Expression, purification, crystallization and preliminary X-ray analysis of Pseudomonas aeruginosa PelD SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article DE PelD; pellicles; Pseudomonas aeruginosa; inner membrane proteins; cystic fibrosis; biofilms; exopolysaccharides; c-di-GMP receptors; GGDEF domains; GAF domains ID EXOPOLYSACCHARIDE PRODUCTION; PROTEIN; DIFFRACTION; DIGUANYLATE; PREDICTION; BIOFILMS; MATRIX; DOMAIN; SERVER; PAO1 AB The production of the PEL polysaccharide in Pseudomonas aeruginosa requires the binding of bis-(3',5')-cyclic dimeric guanosine monophosphate (c-di-GMP) to the cytoplasmic GGDEF domain of the inner membrane protein PelD. Here, the overexpression, purification and crystallization of a soluble construct of PelD that encompasses the GGDEF domain and a predicted GAF domain is reported. Diffraction-quality crystals were grown using the hanging-drop vapour-diffusion method. The crystals grew as flat plates, with unit-cell parameters a similar to=similar to 88.3, b = 114.0, c = 61.9 angstrom, a = beta = ? = 90.0 degrees. The PelD crystals exhibited the symmetry of space group P21212 and diffracted to a minimum d-spacing of 2.2 angstrom. On the basis of the Matthews coefficient (VM = 2.29 angstrom 3 Da-1), it was estimated that two molecules are present in the asymmetric unit. C1 [Marmont, Lindsey S.; Whitney, John C.; Howell, P. Lynne] Hosp Sick Children, Res Inst, Program Mol Struct & Funct, Toronto, ON M5G 1X8, Canada. [Whitney, John C.; Howell, P. Lynne] Univ Toronto, Fac Med, Dept Biochem, Toronto, ON M5S 1A8, Canada. [Robinson, Howard] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Colvin, Kelly M.; Parsek, Matthew R.] Univ Washington, Dept Microbiol, Seattle, WA 98195 USA. RP Howell, PL (reprint author), Hosp Sick Children, Res Inst, Program Mol Struct & Funct, 555 Univ Ave, Toronto, ON M5G 1X8, Canada. EM howell@sickkids.ca FU Canadian Institutes of Health Research (CIHR) [MT 43998]; National Institutes of Health (NIH) [R01 AI077628-01A1]; National Science Foundation (NSF) [MCB0822405]; Natural Sciences and Engineering Research Council of Canada; Canadian Cystic Fibrosis Foundation; Ontario Graduate Scholarship Program; Ontario Student Opportunities Trust Fund; The Hospital for Sick Children Foundation; Department of Energy; NIH National Centre for Research Resources FX The authors thank the ACGT DNA Technologies Corporation for assistance with DNA sequencing. This work was supported by research grants from the Canadian Institutes of Health Research to PLH (CIHR No. MT 43998) and from the National Institutes of Health (NIH; R01 AI077628-01A1) and National Science Foundation (NSF; MCB0822405) to MRP. PLH is the recipient of a Canada Research Chair. JCW has been supported by graduate scholarships from the Natural Sciences and Engineering Research Council of Canada, the Canadian Cystic Fibrosis Foundation, the Ontario Graduate Scholarship Program, the Ontario Student Opportunities Trust Fund and The Hospital for Sick Children Foundation Student Scholarship Program. Beamline X29 at the National Synchrotron Light Source, Brookhaven National Laboratory is supported by the Department of Energy and by a grant from the NIH National Centre for Research Resources. NR 22 TC 3 Z9 3 U1 0 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Cryst. Commun. PD FEB PY 2012 VL 68 BP 181 EP 184 DI 10.1107/S1744309111052109 PN 2 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 887RW UT WOS:000299948000015 PM 22297994 ER PT J AU Nachtrab, S Kapfer, SC Rietzel, D Drummer, D Madadi, M Arns, CH Kraynik, AM Schroder-Turk, GE Mecke, K AF Nachtrab, Susan Kapfer, Sebastian C. Rietzel, Dominik Drummer, Dietmar Madadi, Mahyar Arns, Christoph H. Kraynik, Andrew M. Schroeder-Turk, Gerd E. Mecke, Klaus TI Tuning Elasticity of Open-Cell Solid Foams and Bone Scaffolds via Randomized Vertex Connectivity SO ADVANCED ENGINEERING MATERIALS LA English DT Article ID TOPOLOGY OPTIMIZATION; MECHANICAL-PROPERTIES; TISSUE; BEHAVIOR; DESIGN; PARAMETERS; NETWORKS AB Tuning mechanical properties of and fluid flow through open-cell solid structures is a challenge for material science, in particular for the design of porous structures used as artificial bone scaffolds in tissue engineering. We present a method to tune the effective elastic properties of custom-designed open-cell solid foams and bone scaffold geometries by almost an order of magnitude while approximately preserving the pore space geometry and hence fluid transport properties. This strong response is achieved by a change of topology and node coordination of a network-like geometry underlying the scaffold design. Each node of a four-coordinated network is disconnected with probability p into two two-coordinated nodes, yielding network geometries that change continuously from foam- or network-like cellular structures to entangled fiber bundles. We demonstrate that increasing p leads to a strong, approximately exponential decay of mechanical stiffness while leaving the pore space geometry largely unchanged. This result is obtained by both voxel-based finite element methods and compression experiments on laser sintered models. The physical effects of randomizing network topology suggest a new design paradigm for solid foams, with adjustable mechanical properties. C1 [Nachtrab, Susan; Kapfer, Sebastian C.; Schroeder-Turk, Gerd E.; Mecke, Klaus] Univ Erlangen Nurnberg, Inst Theoret Phys, D-91058 Erlangen, Germany. [Rietzel, Dominik; Drummer, Dietmar] Univ Erlangen Nurnberg, Lehrstuhl Kunststofftech, D-91058 Erlangen, Germany. [Madadi, Mahyar; Arns, Christoph H.] Australian Natl Univ, Res Sch Phys Sci & Engn, Canberra, ACT 0200, Australia. [Arns, Christoph H.] Univ New S Wales, Sch Petr Engn, Sydney, NSW 2052, Australia. [Kraynik, Andrew M.] Sandia Natl Labs, Dept 1514 MS0836, Albuquerque, NM 87185 USA. RP Nachtrab, S (reprint author), Univ Erlangen Nurnberg, Inst Theoret Phys, Staudtstr 7, D-91058 Erlangen, Germany. EM Gerd.Schroeder-Turk@physik.uni-erlangen.de RI Schroeder-Turk, Gerd/A-9723-2011; Arns, Christoph/A-5036-2009; Mecke, Klaus/C-5562-2013; OI Schroeder-Turk, Gerd/0000-0001-5093-415X; Arns, Christoph/0000-0003-1721-3996; Madadi, Mahyar/0000-0002-6296-9082 FU Deutsche Forschungsgemeinschaft (DFG); LGA Nordbayern (Leitprojekte Medizintechnik, BayMED); German academic exchange service (DAAD) FX We are grateful to Carl Fruth (FIT GmbH, Parsberg) and Alexander Oster (NetFabb GmbH, Parsberg) for post-processing the sample data and producing multiple samples, free of charge. Many thanks to Jurgen Karsten for assistance with the mechanical testing. SN, GEST and KM acknowledge funding by the Deutsche Forschungsgemeinschaft (DFG) through the Cluster of Excellence "Engineering of Advanced Materials'' in Erlangen. DD and DR acknowledge funding by the LGA Nordbayern (Leitprojekte Medizintechnik, BayMED). SN, GEST, CHA and MM acknowledge travel support by the German academic exchange service (DAAD) and the Australian Group of Eight universities through a joint program. Supporting Information is available from the Wiley Online Library or from the author. NR 40 TC 3 Z9 3 U1 1 U2 19 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1438-1656 J9 ADV ENG MATER JI Adv. Eng. Mater. PD FEB PY 2012 VL 14 IS 1-2 BP 120 EP 124 DI 10.1002/adem.201100145 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 887QF UT WOS:000299942800018 ER PT J AU de Barros, FPJ Ezzedine, S Rubin, Y AF de Barros, Felipe P. J. Ezzedine, Souheil Rubin, Yoram TI Impact of hydrogeological data on measures of uncertainty, site characterization and environmental performance metrics SO ADVANCES IN WATER RESOURCES LA English DT Article DE Stochastic hydrogeology; Human health risk assessment; Conditioning; Information theory; Uncertainty reduction; Contaminant transport ID HETEROGENEOUS POROUS FORMATIONS; SOLUTE DISCHARGE MOMENTS; MINIMUM RELATIVE ENTROPY; PORE-SCALE DISPERSION; TRAVEL-TIME MOMENTS; MEAN UNIFORM-FLOW; CONSERVATIVE SOLUTES; GROUNDWATER-FLOW; CONCENTRATION STATISTICS; HYDRAULIC CONDUCTIVITY AB The significance of conditioning predictions of environmental performance metrics (EPMs) on hydrogeological data in heterogeneous porous media is addressed. Conditioning EPMs on available data reduces uncertainty and increases the reliability of model predictions. We present a rational and concise approach to investigate the impact of conditioning EPMs on data as a function of the location of the environmentally sensitive target receptor, data types and spacing between measurements. We illustrate how the concept of comparative information yield curves introduced in de Barros et al. [de Barros FPJ, Rubin Y, Maxwell R. The concept of comparative information yield curves and its application to risk-based site characterization. Water Resour Res 2009;45:W06401. doi:10.1029/2008WR007324] could be used to assess site characterization needs as a function of flow and transport dimensionality and EPMs. For a given EPM, we show how alternative uncertainty reduction metrics yield distinct gains of information from a variety of sampling schemes. Our results show that uncertainty reduction is EPM dependent (e.g., travel times) and does not necessarily indicate uncertainty reduction in an alternative EPM (e.g., human health risk). The results show how the position of the environmental target, flow dimensionality and the choice of the uncertainty reduction metric can be used to assist in field sampling campaigns. (C) 2011 Elsevier Ltd. All rights reserved. C1 [de Barros, Felipe P. J.] Univ Politecn Catalunya BarcelonaTech, Dept Geotech Engn & Geosci, Barcelona 08034, Spain. [Ezzedine, Souheil] Lawrence Livermore Natl Lab, NSED, Livermore, CA 94550 USA. [Rubin, Yoram] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. RP de Barros, FPJ (reprint author), Univ Politecn Catalunya BarcelonaTech, Dept Geotech Engn & Geosci, Jordi Girona 1-3, Barcelona 08034, Spain. EM felipe.de.barros@upc.edu RI de Barros, Felipe/M-6542-2013 FU German Research Foundation (DFG) at University of Stuttgart [EXC 310/1]; Spanish Ministry of Science; US DOE Office through DOE-ERSP [DE-FG02-06ER06-16]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The first author acknowledges helpful discussions with Wolfgang Nowak at the early stages of this work and the German Research Foundation (DFG) for financial support of the project within the Cluster of Excellence in Simulation Technology (EXC 310/1) at the University of Stuttgart. The support of the Spanish Ministry of Science via the "Juan de la Cierva" program is also acknowledged. This study has been funded by the US DOE Office of Biological and Environmental Research, Environmental Remediation Science Program (ERSP), through DOE-ERSP Grant DE-FG02-06ER06-16 as part of Hanford 300 Area Integrated Field Research Challenge Project. The second author would like to acknowledge that this work was partially performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. We acknowledge the comments made by three anonymous reviewers. NR 72 TC 24 Z9 24 U1 1 U2 23 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD FEB PY 2012 VL 36 SI SI BP 51 EP 63 DI 10.1016/j.advwatres.2011.05.004 PG 13 WC Water Resources SC Water Resources GA 887YV UT WOS:000299971900006 ER PT J AU Harp, DR Vesselinov, VV AF Harp, Dylan R. Vesselinov, Velimir V. TI Analysis of hydrogeological structure uncertainty by estimation of hydrogeological acceptance probability of geostatistical models SO ADVANCES IN WATER RESOURCES LA English DT Article DE Preemptive sampling; Stochastic hydrology; Dempster-Shafer theory ID INVERSION; PARAMETERIZATION; EQUIFINALITY; METHODOLOGY; PREDICTIONS; CALIBRATION; TESTS; SCALE; FLOW AB The following describes a proposed approach to account for the equifinality of solutions that result from comparing observations to flow simulations when using realizations of geostatistical models. We introduce hydrogeological acceptance probability to estimate the propensity of a geostatistical model to produce acceptable realizations with respect to the consistency of their simulations with observations. The estimation of hydrogeological acceptance probability is equivalent to the calculation of the sample mean of a Bernoulli distribution. This allows the estimation of the acceptance probability to be preemptively terminated based on the current estimate and subject to the desired confidence level and interval length. We propose a composite uncertainty analysis of the hydrogeological heterogeneity utilizing acceptable realizations from multiple geostatistical models collected during the estimation of their acceptance probability. In the case of a non-fuzzy definition of realization acceptance, this produces a facies probability map. If the definition of realization acceptance is imprecise, the analysis yields upper and lower bounds on the facies probability map in the form of fades plausibility and belief maps, respectively. These maps can provide indications of the information content of the data and provide guidance for the collection of additional data. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Harp, Dylan R.; Vesselinov, Velimir V.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Harp, DR (reprint author), Los Alamos Natl Lab, MS T003, Los Alamos, NM 87544 USA. EM dharp@lanl.gov; vvv@lanl.gov RI Vesselinov, Velimir/P-4724-2016; OI Vesselinov, Velimir/0000-0002-6222-0530; Harp, Dylan/0000-0001-9777-8000 FU Los Alamos National Laboratory FX This work was supported by various projects within the Environmental Programs directorate of the Los Alamos National Laboratory. The authors are grateful for constructive reviews of this work by Greg Chavez, Kay H. Birdsell, Zhiming Lu, Timothy J. Ross, and three anonymous reviewers. NR 37 TC 5 Z9 6 U1 0 U2 6 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD FEB PY 2012 VL 36 SI SI BP 64 EP 74 DI 10.1016/j.advwatres.2011.06.007 PG 11 WC Water Resources SC Water Resources GA 887YV UT WOS:000299971900007 ER PT J AU Korte, AR Song, ZH Nikolau, BJ Lee, YJ AF Korte, Andrew R. Song, Zhihong Nikolau, Basil J. Lee, Young Jin TI Mass spectrometric imaging as a high-spatial resolution tool for functional genomics: Tissue-specific gene expression of TT7 inferred from heterogeneous distribution of metabolites in Arabidopsis flowers SO ANALYTICAL METHODS LA English DT Article ID AMBIENT CONDITIONS; THALIANA; MATRIX; METABOLOMICS; METHODOLOGY; SILVER; LIPIDS; BRAIN; MS AB Laser desorption/ionization (LDI) mass spectrometry imaging (MSI) was used to acquire chemical images of flavonoid metabolites on the surface of wild-type and mutant (tt7) Arabidopsis thaliana flowers. Flavonoids were localized to the petals and carpels of flowers, with tissue heterogeneity in the petals. Specifically, kaempferol and/or its glycosides were abundant in the distal region of petals and quercetin and its downstream flavonoids were highly enriched in the more proximal region of petals. As a result of a mutation in the TT7 gene which blocks the conversion of dihydrokaempferol to dihydroquercetin, the downstream metabolites, quercetin, isohamnetin, and their glycosides, were not observed in the mutant flowers. Instead, the metabolites in an alternative pathway, kaempferol and/or its glycosides, were as highly abundant on the proximal region of the petals as in the distal region. In addition, the combined flavonoid amounts on the proximal region of petals in the wild-type are almost equivalent to the amounts of kaempferol and/or its glycosides in the mutant. This strongly suggests that the expression of the TT7 gene is localized on the proximal part of the petal while the other genes in the upper stream pathway are evenly expressed throughout the petal. Most importantly, this work demonstrates MSI of metabolites can be utilized for the localization of gene expression. C1 [Korte, Andrew R.; Song, Zhihong; Nikolau, Basil J.; Lee, Young Jin] US DOE, Ames Lab, Ames, IA 50011 USA. [Korte, Andrew R.; Lee, Young Jin] Iowa State Univ Sci & Technol, Dept Chem, Ames, IA 50011 USA. [Song, Zhihong; Nikolau, Basil J.] Iowa State Univ Sci & Technol, Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA. RP Lee, YJ (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM yjlee@iastate.edu RI Lee, Young Jin/F-2317-2011 OI Lee, Young Jin/0000-0002-2533-5371 FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; Iowa State University under DOE [DE-AC02-07CH11358] FX This work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The Ames Laboratory is operated by Iowa State University under DOE Contract DE-AC02-07CH11358. NR 35 TC 13 Z9 13 U1 1 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1759-9660 J9 ANAL METHODS-UK JI Anal. Methods PD FEB PY 2012 VL 4 IS 2 BP 474 EP 481 DI 10.1039/c2ay05618f PG 8 WC Chemistry, Analytical; Food Science & Technology; Spectroscopy SC Chemistry; Food Science & Technology; Spectroscopy GA 888XW UT WOS:000300038900025 ER PT J AU Elias, G Mattson, ED Little, JE AF Elias, Gracy Mattson, Earl D. Little, Jessica E. TI A HPLC method for the quantification of butyramide and acetamide at ppb levels in hydrogeothermal waters SO ANALYTICAL METHODS LA English DT Article ID PERFORMANCE LIQUID-CHROMATOGRAPHY; SPECTROMETRY METHOD; MASS-SPECTROMETRY; PLASMA; ACRYLAMIDE AB A quantitative analytical method to determine butyramide and acetamide concentrations at the low ppb levels in geothermal waters has been developed. The analytes are concentrated in a preparation step by evaporation and analyzed using HPLC-UV. Chromatographic separation is achieved isocratically with a RP C-18 column using a 30 mM phosphate buffer solution with 5 mM heptane sulfonic acid and methanol (98 : 2 ratio) as the mobile phase. Absorbance is measured at 200 nm. The limit of detection (LOD) for BA and AA were 2.0 mu g L-1 and 2.5 mu g L--1,L- respectively. The limit of quantification (LOQ) for BA and AA were 5.7 mu g L-1 and 7.7 mu g L-1, respectively, at the detection wavelength of 200 nm. Attaining these levels of quantification better allows these amides to be used as thermally reactive tracers in low-temperature hydrogeothermal systems. C1 [Elias, Gracy; Mattson, Earl D.; Little, Jessica E.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Elias, G (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM gracy.elias@inl.gov OI Mattson, Earl/0000-0002-2616-0008 FU U.S. Department of Energy, Office of Geothermal Technologies, under DOE Idaho Operations Office [DE-AC07-05ID14517] FX This work was supported by the U.S. Department of Energy, Office of Geothermal Technologies, under DOE Idaho Operations Office Contract DE-AC07-05ID14517. NR 13 TC 1 Z9 1 U1 1 U2 10 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1759-9660 J9 ANAL METHODS-UK JI Anal. Methods PD FEB PY 2012 VL 4 IS 2 BP 530 EP 533 DI 10.1039/c2ay05576g PG 4 WC Chemistry, Analytical; Food Science & Technology; Spectroscopy SC Chemistry; Food Science & Technology; Spectroscopy GA 888XW UT WOS:000300038900034 ER PT J AU Green, SJ Prakash, O Jasrotia, P Overholt, WA Cardenas, E Hubbard, D Tiedje, JM Watson, DB Schadt, CW Brooks, SC Kostka, JE AF Green, Stefan J. Prakash, Om Jasrotia, Puja Overholt, Will A. Cardenas, Erick Hubbard, Daniela Tiedje, James M. Watson, David B. Schadt, Christopher W. Brooks, Scott C. Kostka, Joel E. TI Denitrifying Bacteria from the Genus Rhodanobacter Dominate Bacterial Communities in the Highly Contaminated Subsurface of a Nuclear Legacy Waste Site SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SP NOV.; MICROBIAL COMMUNITIES; URANIUM; SEDIMENTS; NITRATE; SOIL; AQUIFER; DENITRIFICATION; BIOREMEDIATION; GROUNDWATER AB The effect of long-term mixed-waste contamination, particularly uranium and nitrate, on the microbial community in the terrestrial subsurface was investigated at the field scale at the Oak Ridge Integrated Field Research Challenge (ORIFRC) site in Oak Ridge, TN. The abundance, community composition, and distribution of groundwater microorganisms were examined across the site during two seasonal sampling events. At representative locations, subsurface sediment was also examined from two boreholes, one sampled from the most heavily contaminated area of the site and another from an area with low contamination. A suite of DNA- and RNA-based molecular tools were employed for community characterization, including quantitative PCR of rRNA and nitrite reductase genes, community composition fingerprinting analysis, and high-throughput pyrotag sequencing of rRNA genes. The results demonstrate that pH is a major driver of the subsurface microbial community structure and that denitrifying bacteria from the genus Rhodanobacter (class Gammaproteobacteria) dominate at low pH. The relative abundance of bacteria from this genus was positively correlated with lower-pH conditions, and these bacteria were abundant and active in the most highly contaminated areas. Other factors, such as the concentration of nitrogen species, oxygen level, and sampling season, did not appear to strongly influence the distribution of Rhodanobacter bacteria. The results indicate that these organisms are acid-tolerant denitrifiers, well suited to the acidic, nitrate-rich subsurface conditions, and pH is confirmed as a dominant driver of bacterial community structure in this contaminated subsurface environment. C1 [Green, Stefan J.; Prakash, Om; Jasrotia, Puja; Overholt, Will A.; Hubbard, Daniela; Kostka, Joel E.] Florida State Univ, Dept Oceanog, Tallahassee, FL 32306 USA. [Green, Stefan J.] Univ Illinois, Res Resource Ctr, DNA Serv Facil, Chicago, IL USA. [Cardenas, Erick; Tiedje, James M.] Michigan State Univ, Ctr Microbial Ecol, E Lansing, MI 48824 USA. [Watson, David B.; Schadt, Christopher W.; Brooks, Scott C.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP Kostka, JE (reprint author), Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. EM joel.kostka@biology.gatech.edu RI Brooks, Scott/B-9439-2012; Schadt, Christopher/B-7143-2008; Watson, David/C-3256-2016; OI Brooks, Scott/0000-0002-8437-9788; Schadt, Christopher/0000-0001-8759-2448; Watson, David/0000-0002-4972-4136; Green, Stefan/0000-0003-2781-359X FU Office of Science (Biological and Environmental Research [BER]), U.S. Department of Energy [DE-FG02-07ER64373, DE-FG02-97ER62469, DE-FG02-97ER64398]; Oak Ridge Integrated Field Research Challenge; U.S. Department of Energy [DE-AC05-000R22725]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This research was supported by the Office of Science (Biological and Environmental Research [BER]), U.S. Department of Energy grants DE-FG02-07ER64373, -97ER62469, and -97ER64398, and by the Oak Ridge Integrated Field Research Challenge, operated by the Environmental Sciences Division, Oak Ridge National Laboratory (ORNL). ORNL is managed by UT-Battelle LLC for the U.S. Department of Energy under contract no. DE-AC05-000R22725. The genome of R. denitrificans strain 2APBS1 was sequenced by the U.S. Department of Energy Joint Genome Institute, supported by the Office of Science of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. NR 56 TC 37 Z9 39 U1 9 U2 43 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 FEB PY 2012 VL 78 IS 4 BP 1039 EP 1047 DI 10.1128/AEM.06435-11 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 887HX UT WOS:000299918600017 PM 22179233 ER PT J AU Zhou, AF Chen, YYI Zane, GM He, ZL Hemme, CL Joachimiak, MP Baumohl, JK He, Q Fields, MW Arkin, AP Wall, JD Hazen, TC Zhou, JZ AF Zhou, Aifen Chen, Yunyu I. Zane, Grant M. He, Zhili Hemme, Christopher L. Joachimiak, Marcin P. Baumohl, Jason K. He, Qiang Fields, Matthew W. Arkin, Adam P. Wall, Judy D. Hazen, Terry C. Zhou, Jizhong TI Functional Characterization of Crp/Fnr-Type Global Transcriptional Regulators in Desulfovibrio vulgaris Hildenborough SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID CATABOLITE ACTIVATOR PROTEIN; SULFATE-REDUCING BACTERIA; ESCHERICHIA-COLI K-12; GENE-EXPRESSION; RHODOPSEUDOMONAS-PALUSTRIS; VULGATIS HILDENBOROUGH; SHEWANELLA-ONEIDENSIS; RHODOSPIRILLUM-RUBRUM; CR(VI) REDUCTION; OXIDATIVE STRESS AB Crp/Fnr-type global transcriptional regulators regulate various metabolic pathways in bacteria and typically function in response to environmental changes. However, little is known about the function of four annotated Crp/Fnr homologs (DVU0379, DVU2097, DVU2547, and DVU3111) in Desulfovibrio vulgaris Hildenborough. A systematic study using bioinformatic, transcriptomic, genetic, and physiological approaches was conducted to characterize their roles in stress responses. Similar growth phenotypes were observed for the crp/fnr deletion mutants under multiple stress conditions. Nevertheless, the idea of distinct functions of Crp/Fnr-type regulators in stress responses was supported by phylogeny, gene transcription changes, fitness changes, and physiological differences. The four D. vulgaris Crp/Fnr homologs are localized in three subfamilies (HcpR, CooA, and cc). The crp/fnr knockout mutants were well separated by transcriptional profiling using detrended correspondence analysis (DCA), and more genes significantly changed in expression in a Delta DVU3111 mutant (JW9013) than in the other three paralogs. In fitness studies, strain fW9013 showed the lowest fitness under standard growth conditions (i.e., sulfate reduction) and the highest fitness under NaCl or chromate stress conditions; better fitness was observed for a Delta DVU2547 mutant (JW9011) under nitrite stress conditions and a Delta DVU2097 mutant (JW9009) under air stress conditions. A higher Cr(VI) reduction rate was observed for strain JW9013 in experiments with washed cells. These results suggested that the four Crp/Fnr-type global regulators play distinct roles in stress responses of D. vulgaris. DVU3111 is implicated in responses to NaCl and chromate stresses, DVU2547 in nitrite stress responses, and DVU2097 in air stress responses. C1 [Zhou, Aifen; Chen, Yunyu I.; He, Zhili; Hemme, Christopher L.; Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. [Zane, Grant M.; Wall, Judy D.] Univ Missouri, Dept Biochem, Columbia, MO USA. [Zane, Grant M.; Wall, Judy D.] Univ Missouri, Dept Mol Microbiol & Immunol, Columbia, MO USA. [Joachimiak, Marcin P.; Baumohl, Jason K.; Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [He, Qiang] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN USA. [Fields, Matthew W.] Montana State Univ, Dept Microbiol, Ctr Biofilm Engn, Bozeman, MT 59717 USA. [Hazen, Terry C.; Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China. RP Zhou, JZ (reprint author), Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. EM zhou@ou.edu RI He, Qiang/G-9061-2011; He, Zhili/C-2879-2012; Arkin, Adam/A-6751-2008; Hazen, Terry/C-1076-2012 OI He, Qiang/0000-0002-7155-6474; Arkin, Adam/0000-0002-4999-2931; Hazen, Terry/0000-0002-2536-9993 FU Office of Science, Office of Biological and Environmental Research, U.S. Department of Energy [DE-AC02-05CH11231] FX This work conducted by ENIGMA (Ecosystems and Networks Integrated with Genes and Molecular Assemblies) was supported by the Office of Science, Office of Biological and Environmental Research, U.S. Department of Energy, under contract DE-AC02-05CH11231. NR 53 TC 8 Z9 8 U1 3 U2 13 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 FEB PY 2012 VL 78 IS 4 BP 1168 EP 1177 DI 10.1128/AEM.05666-11 PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 887HX UT WOS:000299918600032 PM 22156435 ER PT J AU Justicia-Leon, SD Ritalahti, KM Mack, EE Loffler, FE AF Justicia-Leon, Shandra D. Ritalahti, Kirsti M. Mack, E. Erin Loeffler, Frank E. TI Dichloromethane Fermentation by a Dehalobacter sp in an Enrichment Culture Derived from Pristine River Sediment SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID STRICTLY ANAEROBIC BACTERIUM; REDUCTIVE DECHLORINATION; CHLOROFORM COMETABOLISM; MIXED CULTURE; CARBON; GROWTH; FORMICOACETICUM; BIODEGRADATION; DEHALOGENATION; IDENTIFICATION AB Dichloromethane (DCM) as the sole substrate supported growth of a Dehalobacter sp. in an enrichment culture derived from noncontaminated river sediment. DCM was not reductively dechlorinated, and acetate was produced, indicating DCM fermentation and further suggesting Dehalobacter growth is not limited to organohalide respiration. C1 [Ritalahti, Kirsti M.; Loeffler, Frank E.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [Loeffler, Frank E.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. [Justicia-Leon, Shandra D.] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. [Mack, E. Erin] DuPont Co Inc, Corp Remediat Grp, Newark, DE USA. [Loeffler, Frank E.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP Loffler, FE (reprint author), Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. EM frank.loeffler@utk.edu RI Loeffler, Frank/M-8216-2013 FU DuPont Corporation; ASM Robert D. Watkins graduate research fellowship; U.S. Department of Education FX This work was supported by the DuPont Corporation, and we acknowledge members of the DuPont Corporate Remediation Group for fruitful discussions. We thank Janet Hatt from the Georgia Institute of Technology for assistance with the analysis of qPCR data and the construction of the bacterial clone library.; Shandra D. Justicia-Leon acknowledges financial support through the ASM Robert D. Watkins graduate research fellowship and the U.S. Department of Education's Graduate Assistance in Areas of National Need (GAANN) fellowship. NR 32 TC 22 Z9 23 U1 1 U2 32 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 FEB PY 2012 VL 78 IS 4 BP 1288 EP 1291 DI 10.1128/AEM.07325-11 PG 4 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 887HX UT WOS:000299918600045 PM 22179245 ER PT J AU Wiggins, M Brodrick, J AF Wiggins, Matthew Brodrick, James TI HVAC Fault Detection SO ASHRAE JOURNAL LA English DT Article C1 [Wiggins, Matthew] TIAX LLC, Lexington, MA USA. [Brodrick, James] US DOE, Bldg Technol Program, Washington, DC USA. RP Wiggins, M (reprint author), TIAX LLC, Lexington, MA USA. NR 6 TC 4 Z9 4 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 FEB PY 2012 VL 54 IS 2 BP 78 EP 80 PG 3 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 887IB UT WOS:000299919000010 ER PT J AU Schmieder, R Lim, YW Edwards, R AF Schmieder, Robert Lim, Yan Wei Edwards, Robert TI Identification and removal of ribosomal RNA sequences from metatranscriptomes SO BIOINFORMATICS LA English DT Article ID MICROBIAL METATRANSCRIPTOMICS; RAST SERVER; RESOURCE; DATABASE; PROJECT; ARB AB Here, we present riboPicker, a robust framework for the rapid, automated identification and removal of ribosomal RNA sequences from metatranscriptomic datasets. The results can be exported for subsequent analysis, and the databases used for the web-based version are updated on a regular basis. riboPicker categorizes rRNA-like sequences and provides graphical visualizations and tabular outputs of ribosomal coverage, alignment results and taxonomic classifications. Availability and implementation: This open-source application was implemented in Perl and can be used as stand-alone version or accessed online through a user-friendly web interface. The source code, user help and additional information is available at http://ribopicker.sourceforge.net/. C1 [Schmieder, Robert; Edwards, Robert] San Diego State Univ, Dept Comp Sci, San Diego, CA 92182 USA. [Schmieder, Robert] San Diego State Univ, Computat Sci Res Ctr, San Diego, CA 92182 USA. [Lim, Yan Wei] San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. [Edwards, Robert] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Schmieder, R (reprint author), San Diego State Univ, Dept Comp Sci, San Diego, CA 92182 USA. EM rschmied@sciences.sdsu.edu; redwards@cs.sdsu.edu FU National Science Foundation [DBI 0850356] FX National Science Foundation Advances in Bioinformatics grant (DBI 0850356 to R.E.). NR 16 TC 49 Z9 50 U1 0 U2 19 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD FEB 1 PY 2012 VL 28 IS 3 BP 433 EP 435 DI 10.1093/bioinformatics/btr669 PG 3 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 888ZL UT WOS:000300043200024 PM 22155869 ER PT J AU Cai, L Lu, J Sheen, V Wang, SF AF Cai, Lei Lu, Jie Sheen, Volney Wang, Shanfeng TI Promoting Nerve Cell Functions on Hydrogels Grafted with Poly(L-lysine) SO BIOMACROMOLECULES LA English DT Article ID NEURAL STEM-CELLS; POLY(EPSILON-CAPROLACTONE FUMARATE); POLYMER; DIFFERENTIATION; REGENERATION; ATTACHMENT; BEHAVIOR; PROLIFERATION; ELASTICITY; COPOLYMER AB We present a novel photopolymerizable poly(L-lysine) (PLL) and use it to modify polyethylene glycol diacrylate (PEGDA) hydrogels for creating a better, permissive nerve cell niche. Compared with their neutral counterparts, these PLL-grafted,hydrogels greatly enhance pheochromocytoma (PC12) cell survival in encapsulation, :proliferation, and neurite growth and also promote neural progenitor cell proliferation and differentiation capacity, represented by percentages of both differentiated neurons and astrocytes. The role of efficiently controlled substrate stiffness in regulating nerve cell behavior is also investigated and a polymerizable cationic small molecule, [2-(methacryloyloxy)ethly]-trimethylammonium chloride (MTAC), is used to compare with this newly developed PLL. The results indicate that these PLL-grafted hydrogels are promising biomaterials for nerve repair and regeneration. C1 [Cai, Lei; Wang, Shanfeng] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Wang, Shanfeng] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Lu, Jie; Sheen, Volney] Harvard Univ, Sch Med, Dept Neurol, Beth Israel Deaconess Med Ctr, Boston, MA 02115 USA. RP Wang, SF (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM swang16@utk.edu RI Cai, Lei/D-1589-2013; OI Lu, Jie/0000-0001-6843-9720 FU University of Tennessee; National Science Foundation [DMR-11-06142] FX This work was supported by the start-up fund of the University of Tennessee and National Science Foundation (DMR-11-06142; to S.W.). We thank Minfeng Jin and Dr. Federico M. Harte for assistance with zeta-potential measurement. NR 37 TC 20 Z9 21 U1 4 U2 51 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1525-7797 EI 1526-4602 J9 BIOMACROMOLECULES JI Biomacromolecules PD FEB PY 2012 VL 13 IS 2 BP 342 EP 349 DI 10.1021/bm201763n PG 8 WC Biochemistry & Molecular Biology; Chemistry, Organic; Polymer Science SC Biochemistry & Molecular Biology; Chemistry; Polymer Science GA 889ZW UT WOS:000300115900007 PM 22251248 ER PT J AU Cai, L Lu, J Sheen, V Wang, SF AF Cai, Lei Lu, Jie Sheen, Volney Wang, Shanfeng TI Lubricated Biodegradable Polymer Networks for Regulating Nerve Cell Behavior and Fabricating Nerve Conduits with a Compositional Gradient SO BIOMACROMOLECULES LA English DT Article ID NEURAL STEM-CELLS; POLY(PROPYLENE FUMARATE); SURFACE; GROWTH; REGENERATION; SUBSTRATE; FRICTION; GELS; DIFFERENTIATION; BIOMATERIALS AB We present a method of tuning surface chemistry and nerve cell behavior, by photo-cross-linking methoxy poly(ethylene glycol) monoacrylate (mPEGA) with hydrophobic, semicrystalline poly(epsilon-caprolactone) diacrylate (PCLDA) at various weight compositions of mPEGA (phi(m)) from 2 to 30%. Improved surface wettability is achieved with corresponding decreases in friction, water contact angle, and capability of adsorbing proteins from cell culture media because of repulsive PEG chains tethered in the network. The responses of rat Schwann cell precursor line (SpL201), rat pheochromocytoma (PC12), and E14 mouse neural progenitor cells (NPCs) to the modified surfaces are evaluated. Nonmonotonic or parabolic dependence of cell attachment, spreading, proliferation, and differentiation on phi(m) is identified for these cell types with maximal values at phi(m) of 5-7%. In addition, NPCs demonstrate enhanced neuronal differentiated lineages on the mPEGA/PCLDA network at phi(m) of 5% with intermediate wettability and surface energy. This approach lays the foundation for fabricating heterogeneous nerve conduits with a compositional gradient along the wall thickness, which are able to promote nerve cell functions within the conduit while inhibiting cell attachment on the outer wall to prevent potential fibrous tissue formation following implantation. C1 [Cai, Lei; Wang, Shanfeng] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Wang, Shanfeng] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Lu, Jie; Sheen, Volney] Harvard Univ, Sch Med, Dept Neurol, Beth Israel Deaconess Med Ctr, Boston, MA 02115 USA. RP Wang, SF (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM swang16@utk.edu RI Cai, Lei/D-1589-2013; OI Lu, Jie/0000-0001-6843-9720 FU University of Tennessee; National Science Foundation [DMA-11-06142] FX This work was supported by the startup fund of the University of Tennessee and National Science Foundation (DMA-11-06142) (to SW.). We thank Xiaoming Jiang and Dr. Bin Zhao in the Department of Chemistry for the help with contact angle measurements and Dr. Anthony J. Windebank and Jarred Nesbitt at Mayo Clinic for supplying rat SpL201 cells. NR 43 TC 10 Z9 10 U1 3 U2 39 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1525-7797 J9 BIOMACROMOLECULES JI Biomacromolecules PD FEB PY 2012 VL 13 IS 2 BP 358 EP 368 DI 10.1021/bm201372u PG 11 WC Biochemistry & Molecular Biology; Chemistry, Organic; Polymer Science SC Biochemistry & Molecular Biology; Chemistry; Polymer Science GA 889ZW UT WOS:000300115900009 PM 22206477 ER PT J AU Klobukowski, ER Angelici, RJ Woo, LK AF Klobukowski, Erik R. Angelici, Robert J. Woo, L. Keith TI Bulk Gold-Catalyzed Oxidations of Amines and Benzyl Alcohol Using Amine N-Oxides as Oxidants SO CATALYSIS LETTERS LA English DT Article DE Gold; Oxidative-dehydrogenation; Catalysis; Amine N-oxide; Imine; Amine; Oxidation; Alcohol ID NON-NANOGOLD CATALYSIS; AEROBIC OXIDATION; SECONDARY-AMINES; SUPPORTED GOLD; IMINES; ISOCYANIDES; NANOPARTICLES; CHEMISTRY; OXYGEN; METAL AB Bulk gold powder (similar to 50 mu m) catalyzes the oxidative dehydrogenation of amines to give imines using amine N-oxides (R3N-O) as the oxidant. The reaction of dibenzylamine (PhCH2-NH-CH2Ph) with N-methylmorpholine N-oxide (NMMO) in the presence of gold powder at 60 A degrees C produced N-benzylidenebenzylamine (PhCH=N-CH2Ph) in 96% yield within 24 h. Benzyl alcohol was oxidized by NMMO to benzaldehyde in > 60% yield in the presence of gold powder. Although O-2 was previously shown to oxidize amines in the presence of bulk gold, it is surprising that gold is also capable of catalyzing the oxidation of amines using amine oxides, which are chemically so different from O-2. C1 [Klobukowski, Erik R.; Angelici, Robert J.; Woo, L. Keith] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Klobukowski, Erik R.; Angelici, Robert J.; Woo, L. Keith] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Angelici, RJ (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM angelici@iastate.edu; kwoo@iastate.edu FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES) [DE-AC0207CH11358]; Iowa State University; Ames Laboratory; NSF [CHE-0809901] FX This research was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES), under contract No. DE-AC0207CH11358 with Iowa State University, the Ames Laboratory Director's Fund, and NSF CHE-0809901. NR 34 TC 10 Z9 10 U1 4 U2 28 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD FEB PY 2012 VL 142 IS 2 BP 161 EP 167 DI 10.1007/s10562-011-0758-0 PG 7 WC Chemistry, Physical SC Chemistry GA 887IM UT WOS:000299920100002 ER PT J AU Bradley, SA Sinkler, W Blom, DA Bigelow, W Voyles, PM Allard, LF AF Bradley, Steven A. Sinkler, Wharton Blom, Douglas A. Bigelow, Wilbur Voyles, Paul M. Allard, Lawrence F. TI Behavior of Pt Atoms on Oxide Supports During Reduction Treatments at Elevated Temperatures, Characterized by Aberration Corrected Stem Imaging SO CATALYSIS LETTERS LA English DT Article DE Aberration-corrected electron microscopy; High-angle annular dark-field microscopy; Scanning transmission electron microscopy; Metal support interaction ID ELECTRON-MICROSCOPY; PLATINUM CATALYSTS; Z-CONTRAST; CHEMISTRY; CLUSTERS AB Aberration-corrected scanning transmission electron microscopy at the sub-ngstrom resolution allows imaging the structure of catalytic materials at the single atom level and permits fundamental studies of the behavior of heavy metal catalytic species as a result of elevated temperature gas-treatments. The present study is aimed at understanding the development of clusters and nanoparticles of Pt on gamma-alumina during reduction treatments of a pre-oxidized highly dispersed catalyst. A special built ex situ reactor and a specimen holder allowing cyclic anaerobic transfer between the reactor and microscope were used for the study. The number of atoms in a nascent cluster can be determined along with the general shape of the cluster. Reduction experiments without air exposure of the sample showed that although clusters are formed at 500 A degrees C, many Pt atoms are not associated with the cluster and are still dispersed on the catalyst support. After a 700 A degrees C reduction, all of the Pt atoms are associated with the clusters. Movement of the clusters on the catalyst support is different depending upon the catalyst support. Aberration-corrected scanning transmission electron microscopy at the sub-ngstrom resolution allows imaging the structure of catalytic materials at the single atom level and permits fundamental studies of the behavior of heavy metal catalytic species as a result of elevated temperature gas-treatments. The present study is aimed at understanding the development of clusters and nanoparticles of Pt on gamma-alumina during reduction treatments of a pre-oxidized highly dispersed catalyst. A special built ex situ reactor and a specimen holder allowing cyclic anaerobic transfer between the reactor and microscope were used for the study. The number of atoms in a nascent cluster can be determined along with the general shape of the cluster. Reduction experiments without air exposure of the sample showed that although clusters are formed at 500 A degrees C, many Pt atoms are not associated with the cluster and are still dispersed on the catalyst support. After a 700 A degrees C reduction, all of the Pt atoms are associated with the clusters. Movement of the clusters on the catalyst support is different depending upon the catalyst support. C1 [Bradley, Steven A.; Sinkler, Wharton] UOP LLC Honeywell Co, Des Plaines, IL USA. [Blom, Douglas A.] Univ S Carolina, EM Ctr, Columbia, SC 29208 USA. [Bigelow, Wilbur] Univ Michigan, Ann Arbor, MI 48109 USA. [Voyles, Paul M.] Univ Wisconsin, Madison, WI USA. [Allard, Lawrence F.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Bradley, SA (reprint author), UOP LLC Honeywell Co, Des Plaines, IL USA. EM steven.bradley@uop.com OI Voyles, Paul/0000-0001-9438-4284 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy FX Microscopy research at the Oak Ridge National Laboratory High Temperature Materials Laboratory was sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program. The authors also thank the University of Wisconsin-Madison for the use of the Titan 80-300 aberration corrected electron microscope. NR 20 TC 17 Z9 18 U1 3 U2 50 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD FEB PY 2012 VL 142 IS 2 BP 176 EP 182 DI 10.1007/s10562-011-0756-2 PG 7 WC Chemistry, Physical SC Chemistry GA 887IM UT WOS:000299920100004 ER PT J AU Wang, CM Luo, HM Li, HR Zhu, X Yu, B Dai, S AF Wang, Congmin Luo, Huimin Li, Haoran Zhu, Xiang Yu, Bo Dai, Sheng TI Tuning the Physicochemical Properties of Diverse Phenolic Ionic Liquids for Equimolar CO2 Capture by the Substituent on the Anion SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE absorption; carbon dioxide; ionic liquids; phenols; substituent effects ID CARBON-DIOXIDE; IONOTHERMAL SYNTHESIS; ABSORPTION; CATALYSIS; SO2; SOLVENTS; COMPLEXATION; SELECTIVITY; SOLUBILITY; CHEMISTRY AB Phenolic ionic liquids for the efficient and reversible capture of CO2 were designed and prepared from phosphonium hydroxide and substituted phenols. The electron-withdrawing or electron-donating ability, position, and number of the substituents on the anion of these ionic liquids were correlated with the physicochemical properties of the ionic liquids. The results show that the stability, viscosity, and CO2-capturing ability of these ionic liquids were significantly affected by the substituents. Furthermore, the relationship between the decomposition temperature, the CO2-absorption capacity, and the basicity of these ionic liquids was quantitatively correlated and further rationalized by theoretical calculation. Indeed, these ionic liquids showed good stability, high absorption capacity, and low absorption enthalpy for CO2 capture. This method, which tunes the physicochemical properties by making use of substituent effects in the anion of the ionic liquid, is important for the design of highly efficient and reversible methods for CO2-capture. This CO2 capture process using diverse phenolic ionic liquids is a promising potential method for CO2 absorption with both high absorption capacity and good reversibility. C1 [Wang, Congmin; Li, Haoran] Zhejiang Univ, Dept Chem, Hangzhou 310027, Peoples R China. [Wang, Congmin; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Zhu, Xiang; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37966 USA. [Luo, Huimin; Yu, Bo] Oak Ridge Natl Lab, Nucl Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Wang, CM (reprint author), Zhejiang Univ, Dept Chem, Hangzhou 310027, Peoples R China. EM chewcm@zju.edu.cn; sdai@ornl.gov RI Wang, Congmin/I-7889-2013; Zhu, Xiang/P-6867-2014; Dai, Sheng/K-8411-2015 OI Zhu, Xiang/0000-0002-3973-4998; Dai, Sheng/0000-0002-8046-3931 FU National Natural Science Foundation of China [20976151, 21176205, 20704035]; Fundamental Research Funds of the Central Universities; division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy FX This work was supported by the National Natural Science Foundation of China (No. 20976151, 21176205, and 20704035) and by the Fundamental Research Funds of the Central Universities. The authors also gratefully acknowledge the support of the division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy. NR 46 TC 63 Z9 64 U1 11 U2 148 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PD FEB PY 2012 VL 18 IS 7 BP 2153 EP 2160 DI 10.1002/chem.201103092 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 886EE UT WOS:000299834200034 PM 22241603 ER PT J AU Allen, B Bresnahan, J Childers, L Foster, I Kandaswamy, G Kettimuthu, R Kordas, J Link, M Martin, S Pickett, K Tuecke, S AF Allen, Bryce Bresnahan, John Childers, Lisa Foster, Ian Kandaswamy, Gopi Kettimuthu, Raj Kordas, Jack Link, Mike Martin, Stuart Pickett, Karl Tuecke, Steven TI Software as a Service for Data Scientists SO COMMUNICATIONS OF THE ACM LA English DT Article C1 [Allen, Bryce; Childers, Lisa; Kordas, Jack; Link, Mike; Martin, Stuart; Pickett, Karl; Tuecke, Steven] Univ Chicago, Computat Inst, Argonne, IL 60439 USA. [Bresnahan, John; Childers, Lisa; Kettimuthu, Raj] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Foster, Ian; Kettimuthu, Raj] Argonne Natl Lab, Computat Inst, Argonne, IL 60439 USA. [Kandaswamy, Gopi] Tata Consultancy Serv, Los Angeles, CA USA. [Kandaswamy, Gopi] Inst Informat Sci, Los Angeles, CA USA. RP Allen, B (reprint author), Univ Chicago, Computat Inst, Argonne, IL 60439 USA. EM ballen@ci.uchicago.edu; bresnaha@mcs.anl.gov; childers@mcs.anl.gov; foster@anl.gov; gopikandaswamy@gmail.com; kettimut@mcs.anl.gov; kordas@ci.uchicago.edu; mlink@mcs.anl.gov; smartin@mcs.anl.gov; kjp@ci.uchicago.edu; tuecke@ci.uchicago.edu OI Tuecke, Steven/0000-0003-2038-2512 FU DOE [DE-AC02-06CH11357]; NSF [OCI-534113]; NIH NCRR [1 U24 RR025736-01] FX We thank Vijay Anand, Rachana Ananthakrishnan, Joshua Boverhof, Kyle Chard, Ann Chervenak, Paul Dave, Martin Feller, Daniel Gunter, Thomas Howe, Lukasz Lacinski, Steven Link, Ravi Madduri, Daniel Morgan, Michael Russell, Eugene Sadhu, Mei-Hui Su, Vas Vasiliadis, Vanamala Venkataswamy, and Andrew Zich for their work on GO, as well as many users for helpful suggestions. This work was supported in part by DOE DE-AC02-06CH11357; NSF OCI-534113; and NIH NCRR 1 U24 RR025736-01. NR 22 TC 57 Z9 57 U1 5 U2 29 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 0001-0782 EI 1557-7317 J9 COMMUN ACM JI Commun. ACM PD FEB PY 2012 VL 55 IS 2 BP 81 EP 88 DI 10.1145/2076450.2076468 PG 8 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 884UK UT WOS:000299734100027 ER PT J AU Hsieh, MY Riesen, R Thompson, K Song, W Rodrigues, A AF Hsieh, Ming-yu Riesen, Rolf Thompson, Kevin Song, William Rodrigues, Arun TI SST: A Scalable Parallel Framework for Architecture-Level Performance, Power, Area and Thermal Simulation SO COMPUTER JOURNAL LA English DT Article DE NoC; simulation framework; performance modeling; power consumption AB In this paper, we describe the integrated power, area and thermal modeling framework in the structural simulation toolkit (SST) for large-scale high performance computer simulation. It integrates various power and thermal modeling tools and computes run-time energy dissipation for core, network on chip, memory controller and shared cache. It also provides functionality to update the leakage power as temperature changes. We illustrate the utilization of the framework by applying it to explore interconnect options in manycore systems with consideration of temperature variation and leakage feedback. We compare power, energy-delay-area product (EDAP) and energy-delay product (EDP) of four manycore configurations-1 core, 2 cores, 4 cores and 8 cores per cluster. Results from simulation with or without consideration of temperature variation both show that the 4-core per cluster configuration has the best EDAP and EDP. Even so, considering that temperature variation increases total power dissipation, we demonstrate the importance of considering temperature variation in the design flow. With this power, area and thermal modeling capability, the SST can be used for hardware/software co-design of future exascale systems. C1 [Hsieh, Ming-yu; Rodrigues, Arun] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Riesen, Rolf] IBM Res, Dublin, Ireland. [Thompson, Kevin] New Mexico State Univ, Dept EE, Las Cruces, NM 88003 USA. [Song, William] Georgia Inst Technol, Dept ECE, Atlanta, GA 30332 USA. RP Hsieh, MY (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM myhsieh@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; DOE Office of Advanced Scientific Computing FX Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.; This project is supported by the DOE NNSA Advanced Simulation and Computing program, and the DOE Office of Advanced Scientific Computing. NR 33 TC 2 Z9 2 U1 0 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0010-4620 J9 COMPUT J JI Comput. J. PD FEB PY 2012 VL 55 IS 2 BP 181 EP 191 DI 10.1093/comjnl/bxr069 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 888ZD UT WOS:000300042300005 ER PT J AU Budanur, S Mueller, F Gamblin, T AF Budanur, Sandeep Mueller, Frank Gamblin, Todd TI Memory Trace Compression and Replay for SPMD Systems Using Extended PRSDs SO COMPUTER JOURNAL LA English DT Article ID CODE AB Concurrency levels in large-scale supercomputers are rising exponentially, and shared-memory nodes with hundreds of cores and non-uniform memory access latencies are expected within the next decade. However, even current petascale systems with tens of cores per node suffer from memory bottlenecks. As core counts increase, memory issues will become critical for the performance of large-scale supercomputers. Trace analysis tools are thus vital for diagnosing the root causes of memory problems. However, existing memory tracing tools are expensive due to prohibitively large trace sizes, or they collect only statistical summaries and omit potentially valuable information. In this paper, we present ScalaMemTrace, a novel technique for collecting memory traces in a scalable manner. ScalaMemTrace builds on prior trace methods with aggressive compression techniques to allow lossless representation of memory traces for dense algebraic kernels, with near-constant trace size irrespective of the problem size or the number of threads. We further introduce a replay mechanism for ScalaMemTrace traces, and discuss the results of our prototype implementation on the x86_64 architecture. C1 [Budanur, Sandeep; Mueller, Frank] N Carolina State Univ, Raleigh, NC 27695 USA. [Gamblin, Todd] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Mueller, F (reprint author), N Carolina State Univ, Raleigh, NC 27695 USA. EM mueller@cs.ncsu.edu FU NSF [0410203, 0429653, 0237570, 0937908, 0958311]; U. S. Department of Energy by University of California Lawrence Livermore National Laboratory [DE-AC05-00OR22725, W-7405-Eng-48, DE-AC52-07NA27344, LLNL-JRNL-486132] FX This work was supported in part by NSF grants 0410203, 0429653, 0237570 (CAREER), 0937908 and 0958311. Part of this work was performed under the auspices of the U. S. Department of Energy by University of California Lawrence Livermore National Laboratory under contracts DE-AC05-00OR22725, W-7405-Eng-48, and DE-AC52-07NA27344 and LLNL-JRNL-486132. NR 31 TC 2 Z9 2 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0010-4620 EI 1460-2067 J9 COMPUT J JI Comput. J. PD FEB PY 2012 VL 55 IS 2 BP 206 EP 217 DI 10.1093/comjnl/bxr071 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 888ZD UT WOS:000300042300007 ER PT J AU Logue, JM Price, PN Sherman, MH Singer, BC AF Logue, Jennifer M. Price, Phillip N. Sherman, Max H. Singer, Brett C. TI A Method to Estimate the Chronic Health Impact of Air Pollutants in US Residences SO ENVIRONMENTAL HEALTH PERSPECTIVES LA English DT Article DE air toxics; criteria pollutants; DALYs; exposure; impact assessment; indoor air pollutants; indoor air quality ID ADJUSTED LIFE-YEARS; LONG-TERM EXPOSURE; UNITED-STATES; POLLUTION; PARTICULATE; DISEASE; MORTALITY; BENEFITS; BURDEN; PM2.5 AB BACKGROUND: Indoor air pollutants (IAPs) cause multiple health impacts. Prioritizing mitigation options that differentially affect individual pollutants and comparing IAPs with other environmental health hazards require a common metric of harm. OBJECTIVES: Our objective was to demonstrate a methodology to quantify and compare health impacts from IAPs. The methodology is needed to assess population health impacts of large-scale initiatives-including energy efficiency upgrades and ventilation standards-that affect indoor air quality (IAQ). METHODS: Available disease incidence and disease impact models for specific pollutant disease combinations were synthesized with data on measured concentrations to estimate the chronic heath impact, in disability-adjusted life-years (DALYs) lost, due to inhalation of a subset of IAPs in U.S. residences. Model results were compared with independent estimates of DALYs lost due to disease. RESULTS: Particulate matter <= 2.5 mu m in aerodynamic diameter (PM2.5), acrolein, and formaldehyde accounted for the vast majority of DALY losses caused by IAPs considered in this analysis, with impacts on par or greater than estimates for secondhand tobacco smoke and radon. Confidence intervals of DALYs lost derived from epidemiology-based response functions are tighter than those derived from toxicology-based, interspecies extrapolations. Statistics on disease incidence in the United States indicate that the upper-bound confidence interval for aggregate TAP harm is implausibly high. CONCLUSIONS: The approach demonstrated in this study may be used to assess regional and national initiatives that affect IAQ at the population level. Cumulative health impacts from inhalation in U.S. residences of the IAPs assessed in this study are estimated at 400-1,100 DALYs lost annually per 100,000 persons. C1 [Logue, Jennifer M.; Price, Phillip N.; Sherman, Max H.; Singer, Brett C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Logue, JM (reprint author), 1 Cyclotron Rd,MS 90R3083, Berkeley, CA 94720 USA. EM JMLogue@lbl.gov RI Wang, Linden/M-6617-2014 FU U.S. Department of Energy; Office of Energy Efficiency and Renewable Energy under Department of Energy [DE-AC02-05CH11231]; U.S. Department of Housing; Urban Development Office of Healthy Homes and Lead Hazard Control [I-PHI-01070]; U.S. Environmental Protection Agency Office of Air and Radiation [DW-89-92322201-0]; California Energy Commission [500-08-061] FX Funding was provided by the U.S. Department of Energy Building Technologies Program, Office of Energy Efficiency and Renewable Energy under Department of Energy contract DE-AC02-05CH11231; by the U.S. Department of Housing and Urban Development Office of Healthy Homes and Lead Hazard Control through interagency agreement I-PHI-01070; by the U.S. Environmental Protection Agency Office of Air and Radiation through interagency agreement DW-89-92322201-0; and by the California Energy Commission through contract 500-08-061. NR 45 TC 40 Z9 40 U1 6 U2 82 PU US DEPT HEALTH HUMAN SCIENCES PUBLIC HEALTH SCIENCE PI RES TRIANGLE PK PA NATL INST HEALTH, NATL INST ENVIRONMENTAL HEALTH SCIENCES, PO BOX 12233, RES TRIANGLE PK, NC 27709-2233 USA SN 0091-6765 J9 ENVIRON HEALTH PERSP JI Environ. Health Perspect. PD FEB PY 2012 VL 120 IS 2 BP 216 EP 222 DI 10.1289/ehp.1104035 PG 7 WC Environmental Sciences; Public, Environmental & Occupational Health; Toxicology SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Toxicology GA 887GR UT WOS:000299915400024 PM 22094717 ER PT J AU Marchetti, F Eskenazi, B Weldon, RH Li, GL Zhang, LP Rappaport, SM Schmid, TE Xing, CH Kurtovich, E Wyrobek, AJ AF Marchetti, Francesco Eskenazi, Brenda Weldon, Rosana H. Li, Guilan Zhang, Luoping Rappaport, Stephen M. Schmid, Thomas E. Xing, Caihong Kurtovich, Elaine Wyrobek, Andrew J. TI Occupational Exposure to Benzene and Chromosomal Structural Aberrations in the Sperm of Chinese Men SO ENVIRONMENTAL HEALTH PERSPECTIVES LA English DT Article DE benzene; chromosome 1; germ cells; sperm fluorescence in situ hybridization; structural aberrations ID MULTICOLOR FISH; HEALTHY-MEN; ABNORMALITIES; WORKERS; HUMANS; ANEUPLOIDY; LEUKEMIA; MUTATION; RODENTS; COHORT AB BACKGROUND: Benzene is an industrial chemical that causes blood disorders, including acute myeloid leukemia. We previously reported that occupational exposures near the U.S. Occupational Safety and Health Administration permissible exposure limit (8 hr) of 1 ppm was associated with sperm aneuploidy. OBJECTIVE: We investigated whether occupational exposures near 1 ppm increase the incidence of sperm carrying structural chromosomal aberrations. METHODS: We applied a sperm fluorescence in situ hybridization assay to measure frequencies of sperm carrying partial chromosomal duplications or deletions of 1cen or 1p36.3 or breaks within 1cen-1q12 among 30 benzene-exposed and 11 unexposed workers in Tianjin, China, as part of the China Benzene and Sperm Study (C-BASS). Exposed workers were categorized into low-, moderate-, and high-exposure groups based on urinary benzene (medians: 2.9, 11.0, and 110.6 mu g/L, respectively). Median air benzene concentrations in the three exposure groups were 1.2, 3.7, and 8.4 ppm, respectively. RESULTS: Adjusted incidence rate ratios (IRRs) and 95% confidence intervals (CIs) for all structural aberrations combined were 1.42 (95% CI: 1.10, 1.83), 1.44 (95% CI: 1.12, 1.85), and 1.75 (95% CI: 1.36, 2.24) and for deletion of 1p36.3 alone were 4.31 (95% CI: 1.18, 15.78), 6.02 (95% CI: 1.69, 21.39), and 7.88 (95% CI: 2.21, 28.05) for men with low, moderate, and high exposure, respectively, compared with unexposed men. Chromosome breaks were significantly increased in the high-exposure group [IRR 1.49 (95% CI: 1.10, 2.02)]. CONCLUSIONS: Occupational exposures to benzene were associated with increased incidence of chromosomally defective sperm, raising concerns for worker infertility and spontaneous abortions as well as mental retardation and inherited defects in their children. Our sperm findings point to benzene as a possible risk factor fords novo 1p36 deletion syndrome. Because chromosomal aberrations in sperm can arise from defective stem cells/spermatogonia, our findings raise concerns that occupational exposure to benzene may have persistent reproductive effects in formerly exposed workers. C1 [Eskenazi, Brenda; Weldon, Rosana H.; Zhang, Luoping; Kurtovich, Elaine] Univ Calif Berkeley, CERCH, Sch Publ Hlth, Berkeley, CA 94704 USA. [Marchetti, Francesco; Schmid, Thomas E.; Wyrobek, Andrew J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Li, Guilan; Xing, Caihong] Chinese Ctr Dis Control & Prevent, Natl Inst Occupat Hlth & Poison Control, Beijing, Peoples R China. [Rappaport, Stephen M.] Univ Calif Berkeley, Ctr Exposure Biol, Sch Publ Hlth, Berkeley, CA 94704 USA. RP Eskenazi, B (reprint author), Univ Calif Berkeley, CERCH, Sch Publ Hlth, 1995 Univ Ave,Suite 265, Berkeley, CA 94704 USA. EM eskenazi@berkeley.edu OI Marchetti, Francesco/0000-0002-9435-4867 FU National Institute of Environmental Health Sciences (NIEHS); National Institutes of Health; U.S. Environmental Protection Agency (NIEHS IAG) [Y01-ES-8016-5, P42 ES04705, R03 ES015340-02]; U.S. Department of Energy by the Lawrence Livermore National Laboratory [W-7405-END-48]; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; American Petroleum Institute; American Chemistry Council FX This research was supported by the National Institute of Environmental Health Sciences (NIEHS), National Institutes of Health, and the U.S. Environmental Protection Agency (NIEHS IAG Y01-ES-8016-5, P42 ES04705, and NIEHS R03 ES015340-02). Work was performed in part under the auspices of the U.S. Department of Energy by the Lawrence Livermore National Laboratory under contract W-7405-END-48 and Lawrence Berkeley National Laboratory under contract DE-AC02-05CH11231.; S.M.R. has received consulting and expert testimony fees from law firms representing plaintiffs' cases involving exposure to benzene and has received research support from the American Petroleum Institute and the American Chemistry Council. All other authors declare they have no actual or potential competing financial interests. NR 43 TC 18 Z9 20 U1 1 U2 7 PU US DEPT HEALTH HUMAN SCIENCES PUBLIC HEALTH SCIENCE PI RES TRIANGLE PK PA NATL INST HEALTH, NATL INST ENVIRONMENTAL HEALTH SCIENCES, PO BOX 12233, RES TRIANGLE PK, NC 27709-2233 USA SN 0091-6765 J9 ENVIRON HEALTH PERSP JI Environ. Health Perspect. PD FEB PY 2012 VL 120 IS 2 BP 229 EP 234 DI 10.1289/ehp.1103921 PG 6 WC Environmental Sciences; Public, Environmental & Occupational Health; Toxicology SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Toxicology GA 887GR UT WOS:000299915400026 PM 22086566 ER PT J AU Zong, YN Zhang, B Gu, SY Lee, K Zhou, J Yao, GR Figueiredo, D Perry, K Mei, L Jin, RS AF Zong, Yinong Zhang, Bin Gu, Shenyan Lee, Kwangkook Zhou, Jie Yao, Guorui Figueiredo, Dwight Perry, Kay Mei, Lin Jin, Rongsheng TI Structural basis of agrin-LRP4-MuSK signaling SO GENES & DEVELOPMENT LA English DT Article DE crystal structure; motoneurons; neuromuscular junction; receptor tyrosine kinase; synapse; synaptogenesis ID ALTERNATIVELY SPLICED ISOFORMS; FACTOR-RECEPTOR RET; NEUROMUSCULAR-JUNCTION; EXTRACELLULAR DOMAIN; TYROSINE KINASES; NEURAL AGRIN; IN-VIVO; MUSCLE; COMPLEX; MUSK AB Synapses are the fundamental units of neural circuits that enable complex behaviors. The neuromuscular junction (NMJ), a synapse formed between a motoneuron and a muscle fiber, has contributed greatly to understanding of the general principles of synaptogenesis as well as of neuromuscular disorders. NMJ formation requires neural agrin, a motoneuron-derived protein, which interacts with LRP4 (low-density lipoprotein receptor-related protein 4) to activate the receptor tyrosine kinase MuSK (muscle-specific kinase). However, little is known of how signals are transduced from agrin to MuSK. Here, we present the first crystal structure of an agrin-LRP4 complex, consisting of two agrin-LRP4 heterodimers. Formation of the initial binary complex requires the z8 loop that is specifically present in neuronal, but not muscle, agrin and that promotes the synergistic formation of the tetramer through two additional interfaces. We show that the tetrameric complex is essential for neuronal agrin-induced acetylcholine receptor (AChR) clustering. Collectively, these results provide new insight into the agrin-LRP4-MuSK signaling cascade and NMJ formation and represent a novel mechanism for activation of receptor tyrosine kinases. C1 [Zhang, Bin; Figueiredo, Dwight; Mei, Lin] Georgia Hlth Sci Univ, Inst Mol Med & Genet, Dept Neurol, Augusta, GA 30809 USA. [Zong, Yinong; Gu, Shenyan; Lee, Kwangkook; Zhou, Jie; Yao, Guorui; Jin, Rongsheng] Sanford Burnham Med Res Inst, Ctr Neurosci Aging & Stem Cell Res, La Jolla, CA 92037 USA. [Perry, Kay] Cornell Univ, NE CAT, Dept Chem & Chem Biol, Argonne Natl Lab, Argonne, IL 60439 USA. RP Mei, L (reprint author), Georgia Hlth Sci Univ, Inst Mol Med & Genet, Dept Neurol, Augusta, GA 30809 USA. EM rjin@sanfordburnham.org; lmei@georgiahealth.edu RI Gu, Shenyan/F-5501-2011; Mei, Lin/G-8755-2012; Jin, Rongsheng/M-7797-2013; OI Jin, Rongsheng/0000-0003-0348-7363; Perry, Kay/0000-0002-4046-1704 FU National Center for Research Resources at the National Institutes of Health [RR-15301]; U.S. DOE [DE-AC02-06CH11357]; Alfred P. Sloan Research Fellowship; NIH FX We thank the staff at NE-CAT of the APS, particularly Dr. Kanagalaghatta Rajashankar, for assistance in data collection. This work is based on research conducted at the APS on the Northeastern Collaborative Access Team beamlines, which are supported by award RR-15301 from the National Center for Research Resources at the National Institutes of Health. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under contract number DE-AC02-06CH11357. This work was partly supported by the Alfred P. Sloan Research Fellowship (to R.J.) and by grants from the NIH (to L.M.). Atomic coordinates and structure factors for the agrin-LRP4V396-A737 and agrin- LRP4T353-A737 complexes have been deposited with the PDB under accession codes 3V64 and 3V65, respectively. NR 60 TC 41 Z9 45 U1 0 U2 7 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 0890-9369 J9 GENE DEV JI Genes Dev. PD FEB 1 PY 2012 VL 26 IS 3 BP 247 EP 258 DI 10.1101/gad.180885.111 PG 12 WC Cell Biology; Developmental Biology; Genetics & Heredity SC Cell Biology; Developmental Biology; Genetics & Heredity GA 890DQ UT WOS:000300125700004 PM 22302937 ER PT J AU Giangrande, SE Luke, EP Kollias, P AF Giangrande, Scott E. Luke, Edward P. Kollias, Pavlos TI Characterization of Vertical Velocity and Drop Size Distribution Parameters in Widespread Precipitation at ARM Facilities SO JOURNAL OF APPLIED METEOROLOGY AND CLIMATOLOGY LA English DT Article ID SMALL-SCALE VARIABILITY; RETRIEVAL ALGORITHM; RAINDROP SPECTRA; RADAR; REFLECTIVITY; DISDROMETER; STRATIFORM; PROFILER AB Extended, high-resolution measurements of vertical air motion and median volume drop diameter D0 in widespread precipitation from three diverse Atmospheric Radiation Measurement Program (ARM) locations [Lamont, Oklahoma, Southern Great Plains site (SGP): Niamey, Niger; and Black Forest, Germany] are presented. The analysis indicates a weak (0-10 cm(-1)) downward air motion beneath the melting layer for all three regions, a magnitude that is to within the typical uncertainty of the retrieval methods. On average, the hourly estimated standard deviation of the vertical air motion is 0.25 m s(-1) with no pronounced vertical structure. Profiles of D0 vary according to region and rainfall rate. The standard deviation of 1-min-averaged D0 profiles for isolated rainfall rate intervals is 0.3-0.4 mm. Additional insights into the form of the raindrop size distribution are provided using available dual-frequency Doppler velocity observations at SGP. The analysis suggests that gamma functions better explain paired velocity observations and radar retrievals for the Oklahoma dataset. This study will be useful in assessing uncertainties introduced in the measurement of precipitation parameters from ground-based and spaceborne remote sensors that are due to small-scale variability. C1 [Giangrande, Scott E.; Luke, Edward P.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. [Kollias, Pavlos] McGill Univ, Dept Atmospher & Ocean Sci, Montreal, PQ, Canada. RP Giangrande, SE (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Bldg 490D,Bell Ave, Upton, NY 11973 USA. EM scott.giangrande@bnl.gov RI Giangrande, Scott/I-4089-2016 OI Giangrande, Scott/0000-0002-8119-8199 FU Office of Science (BER); U.S. Department of Energy FX This research was supported by the Office of Science (BER), U.S. Department of Energy. Data were obtained from the ARM archive. We thank our anonymous reviewers for helpful suggestions. NR 33 TC 13 Z9 13 U1 1 U2 14 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1558-8424 J9 J APPL METEOROL CLIM JI J. Appl. Meteorol. Climatol. PD FEB PY 2012 VL 51 IS 2 BP 380 EP 391 DI 10.1175/JAMC-D-10-05000.1 PG 12 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 889JQ UT WOS:000300070400013 ER PT J AU Roberts, EW Cai, F Kerfeld, CA Cannon, GC Heinhorst, S AF Roberts, Evan W. Cai, Fei Kerfeld, Cheryl A. Cannon, Gordon C. Heinhorst, Sabine TI Isolation and Characterization of the Prochlorococcus Carboxysome Reveal the Presence of the Novel Shell Protein CsoS1D SO JOURNAL OF BACTERIOLOGY LA English DT Article ID MARINE CYANOBACTERIUM PROCHLOROCOCCUS; CO2 CONCENTRATING MECHANISMS; CARBONIC-ANHYDRASE; HALOTHIOBACILLUS-NEAPOLITANUS; PHYLOGENETIC ANALYSIS; OPERON PREDICTION; IDENTIFICATION; GENOME; ORGANIZATION; DIVERSITY AB Cyanobacteria, including members of the genus Prochlorococcus, contain icosahedral protein microcompartments known as carboxysomes that encapsulate multiple copies of the CO2-fixing enzyme ribulose 1,5-bisphosphate carboxylase/oxygenase (RubisCO) in a thin protein shell that enhances the catalytic performance of the enzyme in part through the action of a shell-associated carbonic anhydrase. However, the exact mechanism by which compartmentation provides a catalytic advantage to the enzyme is not known. Complicating the study of cyanobacterial carboxysomes has been the inability to obtain homogeneous carboxysome preparations. This study describes the first successful purification and characterization of carboxysonaes from the marine cyanobacterium Prochlorococcus marinus MED4. Because the isolated P. marinus MED4 carboxysomes were free from contaminating membrane proteins, their protein complement could be assessed. In addition to the expected shell proteins, the CsoS1D protein that is not encoded by the canonical cso gene clusters of a-cyanobacteria was found to be a low-abundance shell component. This finding and supporting comparative genomic evidence have important implications for carboxysome composition, structure, and function. Our study indicates that carboxysome composition is probably more complex than was previously assumed based on the gene complements of the classical cso gene clusters. C1 [Roberts, Evan W.; Cannon, Gordon C.; Heinhorst, Sabine] Univ So Mississippi, Dept Chem & Biochem, Hattiesburg, MS 39406 USA. [Cai, Fei; Kerfeld, Cheryl A.] DOE Joint Genome Inst, Walnut Creek, CA USA. [Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Sci, Berkeley, CA 94720 USA. RP Heinhorst, S (reprint author), Univ So Mississippi, Dept Chem & Biochem, Hattiesburg, MS 39406 USA. EM sabine.heinhorst@usm.edu FU NSF [MCB 0818680, MCB 0851070] FX This work was supported by NSF grants MCB 0818680 (to G.C.C. and S.H.) and MCB 0851070 (to C.A.K., G.C.C., and S.H.). NR 45 TC 26 Z9 28 U1 1 U2 21 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD FEB PY 2012 VL 194 IS 4 BP 787 EP 795 DI 10.1128/JB.06444-11 PG 9 WC Microbiology SC Microbiology GA 887XR UT WOS:000299966000005 PM 22155772 ER PT J AU Peng, ZM Somodi, F Helveg, S Kisielowski, C Specht, P Bell, AT AF Peng, Zhenmeng Somodi, Ferenc Helveg, Stig Kisielowski, Christian Specht, Petra Bell, Alexis T. TI High-resolution in situ and ex situ TEM studies on graphene formation and growth on Pt nanoparticles SO JOURNAL OF CATALYSIS LA English DT Article DE Platinum; Nanoparticles; Graphene; In situ experiment; High-resolution electron microscopy ID SUPPORTED-PLATINUM CATALYST; CARBON NANOTUBE GROWTH; RAMAN-SPECTROSCOPY; NI CATALYSTS; DEHYDROGENATION; GRAPHITE; PT(111); DECOMPOSITION; HYDROGENOLYSIS; ISOMERIZATION AB The formation of graphene layers on MgO-supported Pt nanoparticles was studied by both in situ and ex situ high-resolution transmission electron microscopy (HRTEM). The HRTEM images indicate that graphene sheets grow from steps in the surface of Pt nanoparticles. The subsequent morphology of the graphene sheets is a strong function of Pt particle size. For particles less than similar to 6 nm in diameter, the graphene sheets form nanotubes or move from the surface of Pt particles and accumulate on the MgO support. Complete particle envelopment by multiple graphene layers was only observed for particle greater than similar to 6 nm in diameter. The observed dependence of graphene morphology on Pt nanoparticle size and shape is associated with the strain energy generated between graphene layers during their growth and the overall free energy of the graphene-Pt system. (C) 2011 Elsevier Inc. All rights reserved. C1 [Peng, Zhenmeng; Somodi, Ferenc; Bell, Alexis T.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Kisielowski, Christian] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. [Specht, Petra] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Helveg, Stig] Haldor Topsoe Res Labs, DK-2800 Lyngby, Denmark. RP Bell, AT (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. EM bell@cchem.berkeley.edu RI Peng, Zhenmeng/B-4278-2010; Somodi, Ferenc/O-6527-2014; OI Peng, Zhenmeng/0000-0003-1230-6800; Bell, Alexis/0000-0002-5738-4645 FU Chevron Energy Technology Company; National Center for Electron Microscopy, Lawrence Berkeley Lab; US Department of Energy [DE-AC02-05CH11231] FX The authors express their appreciation for the opportunity to obtain in situ HRTEM images at Haldor Topsoe A/S and to Sven Ullmann for his contribution to this effort. This work was supported by a grant from Chevron Energy Technology Company. The authors acknowledge support of the National Center for Electron Microscopy, Lawrence Berkeley Lab, which is supported by the US Department of Energy under Contract DE-AC02-05CH11231. NR 57 TC 48 Z9 48 U1 3 U2 129 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 J9 J CATAL JI J. Catal. PD FEB PY 2012 VL 286 BP 22 EP 29 DI 10.1016/j.jcat.2011.10.008 PG 8 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 890JQ UT WOS:000300141300004 ER PT J AU Gounder, R Jones, AJ Carr, RT Iglesia, E AF Gounder, Rajamani Jones, Andrew J. Carr, Robert T. Iglesia, Enrique TI Solvation and acid strength effects on catalysis by faujasite zeolites SO JOURNAL OF CATALYSIS LA English DT Article DE Acid strength; Faujasite; Isobutane; Sodium; Solvation ID STEAMED Y-ZEOLITES; FRAMEWORK ALUMINUM CONTENT; ENHANCED CRACKING ACTIVITY; AMORPHOUS SILICA-ALUMINA; CRYSTALLINE ALUMINOSILICATES; H-USY; ISOBUTANE CRACKING; ALKANE SORPTION; SITES; CHEMISTRY AB Kinetic, spectroscopic, and chemical titration data indicate that differences in monomolecular isobutane cracking and dehydrogenation and methanol dehydration turnover rates (per H+) among FAU zeolites treated thermally with steam (H-USY) and then chemically with ammonium hexafluorosilicate (CD-HUSY) predominantly reflect differences in the size and solvating properties of their supercage voids rather than differences in acid strength. The number of protons on a given sample was measured consistently by titrations with Na+, with CH3 groups via reactions of dimethyl ether, and with 2,6-di-tert-butylpyridine during methanol dehydration catalysis; these titration values were also supported by commensurate changes in acidic OH infrared band areas upon exposure to titrant molecules. The number of protons, taken as the average of the three titration methods, was significantly smaller than the number of framework Al atoms (Al-f) obtained from X-ray diffraction and Al-27 magic angle spinning nuclear magnetic resonance spectroscopy on H-USY (0.35 H+/Al-f) and CD-HUSY (0.69 H+/Al-f). These data demonstrate that the ubiquitous use of Alf sites as structural proxies for active H+ sites in zeolites can be imprecise, apparently because distorted Al structures that are not associated with acidic protons are sometimes detected as Alf sites. Monomolecular isobutane cracking and dehydrogenation rate constants, normalized non-rigorously by the number of Alf species, decreased with increasing Na+ content on both H-USY and CD-HUSY samples and became undetectable at sub-stoichiometric exchange levels (0.32 and 0.72 Na+/Al-f ratios, respectively), an unexpected finding attributed incorrectly in previous studies to the presence of minority "super-acidic" sites. These rate constants, when normalized rigorously by the number of residual H+ sites were independent of Na+ content on both H-USY and CD-HUSY samples, reflecting the stoichiometric replacement of protons that are uniform in reactivity by Na+ cations. Monomolecular isobutane cracking and dehydrogenation rate constants (per H+; 763 K), however, were higher on H-USY than CD-HUSY (by a factor of 1.4). Equilibrium constants for the formation of protonated methanol dimers via adsorption of gaseous methanol onto adsorbed methanol monomers, determined from kinetic studies of methanol dehydration to dimethyl ether (433 K), were also higher on H-USY than CD-HUSY (by a factor of 2.1). These larger constants predominantly reflect stronger dispersive interactions in H-USY, consistent with its smaller supercage voids that result from the occlusion of void space by extraframework Al (Al-ex) residues. These findings appear to clarify enduring controversies about the mechanistic interpretation of the effects of Na+ and Al-ex species on the catalytic reactivity of FAU zeolites. They also illustrate the need to normalize rates by the number of active sites instead of more convenient but less accurate structural proxies for such sites. (C) 2011 Elsevier Inc. All rights reserved. C1 [Gounder, Rajamani; Jones, Andrew J.; Carr, Robert T.; Iglesia, Enrique] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Iglesia, Enrique] EO Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Iglesia, E (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM iglesia@berkeley.edu RI Iglesia, Enrique/D-9551-2017 OI Iglesia, Enrique/0000-0003-4109-1001 FU Chevron Energy Technology Company; Chemical Sciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy [DE-FG02-03ER15479]; Department of Energy's Office of Biological and Environmental Research FX We thank Dr. Stacey I. Zones (Chevron) and Prof. Raul F. Lobo (Univ. of Delaware) for helpful technical discussions. We also thank Roger F. Vogel (Chevron) for preparing the CD-USY sample, Dr. Sonjong Hwang (Caltech) for the 27Al MAS NMR data and Dr. Jinyi Han (Chevron) for the X-ray diffractograms. We also acknowledge with thanks financial support from the Chevron Energy Technology Company for these studies. The financial support from the Chemical Sciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy under grant number DE-FG02-03ER15479 and the supercomputing time from the Environmental Molecular Science 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, is also gratefully acknowledged. NR 50 TC 30 Z9 30 U1 9 U2 108 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 J9 J CATAL JI J. Catal. PD FEB PY 2012 VL 286 BP 214 EP 223 DI 10.1016/j.jcat.2011.11.002 PG 10 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 890JQ UT WOS:000300141300022 ER PT J AU Pazmino, JH Shekhar, M Williams, WD Akatay, MC Miller, JT Delgass, WN Ribeiro, FH AF Pazmino, Jorge H. Shekhar, Mayank Williams, W. Damion Akatay, M. Cem Miller, Jeffrey T. Delgass, W. Nicholas Ribeiro, Fabio H. TI Metallic Pt as active sites for the water-gas shift reaction on alkali-promoted supported catalysts SO JOURNAL OF CATALYSIS LA English DT Article DE Alkali promotion; Platinum; XANES; Water-gas shift; Na ID PREFERENTIAL CO OXIDATION; HYDROGEN-RICH STREAM; CHEMISORPTIVE PROPERTIES; H BOND; FORMATE; ADSORPTION; POTASSIUM; PLATINUM; OXYGEN; DESORPTION AB The promotional effect of alkali additives (Na, Li, and K) in the low-temperature (200-250 degrees C) water-gas shift reaction was studied for Pt/Al2O3 and Pt/TiO2 catalysts. Sodium showed the highest promotion of the turnover frequency (TOF), normalized by Pt on the surface. The TOF at 250 degrees C and 6.8% CO, 22% H2O, 37% H-2, and 8.5% CO2 was enhanced by Na up to 107 times (0.7 s(-1)) that of Pt/Al2O3 (7 x 10(-3) s(-1)) and up to four times (0.7 s(-1)) the TOF of Pt/P25 TiO2 (0.2 s(-1)). The addition of Na on Pt/Al2O3 and Pt/TiO2 changed the reaction orders, with H2O order increasing by similar to 0.3, H-2 order increasing by 0.1-0.3, CO2 order decreasing by 0.2, and CO order decreasing by 0.1-0.2. Together with an approximately 20 kJ mole(-1) increase in E-a, these data suggest Na creates the same type of active sites on both supports. X-ray absorption spectroscopy (XAS) experiments under WGS conditions indicate that the formation of Pt oxides is dependent on the catalyst preparation method, the type, and the loading of alkali. On catalysts where Pt oxides were observed, no correlation was found between the TOF and the fraction of PtO. The series of Pt/Na/Al2O3 catalysts with the highest TOF showed fully reduced Pt under WGS conditions. Our results show that the promotion by alkali is caused by the modification of the properties of the support and that the active Pt remains in the metallic state. Thus, for metallic catalysts, alkali is added to the growing list of promoters that modify the support to improve water activation and the WGS reaction rate. (C) 2011 Elsevier Inc. All rights reserved. C1 [Pazmino, Jorge H.; Shekhar, Mayank; Williams, W. Damion; Delgass, W. Nicholas; Ribeiro, Fabio H.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. [Akatay, M. Cem] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. [Miller, Jeffrey T.] Argonne Natl Lab, Div Chem Technol, Argonne, IL 60439 USA. RP Ribeiro, FH (reprint author), Purdue Univ, Sch Chem Engn, 480 Stadium Mall Dr, W Lafayette, IN 47907 USA. EM fabio@purdue.edu RI ID, MRCAT/G-7586-2011; OI Ribeiro, Fabio/0000-0001-7752-461X FU US Department of Energy, Office of Basic Energy Sciences [DE-FG02-03ER15466, DE-AC02-06CH11357]; Department of Energy; MRCAT member institutions; US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences; US Department of Energy [DE-AC02-06CH11357] FX The authors would like to thank Prof. Maria Flytzani-Stephanopoulos for instructive discussions and for sharing results with us. Support for this research was provided by the US Department of Energy, Office of Basic Energy Sciences, through the Catalysis Science Grant No. DE-FG02-03ER15466. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Basic Energy Sciences, under contract No. DE-AC02-06CH11357. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. Partial funding for JTM was supported by US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Argonne is operated by UChicago Argonne, LLC, for the US Department of Energy under contract DE-AC02-06CH11357. NR 31 TC 37 Z9 37 U1 7 U2 115 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 J9 J CATAL JI J. Catal. PD FEB PY 2012 VL 286 BP 279 EP 286 DI 10.1016/j.jcat.2011.11.017 PG 8 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 890JQ UT WOS:000300141300029 ER PT J AU He, LL Piper, A Meilleur, F Hernandez, R Heller, WT Brown, DT AF He, Lilin Piper, Amanda Meilleur, Flora Hernandez, Raquel Heller, William T. Brown, Dennis T. TI Conformational Changes in Sindbis Virus Induced by Decreased pH Are Revealed by Small-Angle Neutron Scattering SO JOURNAL OF VIROLOGY LA English DT Article ID SEMLIKI-FOREST-VIRUS; BUSHY STUNT VIRUS; TRANSMEMBRANE DOMAIN; CONTRAST VARIATION; PROTEIN COMPLEXES; MEMBRANE-FUSION; RNA; ALPHAVIRUSES; ORGANIZATION; INFECTIVITY AB Alphaviruses, such as Sindbis virus, undergo dramatic changes in three-dimensional structure upon exposure to low pH, and such exposure can establish conditions allowing fusion of the virus membrane with a cell plasma membrane upon return to neutral pH. While exposure to low pH is not required for entry of Sindbis virus into vertebrate or invertebrate cells, the conformational changes occurring at low pH may mimic those occurring upon virus-receptor interaction. Here, we employed small-angle neutron scattering with contrast variation to probe how the structure of a mammalian-grown Sindbis virus responds to moderately acidic pH. Several changes took place throughout the virion structure when the pH decreased from 7.2 to 6.4. Specifically, the RNA in the virion core underwent a conformational change. Additionally, the protein was redistributed. A significant amount of protein moved from the layer containing the lipid bilayer to the exterior of the virion. The results improve our understanding of the pH-driven alteration of Sindbis virus structure. C1 [Piper, Amanda; Meilleur, Flora; Hernandez, Raquel; Brown, Dennis T.] N Carolina State Univ, Dept Mol & Struct Biochem, Raleigh, NC 27695 USA. [He, Lilin; Heller, William T.] Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN USA. [He, Lilin; Meilleur, Flora; Heller, William T.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN USA. RP Brown, DT (reprint author), N Carolina State Univ, Dept Mol & Struct Biochem, Raleigh, NC 27695 USA. EM dennis_brown@ncsu.edu OI He, Lilin/0000-0002-9560-8101 FU Oak Ridge National Laboratory (ORNL); Foundation for Research, Carson City, NV; Office of Biological and Environmental Research [FWP ERKP291]; U.S. Department of Energy [DE-AC05-00OR22725] FX Research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL). D.T.B. and R.H. are supported by The Foundation for Research, Carson City, NV. This research at Oak Ridge National Laboratory's Center for Structural Molecular Biology (FWP ERKP291) was supported by the Office of Biological and Environmental Research, using facilities supported by the U.S. Department of Energy, managed by UT-Battelle, LLC, under contract no. DE-AC05-00OR22725. NR 41 TC 9 Z9 9 U1 1 U2 9 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 FEB PY 2012 VL 86 IS 4 BP 1982 EP 1987 DI 10.1128/JVI.06569-11 PG 6 WC Virology SC Virology GA 886OA UT WOS:000299862500008 PM 22156534 ER PT J AU Karlstrom, KE Coblentz, D Dueker, K Ouimet, W Kirby, E Van Wijk, J Schmandt, B Kelley, S Lazear, G Crossey, LJ Crow, R Aslan, A Darling, A Aster, R MacCarthy, J Hansen, SM Stachnik, J Stockli, DF Garcia, RV Hoffman, M McKeon, R Feldman, J Heizler, M Donahue, MS AF Karlstrom, K. E. Coblentz, D. Dueker, K. Ouimet, W. Kirby, E. Van Wijk, J. Schmandt, B. Kelley, S. Lazear, G. Crossey, L. J. Crow, R. Aslan, A. Darling, A. Aster, R. MacCarthy, J. Hansen, S. M. Stachnik, J. Stockli, D. F. Garcia, R. V. Hoffman, M. McKeon, R. Feldman, J. Heizler, M. Donahue, M. S. CA CREST Working Grp TI Mantle-driven dynamic uplift of the Rocky Mountains and Colorado Plateau and its surface response: Toward a unified hypothesis SO LITHOSPHERE LA English DT Article ID WESTERN UNITED-STATES; RIO-GRANDE RIFT; STRATH-TERRACE FORMATION; FISSION-TRACK ANALYSIS; SMALL-SCALE CONVECTION; TIBETAN PLATEAU; TRANSITION-ZONE; RIVER INCISION; NORTH-AMERICA; NORTHWESTERN COLORADO AB The correspondence between seismic velocity anomalies in the crust and mantle and the differential incision of the continental-scale Colorado River system suggests that significant mantle-to-surface interactions can take place deep within continental interiors. The Colorado Rocky Mountain region exhibits low-seismic-velocity crust and mantle associated with atypically high (and rough) topography, steep normalized river segments, and areas of greatest differential river incision. Thermochronologic and geologic data show that regional exhumation accelerated starting ca. 6-10 Ma, especially in regions underlain by low-velocity mantle. Integration and synthesis of diverse geologic and geophysical data sets support the provocative hypothesis that Neogene mantle convection has driven long-wavelength surface deformation and tilting over the past 10 Ma. Attendant surface uplift on the order of 500-1000 m may account for similar to 25%-50% of the current elevation of the region, with the rest achieved during Laramide and mid-Tertiary uplift episodes. This hypothesis highlights the importance of continued multidisciplinary tests of the nature and magnitude of surface responses to mantle dynamics in intraplate settings. C1 [Karlstrom, K. E.; Crossey, L. J.; Crow, R.; Darling, A.; Donahue, M. S.] Univ New Mexico, Dept Earth & Planetary Sci, Albuquerque, NM 87131 USA. [Coblentz, D.; MacCarthy, J.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Dueker, K.; Hansen, S. M.; Stachnik, J.] Univ Wyoming, Dept Geol & Geophys, Laramie, WY 82071 USA. [Ouimet, W.; Kirby, E.] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. [Van Wijk, J.] Dept Earth & Atmospher Sci, Houston, TX 77204 USA. [Schmandt, B.] 1272 Univ Oregon, Dept Geol Sci, Eugene, OR 97403 USA. [Kelley, S.; Heizler, M.] New Mexico Bur Geol & Mineral Resources, Socorro, NM 87801 USA. [Lazear, G.] CEDAREDGE, Cederedge, CO 81413 USA. [Aslan, A.] Colorado Mesa Univ, Dept Phys & Environm Sci, Colorado Springs, CO 81501 USA. [Aster, R.; MacCarthy, J.; Garcia, R. V.; Feldman, J.] New Mexico Inst Min & Technol, Geophys Res Ctr, Socorro, NM 87801 USA. [Aster, R.; MacCarthy, J.; Garcia, R. V.; Feldman, J.] New Mexico Inst Min & Technol, Dept Earth & Environm Sci, Socorro, NM 87801 USA. [Stockli, D. F.; Hoffman, M.] Univ Kansas, Dept Geol, Lawrence, KS 66045 USA. [McKeon, R.] Montana State Univ, Dept Earth Sci, Bozeman, MT 59717 USA. [Ouimet, W.] Univ Connecticut, Dept Geog, Storrs, CT 06269 USA. [Ouimet, W.] Univ Connecticut, Ctr Integrat Geosci, Storrs, CT 06269 USA. [Darling, A.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. [Stockli, D. F.; Feldman, J.] Univ Texas Austin, Dept Geol Sci, Austin, TX 78712 USA. [McKeon, R.] Lehigh Univ, Bethlehem, PA 18015 USA. RP Karlstrom, KE (reprint author), Univ New Mexico, Dept Earth & Planetary Sci, Albuquerque, NM 87131 USA. EM kek1@unm.edu RI Crossey, Laura/C-2033-2008; Stockli, Daniel/N-8868-2015; Aster, Richard/E-5067-2013 OI Crossey, Laura/0000-0001-6237-8023; Stockli, Daniel/0000-0001-7652-2129; Aster, Richard/0000-0002-0821-4906 FU National Science Foundation [EAR-0607808, EAR-0552316, EAR-0711546, EAR-0838575]; Institute of Geophysics and Planetary Physics at Los Alamos National Laboratory; NSF Office of Polar Programs; Department of Energy (DOE) National Nuclear Security Administration FX The Colorado Rockies Experiment and Seismic Transects (CREST) was supported primarily by the National Science Foundation Continental Dynamics Program under award EAR-0607808. Additional support was from EAR-0711546 and EAR-0838575, and from the Institute of Geophysics and Planetary Physics at Los Alamos National Laboratory. We thank the Incorporated Research Institutions for Seismology (IRIS) PASSCAL Instrument Center at New Mexico Tech for facility support and field assistance. Data collected will be available through the IRIS Data Management Center. The facilities of the IRIS Consortium are supported by the National Science Foundation (NSF) under cooperative agreement EAR-0552316, the NSF Office of Polar Programs, and the Department of Energy (DOE) National Nuclear Security Administration. The CREST team also includes Lang Farmer, Colin Shaw, Eric Leonard, Clem Chase, Alex Nereson, Rex Cole, and others. We thank Rebecca Flowers and an anonymous reviewer for their reviews, which helped improve the paper. NR 166 TC 64 Z9 64 U1 2 U2 60 PU GEOLOGICAL SOC AMER, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 1941-8264 EI 1947-4253 J9 LITHOSPHERE-US JI Lithosphere PD FEB PY 2012 VL 4 IS 1 BP 3 EP 22 DI 10.1130/L150.1 PG 20 WC Geochemistry & Geophysics; Geology SC Geochemistry & Geophysics; Geology GA 888LB UT WOS:000300003900001 ER PT J AU Lee, DW Stonehill, LC Klimenko, A Terry, JR Tornga, SR AF Lee, D. W. Stonehill, L. C. Klimenko, A. Terry, J. R. Tornga, S. R. TI Pulse-shape analysis of Cs2LiYCl6:Ce scintillator for neutron and gamma-ray discrimination SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Pulse-shape discrimination; Neutron detection; CS2LiYCl6: Ce scintillator ID CRYSTALS AB Cs2LiYCl6:Ce (CLYC) is one of the most promising new scintillators for detecting both neutrons and gamma-rays. Its neutron and gamma-ray discrimination capability using pulse-shape analysis has drawn much attention, and there is significant interest in its use in field applications. For such applications, compact and low-power readout electronics capable of exploiting the pulse-shape discrimination (PSD) capabilities of CLYC will be essential. A readout system centered around a PSD-capable application specific integrated circuit (ASIC) that is well-suited for use with CLYC has been characterized, tested, and validated. As part of this study, automated analysis of CLYC data collected with a fast waveform digitizer extracted optimized charge integration windows for PSD. Additionally, several different CLYC samples were studied in order to gain understanding of the dependance of pulse shapes on parameters such as crystal size, Li-6 enrichment level, crystal packaging, and choice of PMT. Extremely good PSD performance was obtained from CLYC scintillator and the ASIC-based readout system. Published by Elsevier C1 [Lee, D. W.; Stonehill, L. C.; Klimenko, A.; Terry, J. R.; Tornga, S. R.] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM 87545 USA. RP Lee, DW (reprint author), Los Alamos Natl Lab, Space Sci & Applicat Grp, POB 1663, Los Alamos, NM 87545 USA. EM dwlee@lanl.gov RI Lee, Dongwon/F-8675-2012; OI Lee, Dongwon/0000-0003-3133-5199; Klimenko, Alexei/0000-0003-4255-9374 FU Defense Threat Reduction Agency; Department of Energy Office of Nonproliferation Research and Development FX The authors wish to thank Jarek Glodo and Kanai Shah of Radiation Monitoring Devices, Inc. for generously providing the CLYC samples used for these measurements. Lee Sobotka and Jon Elson of Washington University and George Engel of Southern Illinois University, Edwardsville were instrumental to this work, due to their development of the PSD8C ASIC and supporting electronics. This work was funded by the Defense Threat Reduction Agency and the Department of Energy Office of Nonproliferation Research and Development. NR 6 TC 27 Z9 27 U1 1 U2 13 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 FEB 1 PY 2012 VL 664 IS 1 BP 1 EP 5 DI 10.1016/j.nima.2011.10.013 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 882VM UT WOS:000299592000001 ER PT J AU Baturin, V Burkert, V Carman, DS Elouadrhyri, L Grilli, D Kashy, D Pasyuk, E Quettier, L Wieland, B AF Baturin, V. Burkert, V. Carman, D. S. Elouadrhyri, L. Grilli, D. Kashy, D. Pasyuk, E. Quettier, L. Wieland, B. TI Dynamic magnetic shield for the CLAS12 central TOF detector photomultiplier tubes SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE CLAS; JLAB; Time-of-flight; Magnetic shield; Photomultiplier tube AB The Central Time-of-Flight detector for the Jefferson Laboratory 12-GeV upgrade is being designed with linear-focused photomultiplier tubes that require a robust magnetic shield against the CLAS12 main 5-T solenoid fringe fields of 100 mT (1 kG). Theoretical consideration of a ferromagnetic cylinder in an axial field has demonstrated that its shielding capability decreases with increasing length. This observation has been confirmed with finite element analysis using POISSON model software. Several shields composed of coaxial ferromagnetic cylinders have been studied. All difficulties caused by saturation effects were overcome with a novel dynamical shield, which utilizes a demagnetizing solenoid between the shielding cylinders. Basic dynamical shields for ordinary linear-focused 2-in. photomultiplier tubes were designed and tested both with models and experimental prototypes at different external field and demagnetizing current values. Our shield design reduces the 1 kG external axial field by a factor of 5000. (C) 2011 Elsevier B.V All rights reserved. C1 [Baturin, V.; Burkert, V.; Carman, D. S.; Elouadrhyri, L.; Kashy, D.; Pasyuk, E.; Quettier, L.; Wieland, B.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Grilli, D.] Magnet Shield Corp, Bensenville, IL 60106 USA. [Wieland, B.] Old Dominion Univ, Norfolk, VA 23529 USA. RP Baturin, V (reprint author), Thomas Jefferson Natl Accelerator Facil, 12000 Jefferson Ave, Newport News, VA 23606 USA. EM baturin@jlab.org NR 17 TC 0 Z9 0 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 FEB 1 PY 2012 VL 664 IS 1 BP 11 EP 21 DI 10.1016/j.nima.2011.10.003 PG 11 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 882VM UT WOS:000299592000003 ER PT J AU Muhrer, G AF Muhrer, G. TI Urban legends of thermal moderator design SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Neutron scattering; Neutron moderator; Scattering kernel ID NEUTRON-SCATTERING-CENTER; SLOW NEUTRONS; LIQUID; DIFFUSION; SCIENCE; ENERGY; WATER AB Neutron scattering has been an important tool for many areas of science for more than 50 years. Even though the theory of neutron scattering was developed in large part in the 1950s and 1960s, it is still to this day a challenge to design neutron sources. This is largely due to the fact that in order to achieve the necessary fluxes, it is necessary to construct either a fission reactor or a spallation source. These facilities are so complex that designers frequently rely on the experiences gained from previously designed facilities. Over the years these rules were often passed on more in form of an art than as science. The goal of this paper is to re-evaluate these rules and to establish if they are still valid today or if they have become urban legends. (C) 2011 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Muhrer, G (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM muhrer@lanl.gov RI Lujan Center, LANL/G-4896-2012 FU Readiness in Technical Base and Facilities (RTBF); Department of Energy's Office of National Nuclear Security Administration; Department of Energy's Office of Basic Energy Sciences; Los Alamos National Security LLC under DOE [DE-AC52-06NA25396] FX This work was supported by Readiness in Technical Base and Facilities (RTBF) which is funded by the Department of Energy's Office of National Nuclear Security Administration. It has benefited from the use of the Manuel Lujan, Jr. Neutron Scattering Center at Los Alamos National Laboratory, which is funded by the Department of Energy's Office of Basic Energy Sciences. Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. NR 40 TC 3 Z9 3 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD FEB 1 PY 2012 VL 664 IS 1 BP 38 EP 47 DI 10.1016/j.nima.2011.10.018 PG 10 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 882VM UT WOS:000299592000006 ER PT J AU Brantjes, NPM Dzordzhadze, V Gebel, R Gonnella, F Gray, FE van der Hoek, DJ Imig, A Kruithof, WL Lazarus, DM Lehrach, A Lorentz, B Messi, R Moricciani, D Morse, WM Noid, GA Onderwater, CJG Ozben, CS Prasuhn, D Sandri, PL Semertzidis, YK Silva, MDE Stephenson, EJ Stockhorst, H Venanzoni, G Versolato, OO AF Brantjes, N. P. M. Dzordzhadze, V. Gebel, R. Gonnella, F. Gray, F. E. van der Hoek, D. J. Imig, A. Kruithof, W. L. Lazarus, D. M. Lehrach, A. Lorentz, B. Messi, R. Moricciani, D. Morse, W. M. Noid, G. A. Onderwater, C. J. G. Ozben, C. S. Prasuhn, D. Sandri, P. Levi Semertzidis, Y. K. da Silva e Silva, M. Stephenson, E. J. Stockhorst, H. Venanzoni, G. Versolato, O. O. TI Correcting systematic errors in high-sensitivity deuteron polarization measurements SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Electric dipole moment; Polarimeter; Deuteron; Storage ring ID ANALYZING POWERS; ELASTIC-SCATTERING; INTERMEDIATE ENERGIES; COSY; PERFORMANCE; POLARIMETER; CARBON AB This paper reports deuteron vector and tensor beam polarization measurements taken to investigate the systematic variations due to geometric beam misalignments and high data rates. The experiments used the In-Beam Polarimeter at the KVI-Groningen and the EDDA detector at the Cooler Synchrotron COSY at Julich. By measuring with very high statistical precision, the contributions that are second-order in the systematic errors become apparent. By calibrating the sensitivity of the polarimeter to such errors, it becomes possible to obtain information from the raw count rate values on the size of the errors and to use this information to correct the polarization measurements. During the experiment, it was possible to demonstrate that corrections were satisfactory at the level of 10(-5) for deliberately large errors. This may facilitate the real time observation of vector polarization changes smaller than 10(-6) in a search for an electric dipole moment using a storage ring. (C) 2011 Elsevier B.V. All rights reserved. C1 [Noid, G. A.; Stephenson, E. J.] Indiana Univ, Cyclotron Facil, Bloomington, IN 47408 USA. [Brantjes, N. P. M.; van der Hoek, D. J.; Kruithof, W. L.; Onderwater, C. J. G.; da Silva e Silva, M.; Versolato, O. O.] Univ Groningen, Kernfys Versneller Inst, NL-9747 AA Groningen, Netherlands. [Dzordzhadze, V.; Imig, A.; Lazarus, D. M.; Morse, W. M.; Semertzidis, Y. K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Gebel, R.; Lehrach, A.; Lorentz, B.; Prasuhn, D.; Stockhorst, H.] Forschungszentrum Julich, Inst Kernphys, Julich Ctr Hadron Phys, D-52425 Julich, Germany. [Gonnella, F.; Messi, R.] Univ Roma Tor Vergata, Dept Phys, Rome, Italy. [Gonnella, F.; Messi, R.; Moricciani, D.] Univ Roma Tor Vergata, INFN Sez, Rome, Italy. [Gray, F. E.] Regis Univ, Denver, CO 80221 USA. [Ozben, C. S.] Istanbul Tech Univ, TR-34469 Istanbul, Turkey. [Sandri, P. Levi; Venanzoni, G.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. RP Stephenson, EJ (reprint author), Indiana Univ, Cyclotron Facil, Bloomington, IN 47408 USA. EM stephene@indiana.edu RI Semertzidis, Yannis K./N-1002-2013; moricciani, dario/C-5002-2014; OI moricciani, dario/0000-0002-1737-8857; Gray, Frederick/0000-0003-4073-8336; Levi Sandri, Paolo/0000-0002-0069-2399; Lehrach, Andreas/0000-0002-6991-2257 FU NSF [PHY-0457219, PHY-0758018]; Dutch Foundation for Scientific Research (NWO); Helmholtz Association; JCHP/Julich Center of Hadron Physics; European Commission [N. 227431]; U.S. Department of Energy [DE-AC02-98CH1-886] FX The authors wish to thank the staffs of the KVI and COSY for their support during these experimental efforts. Special thanks go to Frank Hinterberger who helped with the understanding of the EDDA detector and to the SPIN@COSY Collaboration who allowed us to participate in a COSY run prior to the beginning of these efforts. Financial support is acknowledged through NSF Grants PHY-0457219 and PHY-0758018, an Innovational Research Grant and a Toptalent Grant by the Dutch Foundation for Scientific Research (NWO), and the Helmholtz Association through funds provided to the virtual institute "Spin and strong QCD" (VH-VI-231) and JCHP/Julich Center of Hadron Physics. This publication has been supported by the European Commission under the 7th Framework Program through the 'Research Infrastructures' action of the 'Capacities' Programme. The call is FP7-INFRASTRUCTURES-2008-1, Grant Agreement N. 227431.; This manuscript has been authorized by the Brookhaven Science Associates, LLC under Contract no. DE-AC02-98CH1-886 with the U.S. Department of Energy. The United States Government retains, and the publisher, by accepting the article for publication, acknowledges, a world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for the United States Government purposes. NR 25 TC 16 Z9 16 U1 0 U2 11 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 FEB 1 PY 2012 VL 664 IS 1 BP 49 EP 64 DI 10.1016/j.nima.2011.09.055 PG 16 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 882VM UT WOS:000299592000008 ER PT J AU Andreotti, E Brofferio, C Foggetta, L Giuliani, A Margesin, B Nones, C Pedretti, M Rusconi, C Salvioni, C Tenconi, M AF Andreotti, Erica Brofferio, Chiara Foggetta, Luca Giuliani, Andrea Margesin, Benno Nones, Claudia Pedretti, Marisa Rusconi, Claudia Salvioni, Chiara Tenconi, Margherita TI Production, characterization, and selection of the heating elements for the response stabilization of the CUORE bolometers SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Detectors of radiation; Bolometers; Stabilization of response ID DOUBLE-BETA DECAY; RARE DECAYS; CUORICINO; SEARCHES AB One of the critical issues while operating bolometric detectors over periods of time of 1 year or more consists of keeping their response stable within a 0.1% level, despite the unavoidable temperature fluctuations of the cryogenic set-up. By using an energy pulser, which periodically delivers a fixed amount of energy in the absorber, it is possible to stabilize the response of the bolometers. A stabilization technique using heating devices, made up of heavily doped semiconductor material (well above the metal-to-insulator transition), has been developed in the framework of the CUORE experiment. In this paper we describe in detail the procedure for the realization of the heating elements, based on silicon planar technology. We then report on the multi-step low temperature characterization (77 K, 4.2 K, 1.5 K, 35 mK) of the heaters. Finally, an example of achieved stabilization for a CUORE-like detector is reported. The similar to 1500 heaters tested at similar to 1.5 K show less than 0.5% change in resistance between 30 mu V and 3 mV, and less than 1% change in value between 50 mK and 800 mK. In particular, the resistance change between 4.2 K and 1.5 K is less than 0.1%. (C) 2011 Elsevier B.V. All rights reserved. C1 [Andreotti, Erica; Foggetta, Luca; Giuliani, Andrea; Nones, Claudia; Rusconi, Claudia; Salvioni, Chiara; Tenconi, Margherita] Univ Insubria, Dipartimento Matemat & Fis, I-22100 Como, Italy. [Andreotti, Erica; Brofferio, Chiara; Foggetta, Luca; Giuliani, Andrea; Nones, Claudia; Rusconi, Claudia; Salvioni, Chiara; Tenconi, Margherita] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20126 Milan, Italy. [Brofferio, Chiara] Univ Milano Bicocca, Dipartimento Fis, I-20126 Milan, Italy. [Margesin, Benno] FBK Irst, I-38122 Trento, Italy. [Pedretti, Marisa] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Andreotti, E (reprint author), Inst Reference Mat & Measurements, Joint Res Ctr, Retieseweg 111, B-2440 Geel, Belgium. EM Erica.ANDREOTTI@ec.europa.eu RI Foggetta, Luca/A-4810-2010; Margesin, Benno/K-5826-2015 OI Foggetta, Luca/0000-0002-6389-1280; Margesin, Benno/0000-0002-1120-3968 NR 14 TC 6 Z9 6 U1 1 U2 5 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 FEB 1 PY 2012 VL 664 IS 1 BP 161 EP 170 DI 10.1016/j.nima.2011.10.065 PG 10 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 882VM UT WOS:000299592000023 ER PT J AU Singh, K Mevius, M Scholten, O Anderson, JM van Ardenne, A Arts, M Avruch, M Asgekar, A Bell, M Bennema, P Bentum, M Bernadi, G Best, P Boonstra, AJ Bregman, J van de Brink, R Broekema, C Brouw, W Brueggen, M Buitink, S Butcher, H van Cappellen, W Ciardi, B Coolen, A Damstra, S Dettmar, R van Diepen, G Dijkstra, K Donker, P Doorduin, A Drost, M van Duin, A Eisloeffel, J Falcke, H Garrett, M Gerbers, M Griessmeier, JM Grit, T Gruppen, P Gunst, A van Haarlem, M Hoeft, M Holties, H Horandel, J Horneffer, LA Huijgen, A James, C de Jong, A Kant, D Kooistra, E Koopman, Y Koopmans, L Kuper, G Lambropoulos, P van Leeuwen, J Loose, M Maat, P Mallary, C McFadden, R Meulman, H Mol, JD Morawietz, J Mulder, E Munk, H Nieuwenhuis, L Nijboer, R Norden, MJ Noordam, J Overeem, R Paas, H Pandey, VN Pandey-Pommier, M Pizzo, R Polatidis, A Reich, W de Reijer, J Renting, A Riemers, P Roettgering, H Romein, J Roosjen, J Ruiter, M Schoenmakers, A Schoonderbeek, G Sluman, J Smirnov, O Stappers, B Steinmetz, M Stiepel, H Stuurwold, K Tagger, M Tang, Y ter Veen, S Vermeulen, R de Vos, M Vogt, C van der Wal, E Weggemans, H Wijnholds, S Wise, M Wucknitz, O Yattawatta, S van Zwieten, J AF Singh, K. Mevius, M. Scholten, O. Anderson, J. M. van Ardenne, A. Arts, M. Avruch, M. Asgekar, A. Bell, M. Bennema, P. Bentum, M. Bernadi, G. Best, P. Boonstra, A. -J. Bregman, J. van de Brink, R. Broekema, C. Brouw, W. Brueggen, M. Buitink, S. Butcher, H. van Cappellen, W. Ciardi, B. Coolen, A. Damstra, S. Dettmar, R. van Diepen, G. Dijkstra, K. Donker, P. Doorduin, A. Drost, M. van Duin, A. Eisloeffel, J. Falcke, H. Garrett, M. Gerbers, M. Griessmeier, J. -M. Grit, T. Gruppen, P. Gunst, A. van Haarlem, M. Hoeft, M. Holties, H. Horandel, J. Horneffer, L. A. Huijgen, A. James, C. de Jong, A. Kant, D. Kooistra, E. Koopman, Y. Koopmans, L. Kuper, G. Lambropoulos, P. van Leeuwen, J. Loose, M. Maat, P. Mallary, C. McFadden, R. Meulman, H. Mol, J. -D. Morawietz, J. Mulder, E. Munk, H. Nieuwenhuis, L. Nijboer, R. Norden, M. J. Noordam, J. Overeem, R. Paas, H. Pandey, V. N. Pandey-Pommier, M. Pizzo, R. Polatidis, A. Reich, W. de Reijer, J. Renting, A. Riemers, P. Roettgering, H. Romein, J. Roosjen, J. Ruiter, M. Schoenmakers, A. Schoonderbeek, G. Sluman, J. Smirnov, O. Stappers, B. Steinmetz, M. Stiepel, H. Stuurwold, K. Tagger, M. Tang, Y. ter Veen, S. Vermeulen, R. de Vos, M. Vogt, C. van der Wal, E. Weggemans, H. Wijnholds, S. Wise, M. Wucknitz, O. Yattawatta, S. van Zwieten, J. TI Optimized trigger for ultra-high-energy cosmic-ray and neutrino observations with the low frequency radio array SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Ultra-high energy cosmic rays; Ultra-high energy neutrinos; Lunar radio detection; Nano-second pulse detection; LOFAR; Frequency filter detection ID UHE NEUTRINOS; EMISSION; LIMITS; FLUX; TELESCOPE; SPECTRUM; DETECTOR; SEARCH AB When an ultra-high energy neutrino or cosmic-ray strikes the Lunar surface a radio-frequency pulse is emitted. We plan to use the LOFAR radio telescope to detect these pulses. In this work we propose an efficient trigger implementation for LOFAR optimized for the observation of short radio pulses. (C) 2011 Elsevier B.V. All rights reserved. C1 [Singh, K.; Mevius, M.; Scholten, O.; Mallary, C.] Univ Groningen, Kernfys Versneller Inst, NL-9747 AA Groningen, Netherlands. [Singh, K.; Buitink, S.] Vrije Univ Brussel, Dienst ELEM, B-1050 Brussels, Belgium. [Singh, K.] Univ Alberta, Dept Phys, Edmonton, AB T6G 2G7, Canada. [Anderson, J. M.; Falcke, H.; Horneffer, L. A.; Reich, W.] Max Planck Inst Radioastron, D-53121 Bonn, Germany. [van Ardenne, A.; Arts, M.; Avruch, M.; Asgekar, A.; Bennema, P.; Bentum, M.; Boonstra, A. -J.; Bregman, J.; van de Brink, R.; Broekema, C.; Brouw, W.; Butcher, H.; van Cappellen, W.; Coolen, A.; Damstra, S.; van Diepen, G.; Dijkstra, K.; Donker, P.; Doorduin, A.; Drost, M.; van Duin, A.; Falcke, H.; Garrett, M.; Gerbers, M.; Griessmeier, J. -M.; Grit, T.; Gruppen, P.; Gunst, A.; van Haarlem, M.; Holties, H.; Huijgen, A.; de Jong, A.; Kant, D.; Kooistra, E.; Koopman, Y.; Kuper, G.; Lambropoulos, P.; van Leeuwen, J.; Loose, M.; Maat, P.; McFadden, R.; Meulman, H.; Mol, J. -D.; Morawietz, J.; Mulder, E.; Munk, H.; Nieuwenhuis, L.; Nijboer, R.; Norden, M. J.; Noordam, J.; Overeem, R.; Pizzo, R.; Polatidis, A.; de Reijer, J.; Renting, A.; Riemers, P.; Romein, J.; Roosjen, J.; Ruiter, M.; Schoenmakers, A.; Schoonderbeek, G.; Sluman, J.; Smirnov, O.; Stiepel, H.; Stuurwold, K.; Tang, Y.; Vermeulen, R.; de Vos, M.; Vogt, C.; van der Wal, E.; Weggemans, H.; Wijnholds, S.; Wise, M.; van Zwieten, J.] Netherlands Inst Radio Astron ASTRON, NL-7990 AA Dwingeloo, Netherlands. [Bell, M.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. [Bernadi, G.] Harvard Univ, Ctr Astrophys, Cambridge, MA 02138 USA. [Avruch, M.; Bernadi, G.; Koopmans, L.; Lambropoulos, P.; Pandey, V. N.; Pandey-Pommier, M.; Yattawatta, S.] Kapteyn Astron Inst, NL-9700 AV Groningen, Netherlands. [Best, P.] Univ Edinburgh, Inst Astron, Royal Observ Edinburgh, Edinburgh EH9 3HJ, Midlothian, Scotland. [Brueggen, M.] Jacobs Univ Bremen, D-28759 Bremen, Germany. [Buitink, S.; Falcke, H.; Horandel, J.; Horneffer, L. A.; James, C.; ter Veen, S.] Radboud Univ Nijmegen, Dept Astrophys, IMAPP, NL-6500 GL Nijmegen, Netherlands. [Buitink, S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Butcher, H.] Australian Natl Univ, Mt Stromlo Observ, Res Sch Astron & Astrophys, Weston, ACT 2611, Australia. [Ciardi, B.] Max Planck Inst Astrophys, D-85741 Garching, Germany. [Dettmar, R.] Ruhr Univ Bochum, Astron Inst, D-44780 Bochum, Germany. [Eisloeffel, J.; Hoeft, M.] Thueringer Landesstemwarte, D-07778 Tautenburg, Germany. [Griessmeier, J. -M.; Tagger, M.] Lab Phys & Chim Environm, F-45071 Orleans 2, France. [Griessmeier, J. -M.; Tagger, M.] Espace 3A, F-45071 Orleans 2, France. [Paas, H.] Univ Groningen, CIT, NL-9747 AA Groningen, Netherlands. [Pandey-Pommier, M.] Observ Lyon, Ctr Rech Astrophys Lyon, F-69561 St Genis Laval, France. [Roettgering, H.] Leiden Univ, Leiden Observ, NL-2300 RA Leiden, Netherlands. [Stappers, B.] Univ Manchester, Jodrell Bank, Ctr Astrophys, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. [Steinmetz, M.] AIP, D-14482 Potsdam, Germany. [Wucknitz, O.] Univ Bonn, Argelander Inst Astron, D-53121 Bonn, Germany. RP Scholten, O (reprint author), Univ Groningen, Kernfys Versneller Inst, NL-9747 AA Groningen, Netherlands. EM scholten@kvi.nl RI Falcke, Heino/H-5262-2012; Tagger, Michel/O-6615-2014; James, Clancy/G-9178-2015; Ciardi, Benedetta/N-7625-2015 OI Falcke, Heino/0000-0002-2526-6724; Tagger, Michel/0000-0003-2962-3220; James, Clancy/0000-0002-6437-6176; NR 42 TC 5 Z9 5 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD FEB 1 PY 2012 VL 664 IS 1 BP 171 EP 185 DI 10.1016/j.nima.2011.10.041 PG 15 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 882VM UT WOS:000299592000024 ER PT J AU Sweany, M Bernstein, A Dazeley, S Dunmore, J Felde, J Svoboda, R Tripathi, M AF Sweany, M. Bernstein, A. Dazeley, S. Dunmore, J. Felde, J. Svoboda, R. Tripathi, M. TI Study of wavelength-shifting chemicals for use in large-scale water Cherenkov detectors SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Wavelength-shifters; Cherenkov; Neutron detection ID DYE AB Cherenkov detectors employ various methods to maximize light collection at the photomultiplier tubes (PMTs). These generally involve the use of highly reflective materials lining the interior of the detector, reflective materials around the PMTs, or wavelength-shifting sheets around the PMTs. Recently, the use of water-soluble wavelength-shifters has been explored to increase the measurable light yield of Cherenkov radiation in water. These wave-shifting chemicals are capable of absorbing light in the ultraviolet and re-emitting the light in a range detectable by PMTs. Using a 250 L water Cherenkov detector, we have characterized the increase in light yield from three compounds in water: 4-Methylumbelliferone, Carbostyril-124, and Amino-G Salt. We report the gain in PMT response at a concentration of 1 ppm as 1.88 +/- 0.02 for 4-Methylumbelliferone, stable within 0.5% over 50 days, 1.37 +/- 0.03 for Carbostyril-124, and 1.20 +/- 0.02 for Amino-G Salt. The response of 4-Methylumbelliferone was modeled, resulting in a simulated gain within 9% of the experimental gain at 1 ppm concentration. Finally, we report an increase in neutron detection performance of a large-scale (3.5 kL) gadolinium-doped water Cherenkov detector at a 4-Methylumbelliferone concentration of 1 ppm. (C) 2011 Elsevier B.V. All rights reserved. C1 [Sweany, M.; Bernstein, A.; Dazeley, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Sweany, M.; Felde, J.; Svoboda, R.; Tripathi, M.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Dunmore, J.] US Mil Acad, Dept Phys & Nucl Engn, West Point, NY 10996 USA. RP Sweany, M (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM mdsweany@gmail.com FU DOE [NA-22]; Nuclear Science and Engineering Research Center at the United States Military Academy; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors wish to thank Dennis Carr for engineering support and Nathaniel Bowden for helpful discussions. We would also like to thank the DOE NA-22 and the Nuclear Science and Engineering Research Center at the United States Military Academy for their support of this project. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Document release number LLNL-JRNL-502992. NR 8 TC 2 Z9 2 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 FEB 1 PY 2012 VL 664 IS 1 BP 245 EP 250 DI 10.1016/j.nima.2011.10.064 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 882VM UT WOS:000299592000033 ER PT J AU Bolotnikov, AE Camarda, GS Cui, Y De Geronimo, G Fried, J Gul, R Hossain, A Kim, K Yang, G Vernon, E James, RB AF Bolotnikov, A. E. Camarda, G. S. Cui, Y. De Geronimo, G. Fried, J. Gul, R. Hossain, A. Kim, K. Yang, G. Vernon, E. James, R. B. TI Rejecting incomplete charge-collection events in CdZnTe and other semiconductor detectors SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE CdZnTe detectors; Virtual Frisch-grid detectors; Crystal defects; Event recognition AB In an ideal single-carrier-type gamma ray detector, the amplitudes of the signals and the carrier drift times are correlated variables. However, if the charges produced by an incident photon are not fully collected, as is the case in CdZnTe detectors containing crystal defects, the above correlation does not hold. This permits the application of an event recognition algorithm to identify these incomplete charge collection (ICC) events, caused by the "bad" regions inside a detector, so that they can be removed from pulse height spectra. The ICC events primarily contribute to the Compton continuum and the low-energy tail of the photopeak. Thus, rejecting such events should not affect significantly the photopeak efficiency, but should improve the spectral response, e.g., the peak-to-Compton ratio, for a detector fabricated from material with relaxed crystal quality requirements. Such crystals are those currently available from vendors. The use of stronger ICC correlation-function rejection criteria can improve the energy resolution of these lower-quality crystals, but at the price of a loss in photoefficiency. Published by Elsevier B.V. C1 [Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; De Geronimo, G.; Fried, J.; Gul, R.; Hossain, A.; Kim, K.; Yang, G.; Vernon, E.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Bolotnikov, AE (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM bolotnik@bnl.gov FU US Department of Energy. Office of Nonproliferation Research and Developmen [NA-22]; Defense Threat Reduction Agency; BNL; US Department of Energy [DE-AC02-98CH1-886] FX This work was supported by the US Department of Energy. Office of Nonproliferation Research and Development, Grant no. NA-22, Defense Threat Reduction Agency, and BNL's Technology Maturation Award. The manuscript has been authored by Brookhaven Science Associates, LLC under Contract no. DE-AC02-98CH1-886 with the US Department of Energy. The United States Government retains, and the publisher, by accepting the article for publication, acknowledges, a world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for the United States Government purposes. NR 16 TC 8 Z9 9 U1 0 U2 16 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 FEB 1 PY 2012 VL 664 IS 1 BP 317 EP 323 DI 10.1016/j.nima.2011.10.066 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 882VM UT WOS:000299592000043 ER PT J AU Riedel, RA Cooper, RG Funk, LL Clonts, LG AF Riedel, R. A. Cooper, R. G. Funk, L. L. Clonts, L. G. TI Design and performance of vacuum capable detector electronics for linear position sensitive neutron detectors SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Neutron detector; Data acquisition; Position sensitive detector; Vacuum operation AB We describe the design and performance of electronics for linear position sensitive neutron detectors. The eight tube assembly requires 10 W of power and can be controlled via digital communication links. The electronics can be used without modification in vacuum. Using a transimpedance amplifier and gated integration, we achieve a highly linear system with coefficient of determinations of 0.9999 or better. Typical resolution is one percent of tube length. (C) 2011 Elsevier B.V. All rights reserved. C1 [Riedel, R. A.; Cooper, R. G.; Funk, L. L.; Clonts, L. G.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Riedel, RA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. EM riedelra@ornl.gov FU US Department of Energy [DE-AC0500OR22725] FX We wish to acknowledge the assistance of Yacuba Dawari in the preparation of this manuscript. This work was supported by the US Department of Energy under Contract DE-AC0500OR22725. NR 1 TC 4 Z9 4 U1 1 U2 3 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 FEB 1 PY 2012 VL 664 IS 1 BP 366 EP 369 DI 10.1016/j.nima.2011.08.038 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 882VM UT WOS:000299592000051 ER PT J AU Jacobsohn, LG Wang, R Crozier, P Bennett, BL Muenchausen, RE AF Jacobsohn, L. G. Wang, R. Crozier, P. Bennett, B. L. Muenchausen, R. E. TI Electron energy-loss spectroscopy investigation of dopant homogeneity in Tb-doped Y2O3 nanoparticles prepared by solution combustion synthesis SO OPTICAL MATERIALS LA English DT Article DE Y2O3:Tb; Nanoparticle; Electron energy-loss spectroscopy; Dopant homogeneity; Solution combustion ID NANOPHOSPHORS; PHOSPHORS; POWDERS AB The emergence of nanotechnology imposes a new level of control in the synthesis of materials, one in which the structure and chemistry have to be controlled and characterized at the nanoscale. The solution combustion synthesis method has been used to synthesize many different oxides, including luminescent ones. However, a systematic investigation of the dopant homogeneity at the nanoscale in materials produced by this method is lacking. This is of particular relevance in nanophosphors due to the possibility of concentration quenching. In this work, 5 at.% Tb-doped Y2O3 was prepared by the solution combustion synthesis method and investigated on its structure and chemical composition homogeneity at the nanoscale by means of electron energy-loss spectroscopy (EELS) scanning transmission electron microscopy (STEM), high resolution TEM, X-ray diffraction and photoluminescence measurements. The results show that it is possible to prepare luminescent materials by the solution combustion synthesis method where the dopant is homogeneously distributed within each nanoparticle. (C) 2011 Elsevier B.V. All rights reserved. C1 [Jacobsohn, L. G.] Clemson Univ, COMSET, Clemson, SC 29625 USA. [Jacobsohn, L. G.] Clemson Univ, Sch Mat Sci & Engn, Clemson, SC 29625 USA. [Wang, R.; Crozier, P.] Arizona State Univ, Sch Mat, Tempe, AZ 85287 USA. [Bennett, B. L.; Muenchausen, R. E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Jacobsohn, LG (reprint author), Clemson Univ, COMSET, Clemson, SC 29625 USA. EM luiz@clemson.edu OI Jacobsohn, Luiz/0000-0001-8991-3903 NR 13 TC 2 Z9 2 U1 2 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0925-3467 J9 OPT MATER JI Opt. Mater. PD FEB PY 2012 VL 34 IS 4 BP 671 EP 674 DI 10.1016/j.optmat.2011.09.015 PG 4 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA 890DE UT WOS:000300124500015 ER PT J AU Crease, RP AF Crease, Robert P. TI Critical Point Fruitloopery SO PHYSICS WORLD LA English DT Editorial Material C1 [Crease, Robert P.] SUNY Stony Brook, Dept Philosophy, Stony Brook, NY USA. [Crease, Robert P.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Crease, RP (reprint author), SUNY Stony Brook, Dept Philosophy, Stony Brook, NY USA. EM rcrease@notes.cc.sunysb.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8585 J9 PHYS WORLD JI Phys. World PD FEB PY 2012 VL 25 IS 2 BP 19 EP 20 PG 2 WC Physics, Multidisciplinary SC Physics GA 890HD UT WOS:000300134800013 ER PT J AU Tjellstroem, H Zhen, LY Allen, DK Ohlrogge, JB AF Tjellstroem, Henrik Yang, Zhenle Allen, Doug K. Ohlrogge, John B. TI Rapid Kinetic Labeling of Arabidopsis Cell Suspension Cultures: Implications for Models of Lipid Export from Plastids SO PLANT PHYSIOLOGY LA English DT Article ID FATTY-ACID SYNTHESIS; ISOLATED SPINACH-CHLOROPLASTS; ENDOPLASMIC-RETICULUM; INTACT CHLOROPLASTS; PLASMA-MEMBRANE; ACP DESATURASE; ACYL; LEAVES; PHOSPHATIDYLCHOLINE; PROTEIN AB Cell cultures allow rapid kinetic labeling experiments that can provide information on precursor-product relationships and intermediate pools. T-87 suspension cells are increasingly used in Arabidopsis (Arabidopsis thaliana) research, but there are no reports describing their lipid composition or biosynthesis. To facilitate application of T-87 cells for analysis of glycerolipid metabolism, including tests of gene functions, we determined composition and accumulation of lipids of light-and dark-grown cultures. Fatty acid synthesis in T-87 cells was 7- to 8-fold higher than in leaves. Similar to other plant tissues, phosphatidylcholine (PC) and phosphatidylethanolamine were major phospholipids, but galactolipid levels were 3- to 4-fold lower than Arabidopsis leaves. Triacylglycerol represented 10% of total acyl chains, a greater percentage than in most nonseed tissues. The initial steps in T-87 cell lipid assembly were evaluated by pulse labeling cultures with [C-14] acetate and [C-14] glycerol. [C-14] acetate was very rapidly incorporated into PC, preferentially at sn-2 and without an apparent precursor-product relationship to diacylglycerol (DAG). By contrast, [C-14] glycerol most rapidly labeled DAG. These results indicate that acyl editing of PC is the major pathway for initial incorporation of fatty acids into glycerolipids of cells derived from a 16:3 plant. A very short lag time (5.4 s) for [C-14] acetate labeling of PC implied channeled incorporation of acyl chains without mixing with the bulk acyl-CoA pool. Subcellular fractionation of pea (Pisum sativum) leaf protoplasts indicated that 30% of lysophosphatidylcholine acyltransferase activity colocalized with chloroplasts. Together, these data support a model in which PC participates in trafficking of newly synthesized acyl chains from plastids to the endoplasmic reticulum. C1 [Tjellstroem, Henrik; Yang, Zhenle; Ohlrogge, John B.] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. [Yang, Zhenle; Ohlrogge, John B.] Michigan State Univ, Dept Energy, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Allen, Doug K.] ARS, USDA, Donald Danforth Plant Sci Ctr, St Louis, MO 63132 USA. RP Ohlrogge, JB (reprint author), Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. EM ohlrogge@msu.edu RI Allen, Doug/M-2836-2013 OI Allen, Doug/0000-0001-8599-8946 FU Great Lakes Bioenergy Research Center through U.S. Department of Energy [DE-FC02-07ER64494]; U.S. National Science Foundation [DBI-0701919]; The Swedish Research Counsel FORMAS; The Foundation of Olle Engkvist Byggmastare FX This work was supported by the Great Lakes Bioenergy Research Center through the U.S. Department of Energy (Cooperative Agreement no. DE-FC02-07ER64494), the U.S. National Science Foundation (grant no. DBI-0701919 to J.B.O.), The Swedish Research Counsel FORMAS, and The Foundation of Olle Engkvist Byggmastare (to H.T.). NR 66 TC 36 Z9 36 U1 4 U2 25 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 J9 PLANT PHYSIOL JI Plant Physiol. PD FEB PY 2012 VL 158 IS 2 BP 601 EP 611 DI 10.1104/pp.111.186122 PG 11 WC Plant Sciences SC Plant Sciences GA 889DS UT WOS:000300054300006 PM 22128138 ER PT J AU Rautengarten, C Ebert, B Ouellet, M Nafisi, M Baidoo, EEK Benke, P Stranne, M Mukhopadhyay, A Keasling, JD Sakuragi, Y Scheller, HV AF Rautengarten, Carsten Ebert, Berit Ouellet, Mario Nafisi, Majse Baidoo, Edward E. K. Benke, Peter Stranne, Maria Mukhopadhyay, Aindrila Keasling, Jay D. Sakuragi, Yumiko Scheller, Henrik Vibe TI Arabidopsis Deficient in Cutin Ferulate Encodes a Transferase Required for Feruloylation of omega-Hydroxy Fatty Acids in Cutin Polyester SO PLANT PHYSIOLOGY LA English DT Article ID BAHD ACYLTRANSFERASE; INSERTIONAL MUTAGENESIS; BOTRYTIS-CINEREA; GENE-EXPRESSION; MALONYL-COA; THALIANA; SUBERIN; IDENTIFICATION; PLANTS; BIOSYNTHESIS AB The cuticle is a complex aliphatic polymeric layer connected to the cell wall and covers surfaces of all aerial plant organs. The cuticle prevents nonstomatal water loss, regulates gas exchange, and acts as a barrier against pathogen infection. The cuticle is synthesized by epidermal cells and predominantly consists of an aliphatic polymer matrix (cutin) and intracuticular and epicuticular waxes. Cutin monomers are primarily C-16 and C-18 unsubstituted, omega-hydroxy, and alpha,omega-dicarboxylic fatty acids. Phenolics such as ferulate and p-coumarate esters also contribute to a minor extent to the cutin polymer. Here, we present the characterization of a novel acyl-coenzyme A (CoA)-dependent acyl-transferase that is encoded by a gene designated Deficient in Cutin Ferulate (DCF). The DCF protein is responsible for the feruloylation of v-hydroxy fatty acids incorporated into the cutin polymer of aerial Arabidopsis (Arabidopsis thaliana) organs. The enzyme specifically transfers hydroxycinnamic acids using v-hydroxy fatty acids as acyl acceptors and hydroxycinnamoyl-CoAs, preferentially feruloyl-CoA and sinapoyl-CoA, as acyl donors in vitro. Arabidopsis mutant lines carrying DCF loss-of-function alleles are devoid of rosette leaf cutin ferulate and exhibit a 50% reduction in ferulic acid content in stem insoluble residues. DCF is specifically expressed in the epidermis throughout all green Arabidopsis organs. The DCF protein localizes to the cytosol, suggesting that the feruloylation of cutin monomers takes place in the cytoplasm. C1 [Rautengarten, Carsten; Ebert, Berit; Scheller, Henrik Vibe] Lawrence Berkeley Natl Lab, Feedstocks Div, Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Ouellet, Mario; Baidoo, Edward E. K.; Benke, Peter; Keasling, Jay D.] Lawrence Berkeley Natl Lab, Fuel Synth Div, Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Ouellet, Mario; Mukhopadhyay, Aindrila] Lawrence Berkeley Natl Lab, Div Technol, Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Nafisi, Majse; Stranne, Maria; Sakuragi, Yumiko] Univ Copenhagen, Dept Plant Biol & Biotechnol, DK-1870 Frederiksberg, Denmark. [Nafisi, Majse; Stranne, Maria; Sakuragi, Yumiko] Univ Copenhagen, Villum Kann Rasmussen VKR Res Ctr ProAct Plants, DK-1870 Frederiksberg, Denmark. [Scheller, Henrik Vibe] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. RP Scheller, HV (reprint author), Lawrence Berkeley Natl Lab, Feedstocks Div, Joint BioEnergy Inst, Emeryville, CA 94608 USA. EM hscheller@lbl.gov RI Keasling, Jay/J-9162-2012; Sakuragi, Yumiko/E-9707-2012; Scheller, Henrik/A-8106-2008; Ebert, Berit/F-1856-2016 OI Keasling, Jay/0000-0003-4170-6088; Sakuragi, Yumiko/0000-0002-9405-5197; Scheller, Henrik/0000-0002-6702-3560; Ebert, Berit/0000-0002-6914-5473 FU U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research (contract no. DE-AC02-05CH11231). NR 51 TC 32 Z9 32 U1 3 U2 27 PU AMER SOC PLANT BIOLOGISTS PI ROCKVILLE PA 15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA SN 0032-0889 EI 1532-2548 J9 PLANT PHYSIOL JI Plant Physiol. PD FEB PY 2012 VL 158 IS 2 BP 654 EP 665 DI 10.1104/pp.111.187187 PG 12 WC Plant Sciences SC Plant Sciences GA 889DS UT WOS:000300054300010 PM 22158675 ER PT J AU Lin, YN Clark, DM Yu, X Zhong, ZX Liu, KY Reneker, DH AF Lin, Yinan Clark, Daniel M. Yu, Xiang Zhong, Zhenxin Liu, Kaiyi Reneker, Darrell H. TI Mechanical properties of polymer nanofibers revealed by interaction with streams of air SO POLYMER LA English DT Article DE Electrospinning; Polymer nanofibers; Tensile properties ID BENDING INSTABILITY; ELECTROSPUN; NYLON-6,6; DIAMETER; FIBERS; JETS AB Electrospun nanofibers were captured directly between two steel rods that functioned as the "grips" of the tensile testing apparatus. Tension was applied to the selected nanofiber by displacing one of the grips at controlled rates or in steps. The stress was revealed by the deflection of a nanofiber, caused by the drag force from a broad stream of air, which flowed perpendicular to the fiber at a known velocity. The deflected position and shape of the nanofiber was observed with a light arrangement optimized to produce bright glints that were photographed with a camcorder. Image analysis of the catenary shapes of the nanofibers was combined with scanning electron microscopy measurements of the diameter of the ends of the tested fibers to evaluate the mechanical properties. Measurements of properties, including tensile strength, tensile modulus and elongation-to-break, of thin electrospun fibers were obtained on six chemically different polymers: nylon 6, poly(ethylene oxide), polyvinylpyrrolidone, poly(2-ethyl-2-oxazoline), Tecoflex (R) and Tecophilic (R) polyurethanes. To the best of our knowledge, this is the first report of tensile data on single polyvinylpyrrolidone and poly(2-ethyl-2-oxazoline) nanofibers. These soft nanofibers with low strain to break rarely survive the sample loading procedures where single fiber manipulation is involved. This method complements difficult mechanical measurements of polymer nanofibers and low strength microfibers made on miniature mechanical testing devices. Mechanical hysteresis curves were attained that show the recoverable and non-recoverable tensile deformation of PEO, nylon and Tecophilic (R) polyurethane fibers. (C) 2012 Elsevier Ltd. All rights reserved. C1 [Lin, Yinan; Clark, Daniel M.; Liu, Kaiyi; Reneker, Darrell H.] Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA. [Yu, Xiang] Univ Akron, Dept Chem & Biomol Engn, Akron, OH 44325 USA. [Zhong, Zhenxin] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Reneker, DH (reprint author), Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA. EM reneker@uakron.edu RI Zhong, Zhenxin/H-5145-2011; Yu, Xiang/A-9765-2012 OI Yu, Xiang/0000-0002-0486-1110 FU National Science Foundation [DMI-0403835-2 (NIRT), 25-1110-0038-002(Nebraska DMI-0600733)]; Ohio State University, NSF [EEC-0425626 (RF 60002999)]; Coalescence Filtration Nanomaterials Consortium of University of Akron FX We acknowledge financial support from the National Science Foundation, DMI-0403835-2 (NIRT), NSF subcontract 25-1110-0038-002 (Nebraska DMI-0600733), and a subcontract through Ohio State University, NSF EEC-0425626 (RF 60002999). The Coalescence Filtration Nanomaterials Consortium of the University of Akron provided financial support and an industrial point of view. YL thanks Dr. George G. Chase and Dr. Daniel C. Galehouse for useful discussions on non-continuum gas flow. NT and DMC thank Mr. Edward Laughlin and Mr. Charles E. Holzer for technical support. YL thanks Dr. Jie Zheng for computer support. NR 32 TC 4 Z9 4 U1 6 U2 32 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0032-3861 J9 POLYMER JI Polymer PD FEB PY 2012 VL 53 IS 3 BP 782 EP 790 DI 10.1016/j.polymer.2011.12.043 PG 9 WC Polymer Science SC Polymer Science GA 889MB UT WOS:000300076700012 ER PT J AU Cheng, XM Keavney, DJ AF Cheng, X. M. Keavney, D. J. TI Studies of nanomagnetism using synchrotron-based x-ray photoemission electron microscopy (X-PEEM) SO REPORTS ON PROGRESS IN PHYSICS LA English DT Review ID MAGNETIC DOMAIN-WALL; CIRCULAR-DICHROISM MICROSPECTROSCOPY; SPIN REORIENTATION TRANSITION; EXCHANGE BIAS; MAGNETOCRYSTALLINE ANISOTROPY; ABERRATION CORRECTION; ULTRATHIN FILMS; THIN-FILMS; MAGNETORESISTANCE; FERROMAGNETISM AB As interest in magnetic devices has increased over the last 20 years, research into nanomagnetism has experienced a corresponding growth. Device applications from magnetic storage to magnetic logic have compelled interest in the influence of geometry and finite size on magnetism and magnetic excitations, in particular where the smallest dimensions reach the important magnetic interaction length scales. The dynamical behavior of nanoscale magnets is an especially important subset of research, as these phenomena are both critical for device physics and profoundly influenced by finite size. At the same time, nanoscale systems offer unique geometries to promote and study model systems, such as magnetic vortices, leading to new fundamental insights into magnetization dynamics. A wide array of experimental and computational techniques have been applied to these problems. Among these, imaging techniques that provide real-space information on the magnetic order are particularly useful. X-ray microscopy offers several advantages over scanning probe or optical techniques, such as high spatial resolution, element specificity and the possibility for high time resolution. Here, we review recent contributions using static and time-resolved x-ray photoemission electron microscopy to nanomagnetism research. C1 [Cheng, X. M.] Bryn Mawr Coll, Dept Phys, Bryn Mawr, PA 19010 USA. [Keavney, D. J.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Cheng, XM (reprint author), Bryn Mawr Coll, Dept Phys, Bryn Mawr, PA 19010 USA. EM keavney@anl.gov RI Cheng, Xuemei/D-2388-2010 OI Cheng, Xuemei/0000-0001-6670-4316 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; National Science Foundation [1053854] FX Work at Argonne National Laboratory is supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Work at Bryn Mawr College is supported by the National Science Foundation under Grant No. 1053854. NR 168 TC 22 Z9 22 U1 6 U2 69 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0034-4885 EI 1361-6633 J9 REP PROG PHYS JI Rep. Prog. Phys. PD FEB PY 2012 VL 75 IS 2 AR 026501 DI 10.1088/0034-4885/75/2/026501 PG 29 WC Physics, Multidisciplinary SC Physics GA 888NQ UT WOS:000300011000006 PM 22790347 ER PT J AU Wiley, S AF Wiley, Steven TI Never Say Never SO SCIENTIST LA English DT Editorial Material C1 Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Wiley, S (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. OI Wiley, Steven/0000-0003-0232-6867 NR 1 TC 0 Z9 0 U1 0 U2 2 PU SCIENTIST INC PI PHILADELPHIA PA 400 MARKET ST, STE 1250, PHILADELPHIA, PA 19106 USA SN 0890-3670 J9 SCIENTIST JI Scientist PD FEB PY 2012 VL 26 IS 2 BP 29 EP 29 PG 1 WC Information Science & Library Science; Multidisciplinary Sciences SC Information Science & Library Science; Science & Technology - Other Topics GA 888TV UT WOS:000300028400007 ER PT J AU Wang, H Matsunaga, T Lin, HT Mottern, AM AF Wang, Hong Matsunaga, Tadashi Lin, Hua-Tay Mottern, Alexander M. TI Piezoelectric and dielectric performance of poled lead zirconate titanate subjected to electric cyclic fatigue SO SMART MATERIALS & STRUCTURES LA English DT Article ID SWITCHABLE POLARIZATION FATIGUE; PB(ZR,TI)O-3 THIN-FILMS; FERROELECTRIC CERAMICS; FIELD; BULK; SUPPRESSION; CAPACITORS; ACTUATORS; BEHAVIOR; PLZT AB Poled lead zirconate titanate (PZT) material as a single-layer plate was tested using a piezodilatometer under electric cyclic loading in both unipolar and bipolar modes. Its responses were evaluated using unipolar and bipolar measurements on the same setup. The mechanical strain and charge density loops exhibited various variations when the material was cycled for more than 108 cycles. The various quantities including loop amplitude, hysteresis, switchable polarization, and coercive field were characterized accordingly under the corresponding measurement conditions. At the same time, the offset polarization and bias electric field of the material were observed to be changed and the trend was found to be related to the measurement conditions also. Finally, the piezoelectric and dielectric coefficients were analyzed and their implications for the application of interest have been discussed. C1 [Wang, Hong] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Wang, Hong; Matsunaga, Tadashi; Lin, Hua-Tay; Mottern, Alexander M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Wang, H (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM wangh@ornl.gov RI Wang, Hong/O-1987-2016 OI Wang, Hong/0000-0002-0173-0545 FU US Department of Energy, Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies [DE-AC05-00OR22725]; UT-Battelle, LLC FX This research was sponsored by the US Department of Energy, Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, as part of the Propulsion Materials Program under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. The authors are grateful to Douglas Memering, Jesus Carmona-Valdes, and Randy Stafford of Cummins, Inc. for supplying the specimens used in this study. The authors thank David Singh and Jim Kiggans of ORNL for reviewing the manuscript. NR 45 TC 10 Z9 10 U1 2 U2 33 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0964-1726 J9 SMART MATER STRUCT JI Smart Mater. Struct. PD FEB PY 2012 VL 21 IS 2 AR 025009 DI 10.1088/0964-1726/21/2/025009 PG 13 WC Instruments & Instrumentation; Materials Science, Multidisciplinary SC Instruments & Instrumentation; Materials Science GA 887VO UT WOS:000299959700010 ER PT J AU Jiang, XW Li, SS Wang, LW AF Jiang, Xiang-Wei Li, Shu-Shen Wang, Lin-Wang TI A comparative study for quantum transport calculations of nanosized field-effect transistors SO SOLID-STATE ELECTRONICS LA English DT Article DE Quantum; QFL; TBS; LCBB; Double-gate; Self-consistent ID ELECTRON-TRANSPORT; SEMICONDUCTOR; SIMULATION; EQUATION; MOSFETS; DOTS AB This article presents a comparative study on quantum mechanical frameworks between the widely used local Quasi-Fermi Level (QFL) model and a recently developed top of the barrier splitting (TBS) model. Both models are based on an atomistic quantum mechanical solver using the linear combination of bulk band method (LCBB). The QFL model uses the local Quasi-Fermi Level to represent the local equilibrium and calculate the occupied charge density as well as the current flow along the channel. The TBS model extracts scattering state information from the stationary solution of the system, then calculates the charge density as well as the ballistic and tunneling current. Using these two models, the 10 nm and 22 nm double-gate ultra-thin-body structures are simulated. Comparisons in occupied charge densities, self-consistent potentials as well as the I-V characteristics between these two models are presented. It is found that the QFL model significantly overestimate the subthreshold charge density inside the channel, as well as the current, while it works fine in the ON state of the device. It is also found that the results from both QFL and TBS models tend to coincide with each other as the drain bias approaching zero. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Jiang, Xiang-Wei; Li, Shu-Shen] Chinese Acad Sci, State Key Lab Superlattices & Microstruct, Inst Semicond, Beijing 100083, Peoples R China. [Wang, Lin-Wang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Jiang, XW (reprint author), Chinese Acad Sci, State Key Lab Superlattices & Microstruct, Inst Semicond, POB 912, Beijing 100083, Peoples R China. EM xwjiang@semi.ac.cn FU National Basic Research Program of China (973 Program) [G2009CB929300]; National Natural Science Foundation of China [60821061, 60776061]; US Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Science and Engineering Division [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 US Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Science and Engineering Division, under Contract No. DE-AC02-05CH11231. NR 46 TC 2 Z9 2 U1 0 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-1101 J9 SOLID STATE ELECTRON JI Solid-State Electron. PD FEB PY 2012 VL 68 BP 56 EP 62 DI 10.1016/j.sse.2011.09.015 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied; Physics, Condensed Matter SC Engineering; Physics GA 888DM UT WOS:000299984000012 ER PT J AU Polat, O Ertugrul, M Thompson, JR Leonard, KJ Sinclair, JW Paranthaman, MP Wee, SH Zuev, YL Xiong, X Selvamanickam, V Christen, DK Aytug, T AF Polat, Oe Ertugrul, M. Thompson, J. R. Leonard, K. J. Sinclair, J. W. Paranthaman, M. P. Wee, S. H. Zuev, Y. L. Xiong, X. Selvamanickam, V. Christen, D. K. Aytug, T. TI Superconducting properties of YBa2Cu3O7-delta films deposited on commercial tape substrates, decorated with Pd or Ta nano-islands SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article ID ARTIFICIAL PINNING CENTERS; CRITICAL-CURRENT DENSITY; COATED CONDUCTORS; THIN-FILMS; PALLADIUM OXIDE; BUFFER LAYERS; IBAD-MGO; ENHANCEMENT; NANOPARTICLES; STABILITY AB To obtain an engineered surface for deposition of high-T-c superconductors, nanoscale modulations of the surface of the underlying LaMnO3 (LMO) cap layer is a potential source for generating microstructural defects in YBa2Cu3O7-delta (YBCO) films. These defects may improve the flux pinning and consequently increase the critical current density, J(c). To provide such nanoscale modulation via a practical and scalable process, palladium (Pd) or tantalum (Ta) nano-islands were deposited using dc-magnetron sputtering on the surface of the cap layer of commercial metal tape templates for second-generation wires. The size and density of these nano-islands can be controlled by changing sputtering conditions such as the power and deposition time. Compared to the reference sample grown on an untreated LMO cap layer, the YBCO films grown on the LMO cap layers with Pd or Ta nano-islands exhibited improved in-field J(c) performance. Atomic force microscopy and transmission electron microscopy were used to assess the evolving size and density of the nano-islands. C1 [Polat, Oe; Thompson, J. R.; Leonard, K. J.; Wee, S. H.; Christen, D. K.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Polat, Oe; Thompson, J. R.; Sinclair, J. W.; Zuev, Y. L.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. [Ertugrul, M.] Ataturk Univ, Elect & Elect Dept, Fac Engn, TR-25240 Erzurum, Turkey. [Paranthaman, M. P.; Aytug, T.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Xiong, X.] SuperPower Inc, Schenectady, NY 12304 USA. [Selvamanickam, V.] Univ Houston, Houston, TX 77204 USA. RP Polat, O (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM jrt@utk.edu RI Sinclair, John/E-7692-2011; Ertugrul, Mehmet/J-1443-2014; Paranthaman, Mariappan/N-3866-2015 OI Paranthaman, Mariappan/0000-0003-3009-8531 FU Materials Sciences and Engineering Division, Office of Basic Energy Sciences, US Department of Energy; US Department of Energy, Office of Electricity Delivery and Energy Reliability, Advanced Cables and Conductors FX The work of OP and JWS was supported by the Materials Sciences and Engineering Division, Office of Basic Energy Sciences, US Department of Energy. Research at ORNL (JRT, KJL, MPP, SHW, YLZ, DKC, TA) was sponsored by the US Department of Energy, Office of Electricity Delivery and Energy Reliability, Advanced Cables and Conductors. NR 42 TC 10 Z9 10 U1 3 U2 33 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD FEB PY 2012 VL 25 IS 2 AR 025018 DI 10.1088/0953-2048/25/2/025018 PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 887VB UT WOS:000299958000018 ER PT J AU Saini, A Ranjan, K Lunin, A Mishra, SC Perunov, N Solyak, N Yakovlev, VP AF Saini, A. Ranjan, K. Lunin, A. Mishra, S. C. Perunov, N. Solyak, N. Yakovlev, V. P. TI Superconducting RF cavity design study for the squeezed ILC section of the high intensity H- linac for the Project-X facility SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article AB A superconducting 1.3 GHz RF cavity is designed for acceleration of H- ions traveling at 81% of the speed of light. This 1.3 GHz cavity is considered for use in the squeezed International Linear Collider (ILC) section of the proposed high intensity H- ion linac at Fermilab, in order to accelerate a H- ion beam for the energy range of 420 MeV-1.2 GeV. The design of the earlier proposed 11-cell elliptical cavity is studied for higher order modes and the shape of the end cells is optimized to avoid trapped modes while keeping the field flatness and operating frequency undisturbed. A new alternative design based on nine cells is also proposed. Both inner and end cells are designed to achieve the optimal performance of the proposed cavity and higher order modes are studied. C1 [Saini, A.; Ranjan, K.] Univ Delhi, Dept Phys & Astrophys, Delhi 110007, India. [Lunin, A.; Mishra, S. C.; Perunov, N.; Solyak, N.; Yakovlev, V. P.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Saini, A (reprint author), Univ Delhi, Dept Phys & Astrophys, Delhi 110007, India. EM asaini@fnal.gov FU DOE, USA; IUSSTF FX We are grateful to P Khare (RRCAT) for providing details of the new cryomodule design for the nine-cell cavity and A Vostrikov for useful discussions. We acknowledge the support of DOE, USA, and IUSSTF. NR 18 TC 1 Z9 1 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD FEB PY 2012 VL 25 IS 2 AR 025024 DI 10.1088/0953-2048/25/2/025024 PG 12 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 887VB UT WOS:000299958000024 ER PT J AU Dai, YS Baek, SH Garcia-Diaz, A Yang, B Tsui, KL Zhuang, J AF Dai, Yuanshun Baek, Seung Hyun Garcia-Diaz, Alberto Yang, Bai Tsui, Kwok-Leung Zhuang, Jie TI An enhanced engineering perspective of global climate systems and statistical formulation of terrestrial CO2 exchanges SO THEORETICAL AND APPLIED CLIMATOLOGY LA English DT Article ID CARBON-CYCLE; TROPICAL FORESTS; NITROGEN; ECOSYSTEMS; REGRESSION AB This paper designs a comprehensive approach based on the engineering machine/system concept, to model, analyze, and assess the level of carbon dioxide (CO2) exchange between the atmosphere and terrestrial ecosystems, which is an important factor in understanding changes in global climate. The focus of this article is on spatial patterns and on the correlation between levels of CO2 fluxes and a variety of influencing factors in eco-environments. The engineering/machine concept used is a system protocol that includes the sequential activities of design, test, observe, and model. This concept is applied to explicitly include various influencing factors and interactions associated with CO2 fluxes. To formulate effective models of a large and complex climate system, this article introduces a modeling technique that will be referred to as stochastic filtering analysis of variance (SF-ANOVA). The CO2 flux data observed from some sites of AmeriFlux are used to illustrate and validate the analysis, prediction, and globalization capabilities of the proposed engineering approach and the SF-ANOVA technique. The SF-ANOVA modeling approach was compared to stepwise regression, ridge regression, and neural networks. The comparison indicated that the proposed approach is a valid and effective tool with similar accuracy and less complexity than the other procedures. C1 [Baek, Seung Hyun] Samsung Elect, Samsung Semicond R&D Ctr, Hwasung City, Gyeonggi Do, South Korea. [Dai, Yuanshun; Garcia-Diaz, Alberto] Univ Tennessee, Dept Ind & Informat Engn, Knoxville, TN USA. [Yang, Bai] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Tsui, Kwok-Leung] Georgia Inst Technol, Sch Ind & Syst Engn ISyE, Atlanta, GA 30332 USA. [Zhuang, Jie] Univ Tennessee, Inst Secure & Sustainable Environm, Knoxville, TN USA. [Dai, Yuanshun] Univ Elect Sci & Technol China, Sch Comp Sci, Chengdu 610054, Peoples R China. [Dai, Yuanshun] Univ Tennessee, Dept Elect Engn & Comp Sci, ICL, Knoxville, TN USA. RP Baek, SH (reprint author), Samsung Elect, Samsung Semicond R&D Ctr, Hwasung City, Gyeonggi Do, South Korea. EM seunghyunbaek@hotmail.com RI 李, 涵/B-4995-2012 FU Department of Education in Guangdong [2010A090200018]; National Natural Science Foundation of China [60974089]; U.S. Department of Energy, Office of Science, Biological and Environmental Research (BER); NSF [CMMI-0927592]; UGC [CITYU8/CRF/09]; U.S. Department of Energy [DE-AC05-00OR22725] FX We appreciate Lianhong Gu, Stephen Pallardy and Danilo Dragoni for providing eddy flux tower data for the Ozark Forest flux site Missouri and for the Morgan Monroe State Forest flux site, Indiana via the Carbon Dioxide Information Analysis Center, AmeriFlux Network internet site (http://public.ornl.gov/ameriflux/). Prof. Yuanshun Dai acknowledges partial support from Department of Education in Guangdong (No. 2010A090200018) and National Natural Science Foundation of China (No. 60974089). Dr. Bai Yang's research was supported by U.S. Department of Energy, Office of Science, Biological and Environmental Research (BER), and conducted at Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. Prof. Kwok-Leung Tsui's research was partially supported by the projects of NSF CMMI-0927592 and UGC CITYU8/CRF/09. NR 25 TC 0 Z9 0 U1 3 U2 9 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0177-798X EI 1434-4483 J9 THEOR APPL CLIMATOL JI Theor. Appl. Climatol. PD FEB PY 2012 VL 107 IS 3-4 BP 347 EP 359 DI 10.1007/s00704-011-0471-3 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 889OI UT WOS:000300082600002 ER PT J AU Palta, MM Doyle, TW Jackson, CR Meyer, JL Sharitz, RR AF Palta, Monica M. Doyle, Thomas W. Jackson, C. Rhett Meyer, Judy L. Sharitz, Rebecca R. TI Changes in Diameter Growth of Taxodium distichum in Response to Flow Alterations in the Savannah River SO WETLANDS LA English DT Article DE Dam operations; Flooding; Subsidy-stress hypothesis; Tree ring analysis ID FLOODPLAIN FORESTS; BALD CYPRESS; SWAMP FOREST; L RICH; FLORIDA; REGENERATION; ECOSYSTEMS; LOUISIANA; DYNAMICS; ILLINOIS AB Efforts to maximize or restore ecological function on floodplains impacted by dam construction have increasingly focused on river flow management. Few studies, however, consider floodplain hydrogeomorphic position and annual climatic variation in dam impact assessment. The Savannah River, a large river ecosystem in the Southeastern United States, was impounded in the 1950's. Our study objectives were: (1) Characterize hydrology in floodplain areas containing Taxodium distichum, and determine how it has been affected by dam operations; (2) Identify basal area increment (BAI) response of Taxodium to annual flooding and climate (dry, average, wet) conditions; (3) Assess BAI response to dam-induced hydrologic changes. Levee and backswamp sites were significantly drier in the post-dam era, and trees at these sites showed a significant post-dam increase in BAI. Low-elevation river sites did not show significant hydrologic differences between pre- and post-dam eras, but BAI was significantly higher in dry years and significantly less sensitive to hydroperiod in the post-dam era. All trees demonstrated a significant quadratic BAI vs. hydroperiod relationship. This study demonstrates that annual productivity of Taxodium trees can be reduced by either drought or flood stress. It also suggests that climate and hydrogeomorphic location mediate dam impacts and productivity-flooding relationships in Taxodium. C1 [Palta, Monica M.] Rutgers State Univ, Dept Ecol & Evolut, New Brunswick, NJ 08901 USA. [Doyle, Thomas W.] Natl Wetlands Res Ctr, USGS, Lafayette, LA 70506 USA. [Jackson, C. Rhett] Univ Georgia, Warnell Sch Forestry, Athens, GA 30602 USA. [Meyer, Judy L.] Univ Georgia, Odum Sch Ecol, Athens, GA 30602 USA. [Sharitz, Rebecca R.] Univ Georgia, Dept Plant Sci, Athens, GA 30602 USA. [Sharitz, Rebecca R.] Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Palta, MM (reprint author), Rutgers State Univ, Dept Ecol & Evolut, 14 Coll Farm Rd, New Brunswick, NJ 08901 USA. EM monicapalta@gmail.com OI Jackson, C. Rhett/0000-0001-6165-3556 FU U.S. Department of Energy [DE-FC09-96SR18546]; University of Georgia [DE-FC09-96SR18546] FX We thank Paul Stankus, Will Duncan, Kimberly Andrews, Nick Lumley, Cub Stephens, Gayle Albers, Jeff Diez, Jamie Williams, and Paul Koehler for field assistance. Thanks also to the Savannah River Ecology Lab, Cowden Plantation, and Silver Bluff Plantation, for use of field sites and equipment; Mari Palta, for assistance in statistical analysis; and Will Conner, for providing comments on earlier drafts of this article. Manuscript preparation was aided by Financial Assistance Award No. DE-FC09-96SR18546 between the U.S. Department of Energy and the University of Georgia. NR 48 TC 11 Z9 11 U1 2 U2 31 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0277-5212 J9 WETLANDS JI Wetlands PD FEB PY 2012 VL 32 IS 1 BP 59 EP 71 DI 10.1007/s13157-011-0245-9 PG 13 WC Ecology; Environmental Sciences SC Environmental Sciences & Ecology GA 889MX UT WOS:000300078900006 ER PT J AU Warkentin, M Badeau, R Hopkins, JB Mulichak, AM Keefe, LJ Thorne, RE AF Warkentin, Matthew Badeau, Ryan Hopkins, Jesse B. Mulichak, Anne M. Keefe, Lisa J. Thorne, Robert E. TI Global radiation damage at 300 and 260 K with dose rates approaching 1 MGy s-1 SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article DE radiation damage; dose rate; room temperature; protein crystallography ID X-RAY-BEAM; PROTEIN CRYSTALS; MACROMOLECULAR CRYSTALS; CRYOGENIC TEMPERATURES; STRUCTURAL-CHANGES; CATALYTIC PATHWAY; ATOMIC-RESOLUTION; GLASS-TRANSITION; CRYSTALLOGRAPHY; CRYOCRYSTALLOGRAPHY AB Global radiation damage to 19 thaumatin crystals has been measured using dose rates from 3 to 680 kGy s-1. At room temperature damage per unit dose appears to be roughly independent of dose rate, suggesting that the timescales for important damage processes are less than similar to 1 s. However, at T = 260 K approximately half of the global damage manifested at dose rates of similar to 10 kGy s-1 can be outrun by collecting data at 680 kGy s-1. Appreciable sample-to-sample variability in global radiation sensitivity at fixed dose rate is observed. This variability cannot be accounted for by errors in dose calculation, crystal slippage or the size of the data sets in the assay. C1 [Warkentin, Matthew; Badeau, Ryan; Hopkins, Jesse B.; Thorne, Robert E.] Cornell Univ, Dept Phys, Ithaca, NY 14853 USA. [Mulichak, Anne M.; Keefe, Lisa J.] Argonne Natl Lab, IMCA CAT, Argonne, IL 60439 USA. RP Thorne, RE (reprint author), Cornell Univ, Dept Phys, Ithaca, NY 14853 USA. EM ret6@cornell.edu FU National Institutes of Health (NIH) [GM065981-05A1]; National Science Foundation (NSF); NIH/National Institute of General Medical Sciences under NSF [DMR-0225180]; NIH through its National Center for Research Resources [RR-01646]; companies of the Industrial Macromolecular Crystallography Association through a contract with Hauptman-Woodward Medical Research Institute; US Department of Energy, Office of Science, Office of Basic Energy Science [DE-AC02-06CH11357] FX The authors would like to thank Wolfgang Kabsch for supplying us with a custom version of XDS and Sol Gruner, Marian Szebenyi, Jeney Wierman, Mark Tate, Kate Green, Hugh Philipp and Alexander Kazimirov for fruitful discussions. This work was supported by the National Institutes of Health (NIH) under award No. GM065981-05A1. It is based in part on research conducted at the Cornell High-Energy Synchrotron Source (CHESS), which is supported by the National Science Foundation (NSF) and the NIH/National Institute of General Medical Sciences under NSF award No. DMR-0225180 using the Macromolecular Diffraction at CHESS (MacCHESS) facility, which is supported by award No. RR-01646 from the NIH through its National Center for Research Resources. Use of the IMCA-CAT beamline 17-ID (or 17-BM) at the Advanced Photon Source was supported by the companies of the Industrial Macromolecular Crystallography Association through a contract with Hauptman-Woodward Medical Research Institute. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Science under Contract No. DE-AC02-06CH11357. RET acknowledges a significant financial interest in MiTeGen, which manufactured some of the tools used in this work. NR 51 TC 16 Z9 16 U1 1 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD FEB PY 2012 VL 68 BP 124 EP 133 DI 10.1107/S0907444911052085 PN 2 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 881FX UT WOS:000299469100005 PM 22281741 ER PT J AU Brzezinski, K Dauter, Z Jaskolski, M AF Brzezinski, Krzysztof Dauter, Zbigniew Jaskolski, Mariusz TI Structures of NodZ a1,6-fucosyltransferase in complex with GDP and GDP-fucose SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article DE glycosyltransferases; fucosyltransferases; family GT-23 glycosyltransferases; chitooligosaccharide fucosylation; Nod-factor biosynthesis; nodulation; Nod factors; legume-rhizobium symbiosis; nitrogen fixation ID CRYSTAL-STRUCTURE; MAMMALIAN ALPHA-1,6-FUCOSYL-TRANSFERASE; RHIZOBIUM-LEGUMINOSARUM; ACETYL TRANSFERASE; NODULATION SIGNAL; ROOT NODULATION; GLYCOSYLTRANSFERASES; BIOSYNTHESIS; MECHANISM; PROTEIN AB Rhizobial NodZ a1,6-fucosyltransferase (a1,6-FucT) catalyzes the transfer of the fucose (Fuc) moiety from guanosine 5'-diphosphate-beta-l-fucose to the reducing end of the chitin oligosaccharide core during Nod-factor (NF) biosynthesis. NF is a key signalling molecule required for successful symbiosis with a legume host for atmospheric nitrogen fixation. To date, only two a1,6-FucT structures have been determined, both without any donor or acceptor molecule that could similar to highlight the structural background of the catalytic mechanism. Here, the first crystal structures of a1,6-FucT in complex with its substrate GDP-Fuc and with GDP, which is similar to a similar to byproduct of the enzymatic reaction, are presented. The crystal of the complex with GDP-Fuc was obtained through soaking of native NodZ crystals with the ligand and its structure has been determined at 2.35 angstrom resolution. The fucose residue is exposed to solvent and is disordered. The enzymeproduct complex crystal was obtained by cocrystallization with GDP and an acceptor molecule, penta-N-acetyl-l-glucosamine (penta-NAG). The structure has been determined at 1.98 angstrom resolution, showing that only the GDP molecule is present in the complex. In both structures the ligands are located in a cleft formed between the two domains of NodZ and extend towards the C-terminal domain, but their conformations differ significantly. The structures revealed that residues in three regions of the C-terminal domain, which are conserved among a1,2-, a1,6- and protein O-fucosyltransferases, are involved in interactions with the sugar-donor molecule. There is also an interaction with the side chain of Tyr45 in the N-terminal domain, which is very unusual for a GT-B-type glycosyltransferase. Only minor conformational changes of the protein backbone are observed upon ligand binding. The only exception is a movement of the loop located between strand beta C2 and helix aC3. In addition, there is a shift of the aC3 helix itself upon GDP-Fuc binding. C1 [Brzezinski, Krzysztof; Jaskolski, Mariusz] Polish Acad Sci, Inst Bioorgan Chem, Ctr Biocrystallog Res, PL-61704 Poznan, Poland. [Brzezinski, Krzysztof; Dauter, Zbigniew] Argonne Natl Lab, Synchrotron Radiat Res Sect, MCL, NCI, Argonne, IL 60439 USA. [Jaskolski, Mariusz] Adam Mickiewicz Univ, Dept Crystallog, Fac Chem, PL-60780 Poznan, Poland. RP Jaskolski, M (reprint author), Polish Acad Sci, Inst Bioorgan Chem, Ctr Biocrystallog Res, PL-61704 Poznan, Poland. EM mariuszj@amu.edu.pl FU Polish Ministry of Science and Higher Education [N N302 4305 34]; NIH, National Cancer Institute, Center for Cancer Research; National Cancer Institute, National Institutes of Health [HHSN2612008000001E]; National Center for Research Resources at the National Institutes of Health [RR-15301]; US Department of Energy, Office of Basic Energy Sciences [W-31-109-Eng-38] FX This work was supported in part by a grant from the Polish Ministry of Science and Higher Education (No. N N302 4305 34), by the Intramural Research Program of NIH, National Cancer Institute, Center for Cancer Research and by Federal funds from the National Cancer Institute, National Institutes of Health under Contract HHSN2612008000001E. The content of this publication does not necessarily reflect the views or policies of the Department of Health and Human Services, nor does the mention of trade names, commercial products, or organizations imply endorsement by the US Government. Use of the SER-CAT beamline was supported by award RR-15301 from the National Center for Research Resources at the National Institutes of Health and the use of the Advanced Photon Source was supported by the US Department of Energy, Office of Basic Energy Sciences under Contract No. W-31-109-Eng-38. NR 48 TC 5 Z9 6 U1 1 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD FEB PY 2012 VL 68 BP 160 EP 168 DI 10.1107/S0907444911053157 PN 2 PG 9 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 881FX UT WOS:000299469100009 PM 22281745 ER PT J AU Vandera, E Kavakiotis, K Kallimanis, A Kyrpides, NC Drainas, C Koukkou, AI AF Vandera, Elpiniki Kavakiotis, Konstantinos Kallimanis, Aristeidis Kyrpides, Nikos C. Drainas, Constantin Koukkou, Anna-Irini TI Heterologous Expression and Characterization of Two 1-Hydroxy-2-Naphthoic Acid Dioxygenases from Arthrobacter phenanthrenivorans SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID POLYCYCLIC AROMATIC-HYDROCARBONS; MYCOBACTERIUM-VANBAALENII PYR-1; SP STRAIN SPHE3; MOLECULAR CHARACTERIZATION; DEGRADATION; BIODEGRADATION; IDENTIFICATION; GENES; CATABOLISM; BACTERIA AB A protein fraction exhibiting 1-hydroxy-2-naphthoic acid (1-H2NA) dioxygenase activity was purified via ion exchange, hydrophobic interactions, and gel filtration chromatography from Arthrobacter phenanthrenivorans sp. nov. strain Sphe3 isolated from a Greek creosote-oil-polluted site. Matrix-assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF MS) and tandem MS (MS-MS) analysis revealed that the amino acid sequences of oligopeptides of the major 45-kDa protein species, as analyzed by SDS-PAGE and silver staining, comprising 29% of the whole sequence, exhibited strong homology with 1-H2NA dioxygenase of Nocardioides sp. strain KP7. A BLAST search of the recently sequenced Sphe3 genome revealed two putative open reading frames, named diox1 and diox2, showing 90% nucleotide identity to each other and 85% identity at the amino acid level with the Nocardia sp. homologue. diox1 was found on an indigenous Sphe3 plasmid, whereas diox2 was located on the chromosome. Both genes were induced by the presence of phenanthrene used as a sole carbon and energy source, and as expected, both were subject to carbon catabolite repression. The relative RNA transcription level of the chromosomal (diox2) gene was significantly higher than that of its plasmid (diox1) homologue. Both diox1 and diox2 putative genes were PCR amplified, cloned, and overexpressed in Escherichia coli. Recombinant E. coli cells expressed 1-H2NA dioxygenase activity. Recombinant enzymes exhibited Michaelis-Menten kinetics with an apparent K-m of 35 mu M for Diox1 and 29 mu M for Diox2, whereas they showed similar kinetic turnover characteristics with K-cat/K-m values of 11 x 10(6) M-1 s(-1) and 12 x 10(6) M-1 s(-1), respectively. Occurrence of two diox1 and diox2 homologues in the Sphe3 genome implies that a replicative transposition event has contributed to the evolution of 1-H2NA dioxygenase in A. phenanthrenivorans. C1 [Vandera, Elpiniki; Kavakiotis, Konstantinos; Kallimanis, Aristeidis; Drainas, Constantin; Koukkou, Anna-Irini] Univ Ioannina, Sect Organ Chem & Biochem, GR-45110 Ioannina, Greece. [Kyrpides, Nikos C.] Joint Genome Inst, Dept Energy, Genome Biol Program, Walnut Creek, CA USA. RP Koukkou, AI (reprint author), Univ Ioannina, Sect Organ Chem & Biochem, GR-45110 Ioannina, Greece. EM akukku@cc.uoi.gr RI Kyrpides, Nikos/A-6305-2014 OI Kyrpides, Nikos/0000-0002-6131-0462 FU European Union; Hellenic Ministry of Education, Life Long Learning and Religious Affairs; U.S. Department of Energy's Office of Science; University of California, Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National Laboratory [DE-AC02-06NA25396] FX This research project was cofunded by the European Union-European Social Fund (ESF) and National Sources in the framework of the program "HRAKLEITOS II" of the "Operational Program Education and Life Long Learning" of the Hellenic Ministry of Education, Life Long Learning and Religious Affairs. N.C.K. is supported by 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, under contract no. DE-AC02-05CH11231; by the Lawrence Livermore National Laboratory under contract no. DE-AC52-07NA27344; and by the Los Alamos National Laboratory under contract no. DE-AC02-06NA25396. NR 50 TC 7 Z9 7 U1 3 U2 20 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 FEB PY 2012 VL 78 IS 3 BP 621 EP 627 DI 10.1128/AEM.07137-11 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 882WI UT WOS:000299594200002 PM 22101055 ER PT J AU Harhangi, HR Le Roy, M van Alen, T Hu, BL Groen, J Kartal, B Tringe, SG Quan, ZX Jetten, MSM Op den Camp, HJM AF Harhangi, Harry R. Le Roy, Mathilde van Alen, Theo Hu, Bao-lan Groen, Joost Kartal, Boran Tringe, Susannah G. Quan, Zhe-Xue Jetten, Mike S. M. Op den Camp, Huub J. M. TI Hydrazine Synthase, a Unique Phylomarker with Which To Study the Presence and Biodiversity of Anammox Bacteria SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID AMMONIUM-OXIDIZING BACTERIA; OXYGEN MINIMUM ZONE; IN-SITU DETECTION; MARINE-SEDIMENTS; MOLECULAR EVIDENCE; ANAEROBIC METHANE; NITROGEN-CYCLE; OXIDATION; DIVERSITY; ENRICHMENT AB Anaerobic ammonium-oxidizing (anammox) bacteria play an important role in the biogeochemical cycling of nitrogen. They derive their energy for growth from the conversion of ammonium and nitrite into dinitrogen gas in the complete absence of oxygen. Several methods have been used to detect the presence and activity of anammox bacteria in the environment, including 16S rRNA gene-based approaches. The use of the 16S rRNA gene to study biodiversity has the disadvantage that it is not directly related to the physiology of the target organism and that current primers do not completely capture the anammox diversity. Here we report the development of PCR primer sets targeting a subunit of the hydrazine synthase (hzsA), which represents a unique phylogenetic marker for anammox bacteria. The tested primers were able to retrieve hzsA gene sequences from anammox enrichment cultures, full-scale anammox wastewater treatment systems, and a variety of freshwater and marine environmental samples, covering all known anammox genera. C1 [Harhangi, Harry R.; Le Roy, Mathilde; van Alen, Theo; Hu, Bao-lan; Groen, Joost; Kartal, Boran; Jetten, Mike S. M.; Op den Camp, Huub J. M.] Radboud Univ Nijmegen, Inst Water & Wetland Res IWWR, Dept Microbiol, NL-6525 ED Nijmegen, Netherlands. [Hu, Bao-lan] Zhejiang Univ, Dept Environm Engn, Hangzhou 310003, Zhejiang, Peoples R China. [Tringe, Susannah G.] Joint Genome Inst, Dept Energy, Walnut Creek, CA USA. [Quan, Zhe-Xue] Fudan Univ, Sch Life Sci, Dept Microbiol & Microbial Engn, Shanghai 200433, Peoples R China. RP Op den Camp, HJM (reprint author), Radboud Univ Nijmegen, Inst Water & Wetland Res IWWR, Dept Microbiol, NL-6525 ED Nijmegen, Netherlands. EM h.opdencamp@science.ru.nl RI Hu, baolan/E-1667-2012; Hu, baolan/K-8163-2012; Jetten, Mike/B-8834-2011; Groen, Joost/I-7828-2012; Op den Camp, Huub/F-5114-2011; Kartal, Boran/D-2488-2014 OI Jetten, Mike/0000-0002-4691-7039; Groen, Joost/0000-0003-3087-8087; Op den Camp, Huub/0000-0003-1990-9030; FU ERC [2322937] FX The work was partly funded by ERC grant no. 2322937 to Mike Jetten and Mathilde Le Roy. NR 49 TC 80 Z9 87 U1 15 U2 114 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 FEB PY 2012 VL 78 IS 3 BP 752 EP 758 DI 10.1128/AEM.07113-11 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 882WI UT WOS:000299594200017 PM 22138989 ER PT J AU Lin, XJ Kennedy, D Peacock, A McKinley, J Resch, CT Fredrickson, J Konopka, A AF Lin, Xueju Kennedy, David Peacock, Aaron McKinley, James Resch, Charles T. Fredrickson, James Konopka, Allan TI Distribution of Microbial Biomass and Potential for Anaerobic Respiration in Hanford Site 300 Area Subsurface Sediment SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID 16S RIBOSOMAL-RNA; URANIUM-CONTAMINATED AQUIFER; FATTY-ACID PROFILES; REAL-TIME PCR; COMMUNITY STRUCTURE; ESTUARINE SEDIMENTS; MARINE-SEDIMENTS; GROUNDWATER; BIOREMEDIATION; ECOSYSTEMS AB Subsurface sediments were recovered from a 52-m-deep borehole cored in the 300 Area of the Hanford Site in southeastern Washington State to assess the potential for biogeochemical transformation of radionuclide contaminants. Microbial analyses were made on 17 sediment samples traversing multiple geological units: the oxic coarse-grained Hanford formation (9 to 17.4 m), the oxic fine-grained upper Ringold formation (17.7 to 18.1 m), and the reduced Ringold formation (18.3 to 52 m). Microbial biomass (measured as phospholipid fatty acids) ranged from 7 to 974 pmols per g in discrete samples, with the highest numbers found in the Hanford formation. On average, strata below 17.4 m had 13-fold less biomass than those from shallower strata. The nosZ gene that encodes nitrous oxide reductase (measured by quantitative real-time PCR) had an abundance of 5 to 17% relative to that of total 16S rRNA genes below 18.3 m and <5% above 18.1 m. Most nosZ sequences were affiliated with Ochrobactrum anthropi (97% sequence similarity) or had a nearest neighbor of Achromobacter xylosoxidans (90% similarity). Passive multilevel sampling of groundwater geochemistry demonstrated a redox gradient in the 1.5-m region between the Hanford-Ringold formation contact and the Ringold oxic-anoxic interface. Within this zone, copies of the dsrA gene and Geobacteraceae had the highest relative abundance. The majority of dsrA genes detected near the interface were related to Desulfotomaculum spp. These analyses indicate that the region just below the contact between the Hanford and Ringold formations is a zone of active biogeochemical redox cycling. C1 [Lin, Xueju; Kennedy, David; McKinley, James; Resch, Charles T.; Fredrickson, James; Konopka, Allan] Pacific NW Natl Lab, Richland, WA 99352 USA. [Lin, Xueju] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. [Peacock, Aaron] Haley & Aldrich Inc, Oak Ridge, TN USA. RP Konopka, A (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM allan.konopka@pnnl.gov RI Lin, Xueju/C-7277-2012; OI Kennedy, David/0000-0003-0763-501X FU U.S. Department of Energy (DOE), Office of Biological and Environmental Research (BER); Integrated Field-Scale Research Challenge (IFRC) at the Pacific Northwest National Laboratory (PNNL); DOE [DE-AC06-76RLO 1830] FX This research was supported by the U.S. Department of Energy (DOE), Office of Biological and Environmental Research (BER), as part of Subsurface Biogeochemistry Research Program's Scientific Focus Area (SFA) and Integrated Field-Scale Research Challenge (IFRC) at the Pacific Northwest National Laboratory (PNNL). PNNL is operated for DOE by Battelle under contract DE-AC06-76RLO 1830. NR 55 TC 23 Z9 23 U1 1 U2 24 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 FEB PY 2012 VL 78 IS 3 BP 759 EP 767 DI 10.1128/AEM.07404-11 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 882WI UT WOS:000299594200018 PM 22138990 ER PT J AU Sela, DA Garrido, D Lerno, L Wu, SA Tan, KM Eom, HJ Joachimiak, A Lebrilla, CB Mills, DA AF Sela, David A. Garrido, Daniel Lerno, Larry Wu, Shuai Tan, Kemin Eom, Hyun-Ju Joachimiak, Andrzej Lebrilla, Carlito B. Mills, David A. TI Bifidobacterium longum subsp infantis ATCC 15697 alpha-Fucosidases Are Active on Fucosylated Human Milk Oligosaccharides SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID CARBOHYDRATE-BINDING MODULE; MASS-SPECTROMETRY; BIFIDUM; DEGRADATION; CONSUMPTION; 1,2-ALPHA-L-FUCOSIDASE; GLYCOPROTEINS; FERMENTATION; GLYCOSIDASES; MECHANISM AB Bifidobacterium longum subsp. infantis ATCC 15697 utilizes several small-mass neutral human milk oligosaccharides (HMOs), several of which are fucosylated. Whereas previous studies focused on endpoint consumption, a temporal glycan consumption profile revealed a time-dependent effect. Specifically, among preferred HMOs, tetraose was favored early in fermentation, with other oligosaccharides consumed slightly later. In order to utilize fucosylated oligosaccharides, ATCC 15697 possesses several fucosidases, implicating GH29 and GH95 alpha-L-fucosidases in a gene cluster dedicated to HMO metabolism. Evaluation of the biochemical kinetics demonstrated that ATCC 15697 expresses three fucosidases with a high turnover rate. Moreover, several ATCC 15697 fucosidases are active on the linkages inherent to the HMO molecule. Finally, the HMO cluster GH29 alpha-L-fucosidase possesses a crystal structure that is similar to previously characterized fucosidases. C1 [Eom, Hyun-Ju; Mills, David A.] Univ Calif Davis, Dept Viticulture & Fnol, Robert Mondavi Inst Wine & Food Sci, Davis, CA 95616 USA. [Sela, David A.] Univ Calif Davis, Microbiol Grad Grp, Davis, CA 95616 USA. [Garrido, Daniel] Univ Calif Davis, Food Sci Grad Grp, Davis, CA 95616 USA. [Lerno, Larry; Wu, Shuai; Lebrilla, Carlito B.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Tan, Kemin; Joachimiak, Andrzej] Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. [Tan, Kemin; Joachimiak, Andrzej] Argonne Natl Lab, Struct Biol Ctr, Argonne, IL 60439 USA. RP Mills, DA (reprint author), Univ Calif Davis, Dept Viticulture & Fnol, Robert Mondavi Inst Wine & Food Sci, Davis, CA 95616 USA. EM damills@ucdavis.edu RI Wu, Shuai/I-8696-2012; Garrido, Daniel/F-8229-2013; Wu, Shuai/N-8552-2014; OI Garrido, Daniel/0000-0002-4982-134X; Mills, David/0000-0003-1913-9865 FU University of California; California Dairy Research Foundation; USDA NRI-CSREES [2008-35200-18776]; National Institutes of Health NICHD [R01HD059127, R01HD065122, R01HD061923]; National Institutes of Health [GM074942]; U.S. Department of Energy (DOE), Office of Biological and Environmental Research [DE-AC02-06CH11357]; [NIH-NIGMS T32-GM08799] FX This work was supported by grants from the University of California Discovery Grant Program, the California Dairy Research Foundation, USDA NRI-CSREES award 2008-35200-18776, and National Institutes of Health NICHD awards R01HD059127, R01HD065122, and R01HD061923. D.A.S. was supported by a predoctoral training grant (NIH-NIGMS T32-GM08799). This work was also supported by National Institutes of Health grant GM074942 and by the U.S. Department of Energy (DOE), Office of Biological and Environmental Research under contract DE-AC02-06CH11357. NR 38 TC 59 Z9 59 U1 5 U2 28 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 FEB PY 2012 VL 78 IS 3 BP 795 EP 803 DI 10.1128/AEM.06762-11 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 882WI UT WOS:000299594200022 PM 22138995 ER PT J AU Krauter, PA Piepel, GF Boucher, R Tezak, M Amidan, BG Einfeld, W AF Krauter, Paula A. Piepel, Greg F. Boucher, Raymond Tezak, Matt Amidan, Brett G. Einfeld, Wayne TI False-Negative Rate and Recovery Efficiency Performance of a Validated Sponge Wipe Sampling Method SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID BACILLUS-ANTHRACIS SPORES; NONPOROUS SURFACES; SWAB PROTOCOL; COLLECTION METHOD; QUANTITATIVE PCR; EFFICACY; DECONTAMINATION; DEPOSITION; BACTERIA; RISK AB Recovery of spores from environmental surfaces varies due to sampling and analysis methods, spore size and characteristics, surface materials, and environmental conditions. Tests were performed to evaluate a new, validated sponge wipe method using Bacillus atrophaeus spores. Testing evaluated the effects of spore concentration and surface material on recovery efficiency (RE), false-negative rate (FNR), limit of detection (LOD), and their uncertainties. Ceramic tile and stainless steel had the highest mean RE values (48.9 and 48.1%, respectively). Faux leather, vinyl tile, and painted wood had mean RE values of 30.3, 25.6, and 25.5, respectively, while plastic had the lowest mean RE (9.8%). Results show roughly linear dependences of RE and FNR on surface roughness, with smoother surfaces resulting in higher mean RFs and lower FNRs. REs were not influenced by the low spore concentrations tested (3.10 x 10(-3) to 1.86 CFU/cm(2)). Stainless steel had the lowest mean FNR (0.123), and plastic had the highest mean FNR (0.479). The LOD90 (>= 1 CFU detected 90% of the time) varied with surface material, from 0.015 CFU/cm(2) on stainless steel up to 0.039 on plastic. It may be possible to improve sampling results by considering surface roughness in selecting sampling locations and interpreting spore recovery data. Further, FNR values (calculated as a function of concentration and surface material) can be used presampling to calculate the numbers of samples for statistical sampling plans with desired performance and postsampling to calculate the confidence in characterization and clearance decisions. C1 [Krauter, Paula A.; Boucher, Raymond; Tezak, Matt; Einfeld, Wayne] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Piepel, Greg F.; Amidan, Brett G.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Krauter, PA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pkraute@snl.gov RI Robertson, Simon/D-1549-2012 FU Chemical and Biological Research and Development Branch of the Chemical and Biological Division in the Science and Technology Directorate of the Department of Homeland Security; US Department of Energy's National Nuclear Security [DE-AC04-AL8500]; US Department of Energy [DE-AC05-76RL01830] FX The Sandia National Laboratories (SNL) and Pacific Northwest National Laboratory (PNNL) work was funded by the Chemical and Biological Research and Development Branch of the Chemical and Biological Division in the Science and Technology Directorate of the Department of Homeland Security. SNL is a multiprogram national laboratory operated by Sandia Corporation, a Lockheed Martin company, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-AL8500. PNNL is a multiprogram national laboratory operated for the US Department of Energy by Battelle under contract DE-AC05-76RL01830. NR 45 TC 12 Z9 13 U1 0 U2 9 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 FEB PY 2012 VL 78 IS 3 BP 846 EP 854 DI 10.1128/AEM.07403-11 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 882WI UT WOS:000299594200028 PM 22138998 ER PT J AU Lee, KG Suzuki, N Spergel, DN AF Lee, Khee-Gan Suzuki, Nao Spergel, David N. TI MEAN-FLUX-REGULATED PRINCIPAL COMPONENT ANALYSIS CONTINUUM FITTING OF SLOAN DIGITAL SKY SURVEY Ly alpha FOREST SPECTRA SO ASTRONOMICAL JOURNAL LA English DT Article DE intergalactic medium; methods: data analysis; quasars: absorption lines; quasars: emission lines ID PROBABILITY-DISTRIBUTION FUNCTION; POWER SPECTRUM; DATA RELEASE; INTERGALACTIC MEDIUM; REDSHIFT DEPENDENCE; TRANSMITTED FLUX; QUASAR SPECTRA; ABSORPTION; OPACITY; SAMPLE AB Continuum fitting is an important aspect of Ly alpha forest science, since errors in the derived optical depths scale with the fractional continuum error. However, traditional methods of estimating continua in noisy and moderate-resolution spectra (e.g., Sloan Digital Sky Survey, SDSS; S/N less than or similar to 10 pixel(-1) and R 2000), such as power-law extrapolation or dividing by the mean spectrum, achieve no better than similar to 15% rms accuracy. To improve on this, we introduce mean-flux-regulated principal component analysis (MF-PCA) continuum fitting. In this technique, PCA fitting is carried out redward of the quasar Ly alpha line in order to provide a prediction for the shape of the Ly alpha forest continuum. The slope and amplitude of this continuum prediction is then corrected using external constraints for the Ly alpha forest mean flux. This requires prior knowledge of the mean flux, < F >, but significantly improves the accuracy of the flux transmission, F equivalent to exp(-tau), estimated from each pixel. From tests on mock spectra, we find that MF-PCA reduces the errors to 8% rms in S/N similar to 2 spectra, and <5% rms in spectra with S/N greater than or similar to 5. The residual Fourier power in the continuum is decreased by a factor of a few in comparison with dividing by the mean continuum, enabling Ly alpha flux power spectrum measurements to be extended to similar to 2x larger scales. Using this new technique, we make available continuum fits for 12,069 z > 2.3 Ly alpha forest spectra from SDSS Data Release 7 for use by the community. This technique is also applicable to future releases of the ongoing Baryon Oscillations Spectroscopic Survey, which obtains spectra for similar to 150,000 Ly alpha forest spectra at low signal-to-noise (S/N similar to 2). C1 [Lee, Khee-Gan; Spergel, David N.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Suzuki, Nao] Univ Calif Berkeley, EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Lee, KG (reprint author), Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. EM lee@astro.princeton.edu RI Spergel, David/A-4410-2011 FU Alfred P. Sloan Foundation; National Science Foundation; U.S. Department of Energy; National Aeronautics and Space Administration; Japanese Monbukagakusho; Max Planck Society; Higher Education Funding Council for England; American Museum of Natural History; Astrophysical Institute Potsdam; University of Basel; University of Cambridge; Case Western Reserve University; University of Chicago; Drexel University; Fermilab; Institute for Advanced Study; Japan Participation Group; Johns Hopkins University; Joint Institute for Nuclear Astrophysics; Kavli Institute for Particle Astrophysics and Cosmology; Korean Scientist Group; Chinese Academy of Sciences (LAMOST); Los Alamos National Laboratory; Max-Planck-Institute for Astronomy (MPIA); Max-Planck-Institute for Astrophysics (MPA); New Mexico State University; Ohio State University; University of Pittsburgh; University of Portsmouth; Princeton University; United States Naval Observatory; University of Washington FX Funding for the SDSS and SDSS-II has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, 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/.; The SDSS is managed by the Astrophysical Research Consortium for the Participating Institutions: the American Museum of Natural History, Astrophysical Institute Potsdam, University of Basel, University of Cambridge, 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 (MPIA), the Max-Planck-Institute for Astrophysics (MPA), 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 41 TC 25 Z9 25 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 EI 1538-3881 J9 ASTRON J JI Astron. J. PD FEB PY 2012 VL 143 IS 2 AR 51 DI 10.1088/0004-6256/143/2/51 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 885TL UT WOS:000299803600026 ER PT J AU Kenoyer, A Orozco, JJ Hamlin, DK Wilbur, DS Fisher, DR Hylarides, MD Axtman, A Frayo, SL Green, DJ Gopal, AK O'Donnell, P Press, OW Pagel, JM AF Kenoyer, A. Orozco, J. J. Hamlin, D. K. Wilbur, D. S. Fisher, D. R. Hylarides, M. D. Axtman, A. Frayo, S. L. Green, D. J. Gopal, A. K. O'Donnell, P. Press, O. W. Pagel, J. M. TI HAPLOIDENTICAL BONE MARROW TRANSPLANTATION USING ANTI-CD45 RADIOIMMUNOTHERAPY TO DECREASE RELAPSE IN A PRE-CLINICAL MURINE MODEL SO BIOLOGY OF BLOOD AND MARROW TRANSPLANTATION LA English DT Meeting Abstract CT BMT Tandem Meeting CY FEB 01-05, 2012 CL San Diego, CA C1 [Kenoyer, A.; Orozco, J. J.; Hylarides, M. D.; Axtman, A.; Frayo, S. L.; Green, D. J.; Gopal, A. K.; O'Donnell, P.; Press, O. W.; Pagel, J. M.] Fred Hutchinson Canc Res Ctr, Seattle, WA 98104 USA. [Orozco, J. J.; Hamlin, D. K.; Wilbur, D. S.; Green, D. J.; Gopal, A. K.; O'Donnell, P.; Press, O. W.; Pagel, J. M.] Univ Washington, Seattle, WA 98195 USA. [Fisher, D. R.] Pacific NW Natl Lab, Richland, WA 99352 USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1083-8791 J9 BIOL BLOOD MARROW TR JI Biol. Blood Marrow Transplant. PD FEB PY 2012 VL 18 IS 2 SU 2 MA 57 BP S224 EP S224 PG 1 WC Hematology; Immunology; Transplantation SC Hematology; Immunology; Transplantation GA 880HQ UT WOS:000299398600058 ER PT J AU Marina, OC Sanders, CK Mourant, JR AF Marina, Oana C. Sanders, Claire K. Mourant, Judith R. TI Correlating light scattering with internal cellular structures SO BIOMEDICAL OPTICS EXPRESS LA English DT Article ID RAT-LIVER; CELLS; ORGANELLES; TISSUE; SPECTROSCOPY; SIZE; PH AB The origins of side scattering from a fibroblast and cervical cell line were determined by comparing side-scatter images with images stained for lysosomes, nuclei, and mitochondria on a cell by cell basis. Lysosomes or nuclei are the most efficient type of scatterer depending on the cell type and incident light polarization. The relative scattering efficiencies of lysosomes and mitochondria were the same for both cell lines, while the scattering efficiencies of the nuclei differed. The percent of 90 degrees scattering from the nucleus, mitochondria, and lysosomes as well as the group of other internal cellular objects was estimated. The nucleus was the largest contributor to side scatter in the cervical carcinoma cells. The contributions of lysosomes, mitochondria, the nucleus, and particles unstained by either Hoechst, LysoSensor or MitoTracker ranges from similar to 20% to similar to 30% in fibroblast cells. The contribution of lysosomes to side scatter was much stronger when the incident light was polarized perpendicular to the scattering plane than when the polarization of the side scatter laser was parallel to the scattering plane. This dependence on side scatter polarization indicates that lysosomes contain scattering structures that are much smaller than the wavelength of light used in the measurements (785 nm). In conclusion, mitochondria were not found to be either the most efficient scatterer or to have the largest contribution to scattering in either cell line, in contrast to previous reports. Rather lysosomes, nuclei and unknown particles all have significant contributions to 90 degrees scattering and the contributions of some of these particles can be modulated by changing the polarization of the incident light. (C) 2012 Optical Society of America C1 [Marina, Oana C.; Sanders, Claire K.; Mourant, Judith R.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Marina, OC (reprint author), Los Alamos Natl Lab, Biosci Div, MS M888, Los Alamos, NM 87545 USA. EM jmourant@lanl.gov FU National Institutes of Health [CA071898]; National Center for Research Resources of NIH [P41-RR01315] FX We thank Hongzhao Tian for performing the cell culture. This work was supported by National Institutes of Health grant CA071898 and by the Los Alamos National Flow Cytometry Resource funded by the National Center for Research Resources of NIH (Grant P41-RR01315). NR 30 TC 21 Z9 21 U1 1 U2 18 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 2156-7085 J9 BIOMED OPT EXPRESS JI Biomed. Opt. Express PD FEB 1 PY 2012 VL 3 IS 2 BP 296 EP 312 PG 17 WC Biochemical Research Methods; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Biochemistry & Molecular Biology; Optics; Radiology, Nuclear Medicine & Medical Imaging GA 886WY UT WOS:000299886000008 PM 22312583 ER PT J AU Miao, HY Jin, X Perelson, AS Wu, HL AF Miao, Hongyu Jin, Xia Perelson, Alan S. Wu, Hulin TI Evaluation of Multitype Mathematical Models for CFSE-Labeling Experiment Data SO BULLETIN OF MATHEMATICAL BIOLOGY LA English DT Article DE CFSE-labeling; Cell cycle; Age-dependent multitype branching process; Cyton model; Smith-Martin model; Differential equation model; Agent-based model; Hybrid optimization; Parameter estimation ID GAMMA-RANDOM-VARIABLES; T-CELL PROLIFERATION; POPULATION-DYNAMICS; STOCHASTIC-MODEL; MULTIMODEL INFERENCE; LYMPHOCYTE DIVISION; GLOBAL OPTIMIZATION; FISSION YEAST; CUTTING EDGE; CYCLE MODELS AB Carboxy-fluorescein diacetate succinimidyl ester (CFSE) labeling is an important experimental tool for measuring cell responses to extracellular signals in biomedical research. However, changes of the cell cycle (e.g., time to division) corresponding to different stimulations cannot be directly characterized from data collected in CFSE-labeling experiments. A number of independent studies have developed mathematical models as well as parameter estimation methods to better understand cell cycle kinetics based on CFSE data. However, when applying different models to the same data set, notable discrepancies in parameter estimates based on different models has become an issue of great concern. It is therefore important to compare existing models and make recommendations for practical use. For this purpose, we derived the analytic form of an age-dependent multitype branching process model. We then compared the performance of different models, namely branching process, cyton, Smith-Martin, and a linear birth-death ordinary differential equation (ODE) model via simulation studies. For fairness of model comparison, simulated data sets were generated using an agent-based simulation tool which is independent of the four models that are compared. The simulation study results suggest that the branching process model significantly outperforms the other three models over a wide range of parameter values. This model was then employed to understand the proliferation pattern of CD4+ and CD8+ T cells under polyclonal stimulation. C1 [Miao, Hongyu; Wu, Hulin] Univ Rochester, Sch Med & Dent, Dept Biostat & Computat Biol, Rochester, NY 14642 USA. [Jin, Xia] Univ Rochester, Sch Med & Dent, Dept Med, Rochester, NY 14642 USA. [Jin, Xia] Univ Rochester, Sch Med & Dent, Dept Microbiol & Immunol, Rochester, NY 14642 USA. [Perelson, Alan S.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. RP Miao, HY (reprint author), Univ Rochester, Sch Med & Dent, Dept Biostat & Computat Biol, 601 Elmwood Ave,Box 630, Rochester, NY 14642 USA. EM hongyu_miao@urmc.rochester.edu FU NIAID/NIH [AI50020, AI052765, AI055290, AI065217, AI27658, AI28433, P30-AI078498, P01-AI071195]; NSF [PHY05-51164, 1P01 AI078907-01A] FX We would like to acknowledge the excellent and dedicated technical support of Huiyuan Chen, Rahel Bezabhie, and Julianne Nelson for the experiments. This research was supported by the NIAID/NIH grants AI50020, AI052765, AI055290, AI065217, AI27658, AI28433, P30-AI078498, P01-AI071195, NSF grant PHY05-51164, and 1P01 AI078907-01A. NR 81 TC 19 Z9 19 U1 0 U2 3 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 FEB PY 2012 VL 74 IS 2 BP 300 EP 326 DI 10.1007/s11538-011-9668-y PG 27 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 885AP UT WOS:000299750300002 PM 21681605 ER PT J AU Assary, RS Curtiss, LA AF Assary, Rajeev S. Curtiss, Larry A. TI Thermochemistry and Reaction Barriers for the Formation of Levoglucosenone from Cellobiose SO CHEMCATCHEM LA English DT Article DE biomass; cellobiose; computational chemistry; pyrolysis; sugars ID CELLULOSE PYROLYSIS; CATALYTIC CONVERSION; BIOMASS; ACID; FRUCTOSE; GLUCOSE; MODEL; FUELS; DECOMPOSITION; HYDROCARBONS C1 [Assary, Rajeev S.; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60438 USA. [Assary, Rajeev S.] Northwestern Univ, Evanston, IL 60208 USA. [Curtiss, Larry A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60438 USA. RP Assary, RS (reprint author), Argonne Natl Lab, Div Mat Sci, Argonne, IL 60438 USA. EM assary@anl.gov; curtiss@anl.gov RI Surendran Assary, Rajeev/E-6833-2012 OI Surendran Assary, Rajeev/0000-0002-9571-3307 FU U.S. Department of Energy [DE-AC0206CH11357]; Institute for Atom-efficient Chemical Transformations (IACT); U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences FX This work was supported by the U.S. Department of Energy under contract DE-AC0206CH11357. This material is based on work supported as part of the Institute for Atom-efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. We gratefully acknowledge grants of computer time from EMSL, a national scientific user facility located at Pacific Northwest National Laboratory, the ANL Laboratory Computing Resource Center (LCRC), and the ANL Center for Nanoscale Materials. NR 37 TC 23 Z9 23 U1 2 U2 34 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1867-3880 J9 CHEMCATCHEM JI ChemCatChem PD FEB PY 2012 VL 4 IS 2 BP 200 EP 205 DI 10.1002/cctc.201100280 PG 6 WC Chemistry, Physical SC Chemistry GA 883EM UT WOS:000299616800009 ER PT J AU Oterkus, E Madenci, E Weckner, O Silling, S Bogert, P Tessler, A AF Oterkus, Erkan Madenci, Erdogan Weckner, Olaf Silling, Stewart Bogert, Philip Tessler, Alexander TI Combined finite element and peridynamic analyses for predicting failure in a stiffened composite curved panel with a central slot SO COMPOSITE STRUCTURES LA English DT Article DE Progressive; Failure; Composites; Nonlocal; Peridynamic theory AB This study presents an analysis approach based on a merger of the finite element method and the peridynamic theory. Its validity is established through qualitative and quantitative comparisons against the test results for a stiffened composite curved panel with a central slot under combined internal pressure and axial tension. The predicted initial and final failure loads, as well as the final failure modes, are in close agreement with the experimental observations. This approach demonstrates the capability of the PD approach to assess the durability of complex composite structures. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Oterkus, Erkan; Madenci, Erdogan] Univ Arizona, Dept Aerosp & Mech Engn, Tucson, AZ 85721 USA. [Weckner, Olaf] Boeing Res & Technol, Seattle, WA 98124 USA. [Silling, Stewart] Sandia Natl Labs, Multiscale Dynam Mat Modeling Dept, Albuquerque, NM 87185 USA. [Bogert, Philip; Tessler, Alexander] NASA Langley Res Ctr, Struct Mech & Concepts Branch, Hampton, VA 23681 USA. RP Madenci, E (reprint author), Univ Arizona, Dept Aerosp & Mech Engn, Tucson, AZ 85721 USA. EM oterkus@email.arizona.edu; madenci@email.arizona.edu; Olaf.Weckner@boeing.com; sasilli@sandia.gov; philip.b.bogert@nasa.gov; alexander.tessler-1@nasa.gov NR 10 TC 32 Z9 35 U1 3 U2 26 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0263-8223 J9 COMPOS STRUCT JI Compos. Struct. PD FEB PY 2012 VL 94 IS 3 BP 839 EP 850 DI 10.1016/j.compstruct.2011.07.019 PG 12 WC Materials Science, Composites SC Materials Science GA 882WP UT WOS:000299594900005 ER PT J AU Desmarais, SM Leitner, T Barron, AE AF Desmarais, Samantha M. Leitner, Thomas Barron, Annelise E. TI Quantitative experimental determination of primer-dimer formation risk by free-solution conjugate electrophoresis SO ELECTROPHORESIS LA English DT Article DE CE; Dimerization; DNA barcodes; Drag-tag; Mobility shift assay ID STRAND CONFORMATION POLYMORPHISM; CAPILLARY ARRAY ELECTROPHORESIS; DNA DUPLEX STABILITY; MUTATION DETECTION; HIGH-THROUGHPUT; POLYMORPHISM/HETERODUPLEX ANALYSIS; DRAG-TAGS; SEQUENCE; MOBILITY; POLYMER AB DNA barcodes are short, unique ssDNA primers that mark individual biomolecules. To gain better understanding of biophysical parameters constraining primerdimer formation between primers that incorporate barcode sequences, we have developed a capillary electrophoresis method that utilizes drag-tag-DNA conjugates to quantify dimerization risk between primer-barcode pairs. Results obtained with this unique free-solution conjugate electrophoresis approach are useful as quantitatively precise input data to parameterize computation models of dimerization risk. A set of fluorescently labeled, model primer-barcode conjugates were designed with complementary regions of differing lengths to quantify heterodimerization as a function of temperature. Primerdimer cases comprised two 30-mer primers, one of which was covalently conjugated to a lab-made, chemically synthesized poly-N-methoxyethylglycine drag-tag, which reduced electrophoretic mobility of ssDNA to distinguish it from ds primerdimers. The drag-tags also provided a shift in mobility for the dsDNA species, which allowed us to quantitate primerdimer formation. In the experimental studies, pairs of oligonucleotide primer barcodes with fully or partially complementary sequences were annealed, and then separated by free-solution conjugate CE at different temperatures, to assess effects on primerdimer formation. When less than 30 out of 30 base-pairs were bonded, dimerization was inversely correlated to temperature. Dimerization occurred when more than 15 consecutive base-pairs formed, yet non-consecutive base-pairs did not create stable dimers even when 20 out of 30 possible base-pairs bonded. The use of free-solution electrophoresis in combination with a peptoid drag-tag and different fluorophores enabled precise separation of short DNA fragments to establish a new mobility shift assay for detection of primerdimer formation. C1 [Desmarais, Samantha M.; Barron, Annelise E.] Stanford Univ, Dept Bioengn, Stanford, CA 94305 USA. [Leitner, Thomas] Los Alamos Natl Lab, Los Alamos, NM USA. RP Desmarais, SM (reprint author), Stanford Univ, Dept Bioengn, 318 Campus Dr, Stanford, CA 94305 USA. EM sdesmar@stanford.edu FU National Institutes of Health [1 RC2 HG005596-01]; Los Alamos National Laboratory FX This work was supported by National Institutes of Health grant 1 RC2 HG005596-01 as well as a Los Alamos National Laboratory Director's Research grant. The authors thank Prof. Steven Wolinsky and members of his laboratory for help in acquiring primers, and Dr. Jennifer Lin for helpful discussions. NR 38 TC 4 Z9 5 U1 1 U2 14 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0173-0835 J9 ELECTROPHORESIS JI Electrophoresis PD FEB PY 2012 VL 33 IS 3 BP 483 EP 491 DI 10.1002/elps.201100452 PG 9 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 883JI UT WOS:000299629800010 PM 22331820 ER PT J AU Cheng, KW Agarwal, R Mitra, S Lee, JS Carey, M Gray, JW Mills, GB AF Cheng, Kwai Wa Agarwal, Roshan Mitra, Shreya Lee, Ju-Seog Carey, Mark Gray, Joe W. Mills, Gordon B. TI Rab25 increases cellular ATP and glycogen stores protecting cancer cells from bioenergetic stress SO EMBO MOLECULAR MEDICINE LA English DT Article DE AKT; bioenergetic; cell death; glycogen; Rab25 ID GLYCOLYSIS INHIBITION; METABOLIC STRESS; MAMMALIAN TARGET; BREAST CANCERS; PROTEIN-KINASE; AKT; AUTOPHAGY; OVARIAN; 2-DEOXY-D-GLUCOSE; TUMORIGENESIS AB Cancer cells are metabolically stressed during tumour progression due to limited tumour vascularity and resultant nutrient, growth factor and oxygen deficiency that can induce cell death and inhibit tumour growth. We demonstrate that Rab25, a small GTPase involved in endosomal recycling, that is genomically amplified in multiple tumour lineages, is a key regulator of cellular bioenergetics and autophagy. RAB25 enhanced survival during nutrient stress by preventing apoptosis and autophagy via binding and activating AKT leading to increased glucose uptake and improved cellular bioenergetics. Unexpectedly, Rab25 induced the accumulation of glycogen in epithelial cancer cells, a process not previously identified. Strikingly, an increase in basal ATP levels combined with AKT-dependent increases in glucose uptake and glycogen storage allowed maintenance of ATP levels during bioenergetic stress. The clinical relevance of these findings was validated by the ability of a Rab25-dependent expression profile enriched for bioenergetics targets to identify patients with a poor prognosis. Thus, Rab25 is an unexpected regulator of cellular bioenergetics implicated as a useful biomarker and potential therapeutic target. C1 [Cheng, Kwai Wa; Agarwal, Roshan; Mitra, Shreya; Lee, Ju-Seog; Carey, Mark; Mills, Gordon B.] Univ Texas MD Anderson Canc Ctr, Dept Syst Biol, Houston, TX 77030 USA. [Gray, Joe W.] Lawrence Berkley Natl Lab, Berkeley, CA USA. RP Cheng, KW (reprint author), Univ Texas MD Anderson Canc Ctr, Dept Syst Biol, Houston, TX 77030 USA. EM kwcheng@mdanderson.org FU Breast SPORE Career Development Award; Department of Defense [W81XWH-06-1-0488]; Cancer Research UK [C2757/A5902]; National Institutes of Health SPORE [P50-CA83639]; PPG [CA64602]; Cancer Center [CA16672]; Ovarian Cancer Research Fund; [CA16672-28] FX This work was supported by Breast SPORE Career Development Award and Department of Defense Breast Idea Award W81XWH-06-1-0488 to KWC, Cancer Research UK Clinician Scientist Fellowship C2757/A5902 to RA, National Institutes of Health SPORE (P50-CA83639) and PPG CA64602 to GBM and JWG, P30 grant CA16672-28 and Cancer Center Core Grant CA16672 and Ovarian Cancer Research Fund to GMB. NR 52 TC 24 Z9 26 U1 0 U2 11 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1757-4676 J9 EMBO MOL MED JI EMBO Mol. Med. PD FEB PY 2012 VL 4 IS 2 BP 125 EP 141 DI 10.1002/emmm.201100193 PG 17 WC Medicine, Research & Experimental SC Research & Experimental Medicine GA 884WI UT WOS:000299739100007 PM 22253197 ER PT J AU Cherry, RS Aumeier, SE Boardman, RD AF Cherry, Robert S. Aumeier, Steven E. Boardman, Richard D. TI Large hybrid energy systems for making low CO2 load-following power and synthetic fuel SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article AB Hybrid energy systems using nuclear heat sources can economically produce load-following electrical power by exploiting their surplus generation capacity, available at night or seasonally, to make synthetic fuel. Vehicle fuel is the only current energy use large enough to absorb all the energy capacity that might be diverted from the power industry, and its ease of storage obviates problems with discontinuous synfuel production. The potential benefits and challenges of synfuels integration are illustrated by the production of methanol from natural gas (as a source of carbon) using steam from a light water nuclear power reactor which is assumed to be available in accord with a year's worth of power demand data. The synthesis of methanol is easily adapted to using 300 degrees C heat from a light water reactor and this simple compound can be further processed into gasoline, biodiesel (to esterify vegetable oils), or dimethyl ether, fuels which can be used with the current vehicle fleet. A supplemental feed to the methanol process of natural gas (for energy) allows operation at constant full rate when the nuclear heat is being used to produce electrical power. The higher capital costs of such a system are offset by a lower cost of heat and power production from a large base load type of plant and by reduced costs associated with much lower CO2 emissions. Other less tangible economic benefits of this and similar hybrid systems include better use of natural resources for fuels and greater energy supply reliability from the domestic production of vehicle fuel. C1 [Cherry, Robert S.; Aumeier, Steven E.; Boardman, Richard D.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Cherry, RS (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM robert.cherry@inl.gov FU INL Laboratory under DOE Idaho Operations Office [DE-AC07-05ID14517] FX The authors thank the following people for thoughtful discussions on various aspects of this subject: Robert Breckenridge, Craig Cooper, Michael Reed, and Joseph Smith. Lance Lauerhass developed the energy balance of the revised methanol process using low temperature nuclear heat. This work was supported through the INL Laboratory Directed Research & Development Program under DOE Idaho Operations Office Contract DE-AC07-05ID14517. NR 15 TC 7 Z9 7 U1 1 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD FEB PY 2012 VL 5 IS 2 BP 5489 EP 5497 DI 10.1039/c1ee02731j PG 9 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 881QV UT WOS:000299502300003 ER PT J AU Hernandez-Noyola, H Potterveld, DH Holt, RJ Darling, SB AF Hernandez-Noyola, Hermilo Potterveld, David H. Holt, Roy J. Darling, Seth B. TI Optimizing luminescent solar concentrator design SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID DETAILED BALANCE LIMIT; EFFICIENCY; DEVICES; CELLS AB Luminescent Solar Concentrators (LSCs) use fluorescent materials and light guides to convert direct and diffuse sunlight into concentrated wavelength-shifted light that produces electrical power in small photovoltaic (PV) cells with the goal of significantly reducing the cost of solar energy utilization. In this paper we present an optimization analysis based on the implementation of a genetic algorithm (GA) subroutine to a numerical ray-tracing Monte Carlo model of an LSC, SIMSOLAR-P. The initial use of the GA implementation in SIMSOLAR-P is to find the optimal parameters of a hypothetical "perfect luminescent material" that obeys the Kennard Stepanov (K-S) thermodynamic relationship between emission and absorption. The optimization balances the efficiency losses in the wavelength shift and PV conversion with the efficiency losses due to re-scattering of light out of the collector. The theoretical limits of efficiency are provided for one, two and three layer configurations; the results show that a single layer configuration is far from optimal and adding a second layer in the LSC with wavelength shifted material in the near infrared region significantly increases the power output, while the gain in power by adding a third layer is relatively small. The results of this study provide a theoretical upper limit to the performance of an LSC and give guidance for the properties required for luminescent materials, such as quantum nanocrystals, to operate efficiently in planar LSC configurations. C1 [Hernandez-Noyola, Hermilo; Potterveld, David H.; Holt, Roy J.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Darling, Seth B.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Hernandez-Noyola, H (reprint author), Argonne Natl Lab, Div Phys, 9700 S Cass Ave, Argonne, IL 60439 USA. EM holt@anl.gov RI Holt, Roy/E-5803-2011 FU DOE offices of Nuclear Physics and Basic Energy Sciences [DE-AC02-06CH11357] FX We thank George Crabtree, Arnaud Demortiere, Jeffrey Guest, Ewing Lusk, Matthew Pelton, Tijana Rajh, Chunxing She, Elena Shevchenko, Dmitri Talapin and Gary Wiederrecht for useful discussions. This work was partially supported by the DOE offices of Nuclear Physics and Basic Energy Sciences with contract no. DE-AC02-06CH11357. NR 18 TC 29 Z9 29 U1 2 U2 38 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PD FEB PY 2012 VL 5 IS 2 BP 5798 EP 5802 DI 10.1039/c1ee02376d PG 5 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 881QV UT WOS:000299502300029 ER PT J AU Henningsen, JP Irschick, DJ AF Henningsen, Justin P. Irschick, Duncan J. TI An experimental test of the effect of signal size and performance capacity on dominance in the green anole lizard SO FUNCTIONAL ECOLOGY LA English DT Article DE Anolis carolinensis; bite force; body condition; dewlap; staged encounters; whole-organism performance ID MALE MATING SUCCESS; SEXUAL SELECTION; FIGHTING ABILITY; LOCOMOTOR PERFORMANCE; ASSESSMENT STRATEGIES; ANIMAL CONTESTS; BODY CONDITION; DEWLAP SIZE; CAROLINENSIS; BEHAVIOR AB 1. Many animals use signals to resolve disputes over resources. Some signals act as reliable indicators of other traits, such as whole-organism performance or body condition, which may also be important for resolving disputes. Because of the correlations inherent in reliable signals, it is challenging to determine which variables are directly relevant for resolving aggressive interactions. 2. We examined the relationships among dewlap size, bite force and condition, all traits that may be important to conflict resolution in male green anole lizards (Anolis carolinensis). Using a large sample of wild-caught animals, we showed significant positive correlations between dewlap size and maximum bite force capacity, when each trait is corrected for its correlation with body size. 3. We tested the relative importance of each trait to the outcome of interactions in a subset of our sample. We staged dominance encounters between size-matched male green anoles after surgically reducing the dewlap size of one competitor. 4. We show that reducing the size of the dewlap does not significantly change the outcome of staged interactions. Rather, males with higher values of bite force capacity were more likely to win fights. We hypothesize that during close-proximity aggressive interactions, male green anoles use more direct means of assessing one another and that dewlap size functions as a signal of bite force primarily during long-distance territorial displays. Body condition was correlated with bite force, but did not differ significantly between winners and losers. 5. Our results show how an experimental approach can decouple reliable signals from their correlated traits to test which factors influence male contest resolution. C1 [Henningsen, Justin P.; Irschick, Duncan J.] Univ Massachusetts, Grad Program Organism & Evolutionary Biol, Amherst, MA 01003 USA. [Henningsen, Justin P.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29803 USA. [Irschick, Duncan J.] Univ Massachusetts, Dept Biol, Amherst, MA 01003 USA. RP Henningsen, JP (reprint author), Univ Massachusetts, Grad Program Organism & Evolutionary Biol, 319 Morrill S,611 N Pleasant St, Amherst, MA 01003 USA. EM justinh@bio.umass.edu FU Department of Energy [DE-FC-09-075R22506]; National Science Foundation; Society for Integrative and Comparative Biology; agency of the United States Government FX This material is based upon work supported by the Department of Energy under Award Number DE-FC-09-075R22506 to the Savannah River Ecology Laboratory, with additional support from the National Science Foundation Graduate Research Fellowship, the Society for Integrative and Comparative Biology Fellowship for Graduate Student Travel and the University of Massachusetts Natural History Collection Jane Hallenbeck Bemis Endowment for Research in Natural History. We thank A. K. Lappin, B. DeGregario, J. Podos, E. Jakob, B. Elwood, M. Bee and two anonymous reviewers for comments on the manuscript, B. Morris and B. DeGregorio for assistance with animal collection and T. Tuberville for generous logistical support. Animals were collected with South Carolina State permit G-09-03. All work was conducted with approved animal use protocols from University of Massachusetts (#28-10-01) and University of Georgia (#A2009-10092).; 'This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof'. NR 70 TC 18 Z9 18 U1 4 U2 42 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0269-8463 EI 1365-2435 J9 FUNCT ECOL JI Funct. Ecol. PD FEB PY 2012 VL 26 IS 1 BP 3 EP 10 DI 10.1111/j.1365-2435.2011.01893.x PG 8 WC Ecology SC Environmental Sciences & Ecology GA 877SZ UT WOS:000299204300002 ER PT J AU Dobson, PF Ghezzehei, TA Cook, PJ Rodriguez-Pineda, JA Villalba, L De la Garza, R AF Dobson, Patrick F. Ghezzehei, Teamrat A. Cook, Paul J. Alfredo Rodriguez-Pineda, J. Villalba, Lourdes De la Garza, Rodrigo TI Heterogeneous seepage at the Nopal I natural analogue site, Chihuahua, Mexico SO HYDROGEOLOGY JOURNAL LA English DT Article DE Fractured rocks; Unsaturated zone; Seepage; Mexico ID SIERRA PENA BLANCA; ROCK UNDERGROUND EXCAVATIONS; UNSATURATED FRACTURED ROCK; LARGE-SCALE FLOW; YUCCA-MOUNTAIN; URANIUM DEPOSIT; CONTINUUM APPROACH; TRACER EXPERIMENT; MODEL; TRANSPORT AB A study of seepage occurring in an adit at the Nopal I uranium mine in Chihuahua, Mexico, was conducted as part of an integrated natural analogue study to evaluate the effects of infiltration and seepage on the mobilization and transport of radionuclides. An instrumented seepage collection system and local automated weather station permit direct correlation between local precipitation events and seepage. Field observations recorded between April 2005 and December 2006 indicate that seepage is highly heterogeneous with respect to time, location, and quantity. Seepage, precipitation, and fracture data were used to test two hypotheses: (1) that fast flow seepage is triggered by large precipitation events, and (2) that an increased abundance of fractures and/or fracture intersections leads to higher seepage volumes. A few zones in the back adit recorded elevated seepage volumes immediately following large (> 20 mm/day) precipitation events, with transit times of less than 4 h through the 8-m thick rock mass. In most locations, there is a 1-6 month time lag between the onset of the rainy season and seepage, with longer times observed for the front adit. There is a less clear-cut relation between fracture abundance and seepage volume; processes such as evaporation and surface flow along the ceiling may also influence seepage. C1 [Dobson, Patrick F.; Cook, Paul J.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Ghezzehei, Teamrat A.] Univ Calif, Sch Nat Sci, Merced, CA 95343 USA. RP Dobson, PF (reprint author), Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM pfdobson@lbl.gov RI Ghezzehei, Teamrat/G-7483-2011; Dobson, Patrick/D-8771-2015; Cook, Paul/I-4788-2016 OI Ghezzehei, Teamrat/0000-0002-0287-6212; Dobson, Patrick/0000-0001-5031-8592; FU U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy Contract No. DE-AC02-05CH11231. 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. The views and opinions of authors expressed in this article do not necessarily state or reflect those of the United States Government or any agency thereof or The Regents of the University of California. A. Simmons (LANL) was instrumental in initiating the Pena Blanca natural analogue project, and S. Levy (LANL) provided helpful oversight during later stages of the project. J. Dinsmoor and A. Mitchell (LANL) ensured that our field study was conducted safely and provided helpful logistical support. P. Goodell (UTEP), I. Reyes (UACH), and M. Fayek (U. Manitoba) shared useful insights about the Nopal I deposit. T. Kneafsey (LBNL), S. Finsterle (LBNL), G. Saulnier (Areva), and A. Bagtzoglou (UConn) provided us with helpful reviews of this work. We thank V. Reyes (Centro de Investigacion sobre Sequia, Instituto de Ecologia, A.C.) for his support of our field study and A. L. Saucedo and O. Hinojosa for their assistance in the field. We also thank Ing. A. Gonzalez S. (Servicio Meteorologico Nacional) for providing us with historical meteorological data for the now-defunct Los Pozos weather station. NR 40 TC 3 Z9 3 U1 0 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1431-2174 J9 HYDROGEOL J JI Hydrogeol. J. PD FEB PY 2012 VL 20 IS 1 BP 155 EP 166 DI 10.1007/s10040-011-0783-5 PG 12 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA 884LM UT WOS:000299706800012 ER PT J AU Sharma, S Shi, Y Hou, YT Sherali, HD Kompella, S Midkiff, SF AF Sharma, Sushant Shi, Yi Hou, Y. Thomas Sherali, Hanif D. Kompella, Sastry Midkiff, Scott F. TI Joint Flow Routing and Relay Node Assignment in Cooperative Multi-Hop Networks SO IEEE JOURNAL ON SELECTED AREAS IN COMMUNICATIONS LA English DT Article DE Cooperative communications; flow routing; relay assignment; multi-hop; wireless network ID AD HOC NETWORKS; WIRELESS NETWORKS; DIVERSITY; THROUGHPUT; STRATEGIES; ALLOCATION AB It has been shown that cooperative communications (CC) has the potential to significantly increase the capacity of wireless networks. However, most of the existing results are limited to single-hop wireless networks. To explore the behavior of CC in multi-hop wireless networks, we study a joint optimization problem of relay node assignment and flow routing for a group of sessions. We develop a mathematical model and propose a solution procedure based on the branch-and-bound framework augmented with cutting planes (BB-CP). We design several novel components to speed-up the computational time of BB-CP. Via numerical results, we show the potential rate gain that can be achieved by incorporating CC in multi-hop networks. C1 [Sharma, Sushant] Brookhaven Natl Lab, Upton, NY 11705 USA. [Sharma, Sushant; Shi, Yi; Hou, Y. Thomas; Sherali, Hanif D.; Midkiff, Scott F.] Virginia Tech, Blacksburg, VA 24061 USA. [Kompella, Sastry] USN, Res Lab, Washington, DC 20375 USA. RP Sharma, S (reprint author), Brookhaven Natl Lab, Upton, NY 11705 USA. EM sushant@bnl.gov; yshi@vt.edu; thou@vt.edu; han-ifs@vt.edu; sastry.kompella@nrl.navy.mil; midkiff@vt.edu OI Midkiff, Scott/0000-0003-4933-7360 FU NSF [CNS-1064953]; ONR FX The work of Y.T. Hou, H.D. Sherali, and S.F. Midkiff was supported in part by NSF under grant CNS-1064953. The work of S. Kompella was supported in part by the ONR. NR 24 TC 15 Z9 16 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0733-8716 J9 IEEE J SEL AREA COMM JI IEEE J. Sel. Areas Commun. PD FEB PY 2012 VL 30 IS 2 BP 254 EP 262 DI 10.1109/JSAC.2012.120203 PG 9 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 881TL UT WOS:000299512000003 ER PT J AU Romero, N Xu, NX Nozick, LK Dobson, I Jones, D AF Romero, Natalia Xu, Ningxiong Nozick, Linda K. Dobson, Ian Jones, Dean TI Investment Planning for Electric Power Systems Under Terrorist Threat SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Decision support system; game theory; load flow analysis; power system security; systems engineering ID RELIABILITY TEST SYSTEM; GRID SECURITY; INTEGER; FORMULATION; SOLVE AB Access to electric power is critical to societal welfare. In this paper, we analyze the interaction between a defender and a terrorist who threatens the operation of an electric power system. The defender wants to find a strategic defense to minimize the consequences of an attack. Both parties have limited budgets and behave in their own self-interest. The problem is formulated as a multi-level mixed-integer programming problem. A Tabu Search with an embedded greedy algorithm for the attack problem is implemented to find the optimum defense strategy. We apply the algorithm to a 24-bus network for a combination of four different defense budgets, three attack budgets, and three assumptions as to how the terrorists craft their attacks. C1 [Romero, Natalia; Xu, Ningxiong; Nozick, Linda K.] Cornell Univ, Sch Civil & Environm Engn, Ithaca, NY 14853 USA. [Dobson, Ian] Univ Wisconsin, Dept Elect & Comp Engn, Madison, WI 53706 USA. [Jones, Dean] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Romero, N (reprint author), Cornell Univ, Sch Civil & Environm Engn, Ithaca, NY 14853 USA. EM nr229@cornell.edu; lkn3@cornell.edu RI 李, 涵/B-4995-2012; Dobson, Ian/C-3989-2008 OI Dobson, Ian/0000-0001-7018-5475 FU DOE [DESC0002283]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported in part by DOE grant DESC0002283. 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. Paper no. TPWRS-00592-2010. NR 30 TC 16 Z9 20 U1 4 U2 13 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD FEB PY 2012 VL 27 IS 1 BP 108 EP 116 DI 10.1109/TPWRS.2011.2159138 PG 9 WC Engineering, Electrical & Electronic SC Engineering GA 881RV UT WOS:000299506300011 ER PT J AU Wang, QF Guan, YP Wang, JH AF Wang, Qianfan Guan, Yongpei Wang, Jianhui TI A Chance-Constrained Two-Stage Stochastic Program for Unit Commitment With Uncertain Wind Power Output SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Chance-constrained optimization; sample average approximation; unit commitment; wind power ID AVERAGE APPROXIMATION METHOD; GENERATION; TRANSMISSION; DISPATCH AB In this paper, we present a unit commitment problem with uncertain wind power output. The problem is formulated as a chance-constrained two-stage (CCTS) stochastic program. Our model ensures that, with high probability, a large portion of the wind power output at each operating hour will be utilized. The proposed model includes both the two-stage stochastic program and the chance-constrained stochastic program features. These types of problems are challenging and have never been studied together before, even though the algorithms for the two-stage stochastic program and the chance-constrained stochastic program have been recently developed separately. In this paper, a combined sample average approximation (SAA) algorithm is developed to solve the model effectively. The convergence property and the solution validation process of our proposed combined SAA algorithm is discussed and presented in the paper. Finally, computational results indicate that increasing the utilization of wind power output might increase the total power generation cost, and our experiments also verify that the proposed algorithm can solve large-scale power grid optimization problems. C1 [Wang, Qianfan; Guan, Yongpei] Univ Florida, Dept Ind & Syst Engn, Gainesville, FL 32611 USA. [Wang, Jianhui] Argonne Natl Lab, Argonne, IL 60439 USA. RP Wang, QF (reprint author), Univ Florida, Dept Ind & Syst Engn, Gainesville, FL 32611 USA. EM qfwang@ufl.edu; guan@ise.ufl.edu; jianhui.wang@anl.gov FU U.S. National Science Foundation under CAREER [CMMI-0748204]; U.S. Department of Defense under Office of Naval Research [N000141010749] FX This work was supported in part by the U.S. National Science Foundation under CAREER Award CMMI-0748204 and in part by the U.S. Department of Defense under Office of Naval Research Young Investigator Award N000141010749. Paper no. TPWRS-00822-2010. NR 23 TC 127 Z9 146 U1 4 U2 33 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD FEB PY 2012 VL 27 IS 1 BP 206 EP 215 DI 10.1109/TPWRS.2011.2159522 PG 10 WC Engineering, Electrical & Electronic SC Engineering GA 881RV UT WOS:000299506300022 ER PT J AU Pa, A Craven, JS Bi, XTT Melin, S Sokhansanj, S AF Pa, Ann Craven, Jill S. Bi, Xiaotao T. Melin, Staffan Sokhansanj, Shahab TI Environmental footprints of British Columbia wood pellets from a simplified life cycle analysis SO INTERNATIONAL JOURNAL OF LIFE CYCLE ASSESSMENT LA English DT Article DE British Columbia; Impact assessment; Life cycle assessment (LCA); Wood pellets; Wood residues ID GREENHOUSE-GAS; IMPACT ASSESSMENT; NET ENERGY; MICROALGAE; TRANSPORT; ETHANOL; EUROPE AB Environmental footprints of wood pellets produced in British Columbia (BC) of Canada are to be estimated based on industry surveys and published emission factor data. The streamlined life cycle analysis starts from raw material acquisition and ends at port Rotterdam in Europe for exported pellets or North Vancouver port for domestically used pellets. The raw materials used for pellet production are dry and wet sawmill residues, and allocations are based on dry mass. The pellet production data are based on three pellets mills in western Canada. For every tonne of BC pellets exported, 295 kg CO2 equivalent greenhouse gases is released. The human health, ecosystem quality, and climate change impacts of the exported pellets can be reduced by 61%, 66%, and 53%, respectively, if the pellets stay in BC for local applications. Harvesting is the second highest impacting process, following marine transportation. The total amount of primary energy consumed for 1 tonne of exported pellets is 6,372 MJ, and approximately 35% of it is attributed to marine transportation. Exported pellets have 16.4% of nonrenewable energy content and an energy penalty of 33% with energy penalty defined as the amount of primary energy consumed to produce and deliver one unit of process energy using the higher heating value. For domestically used pellets, the energy penalty is 21% and the nonrenewable energy content is 8.59%. Marine transportation is the main contributor for all impact categories. Improving the energy efficiency of the harvesting and pellet plant operations is also a way to effectively reduce these wood pellet's environmental footprints. C1 [Pa, Ann; Craven, Jill S.; Bi, Xiaotao T.; Melin, Staffan; Sokhansanj, Shahab] Univ British Columbia, Clean Energy Res Ctr, Vancouver, BC V6T 1Z3, Canada. [Craven, Jill S.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Sokhansanj, Shahab] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Bi, XTT (reprint author), Univ British Columbia, Clean Energy Res Ctr, 2360 East Mall, Vancouver, BC V6T 1Z3, Canada. EM xbi@chbe.ubc.ca NR 32 TC 19 Z9 19 U1 3 U2 46 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0948-3349 J9 INT J LIFE CYCLE ASS JI Int. J. Life Cycle Assess. PD FEB PY 2012 VL 17 IS 2 BP 220 EP 231 DI 10.1007/s11367-011-0358-7 PG 12 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 881SM UT WOS:000299508800012 ER PT J AU Finneran, E Crosson, P O'Kiely, P Shalloo, L Forristal, D Wallace, M AF Finneran, E. Crosson, P. O'Kiely, P. Shalloo, L. Forristal, D. Wallace, M. TI Stochastic simulation of the cost of home-produced feeds for ruminant livestock systems SO JOURNAL OF AGRICULTURAL SCIENCE LA English DT Article ID DAIRY FARMS; RISK; MODELS AB An agro-economic simulation model was developed to facilitate comparison of the impact of management, market and biological factors on the cost of providing ruminant livestock with feed grown on the farm (home produced feed). Unpredictable year-to-year variation in crop yields and input prices were identified as quantifiable measures of risk affecting feed cost. Stochastic analysis was used to study the impact of yield and input price risk on the variability of feed cost for eight feeds grown in Ireland over a 10-year period. Intensively grazed perennial ryegrass was found to be the lowest cost feed in the current analysis (mean cost 7471000 Unite Fourragere Viande (UFV)). Yield risk was identified as the greatest single factor affecting feed cost variability. At mean prices and yields, purchased rolled barley was found to be 3% less costly than home-produced spring-sown barley. However, home-produced spring barley was marginally less risky than purchased barley (coefficient of variation (CV) 0.063 v. 0.064). Feed crops incurring the greatest proportion of fixed costs and area-dependent variable costs, including bunker grass silage, were the most sensitive to yield fluctuations. The most energy input-intensive feed crops, such as grass silage, both baled and bunker ensiled, were deemed most susceptible to input price fluctuations. Maize silage was the most risky feed crop (CV 0.195), with potential to be both the cheapest and the most expensive conserved feed. C1 [Finneran, E.; Crosson, P.; O'Kiely, P.] TEAGASC, Anim & Grassland Res & Innovat Ctr, Dunsany, Meath, Ireland. [Finneran, E.; Wallace, M.] Univ Coll Dublin, Sch Agr Food Sci & Vet Med, Dublin 4, Ireland. [Shalloo, L.] TEAGASC, Anim & Grassland Res & Innovat Ctr, Moorepark, Fermoy County C, Ireland. [Forristal, D.] TEAGASC, Crops Res Ctr, Carlow, County Carlow, Ireland. RP Crosson, P (reprint author), TEAGASC, Anim & Grassland Res & Innovat Ctr, Dunsany, Meath, Ireland. EM paul.crosson@teagasc.ie FU Walsh Fellowship FX The authors acknowledge the financial support of Walsh Fellowship funding to E. Finneran. The authors would also like to thank D. Grogan, B. O'Reilly and the staff of the Irish Department of Agriculture, Fisheries and Food for providing the crop yield data. NR 39 TC 24 Z9 24 U1 2 U2 12 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0021-8596 J9 J AGR SCI JI J. Agric. Sci. PD FEB PY 2012 VL 150 BP 123 EP 139 DI 10.1017/S002185961100061X PN 1 PG 17 WC Agriculture, Multidisciplinary SC Agriculture GA 885DS UT WOS:000299759300011 ER PT J AU Baszczuk, A Dabrowski, B Kolesnik, S Chmaissem, O Avdeev, M AF Baszczuk, A. Dabrowski, B. Kolesnik, S. Chmaissem, O. Avdeev, M. TI Structural and physical properties of Re substituted B-site ordered and disordered SrCo1-xRexO3-delta (x=0.1, 0.25, 0.5) SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Perovskite; Magnetic structure; Rietveld analysis; Neutron powder diffraction; Antiferromagnetic; Cation ordering ID FINE-STRUCTURE SPECTROSCOPY; TRANSPORT-PROPERTIES; NEUTRON-DIFFRACTION; MAGNETIC-PROPERTIES; DOUBLE PEROVSKITES; COBALT; TRANSITIONS; MOSSBAUER; CRYSTAL; OXIDES AB Synthesis conditions, structural, magnetic and transport properties have been studied for SrCo1-xRexO3-delta samples with x=0.1, 0.25, 0.5. SrCo0.9Re0.1O3-delta forms in air and remains stable on cooling indicating that small amounts of Re7+ stabilize a B-site disordered Pm-3m phase inhibiting formation of a hexagonal phase observed for SrCoO3-delta. After oxygenation SrCo0.9Re0.1O2.94 becomes ferromagnetic below 125 K and shows metallic-like conductivity with moderate magnetoresistance at low temperatures. Fully oxygenated double perovskite Sr2CoReO6 (x=0.5) forms under reducing conditions and is tetragonal at room temperature. A hysteretic transition to the antiferromagnetic state at low temperatures (similar to 50-60 K) is coupled with a drastic change of electronic and thermal properties. Contrary to previous reports [A. Nag et al., Chem. Mater. 20(13) (2008) 4420-4424] SrCo0.75Re0.25O3 is not a partially cation ordered Sr4Co3ReO12 phase, but a mixture of two structural and magnetic phases with disordered SrCo1-xdRexdO3 and ordered SrCo1-xoRexoO3 compositions where xd > 0.1 and xo < 0.5. (C) 2011 Elsevier Inc. All rights reserved. C1 [Baszczuk, A.] Wroclaw Univ Technol, Inst Mat Sci & Appl Mech, PL-50370 Wroclaw, Poland. [Dabrowski, B.; Kolesnik, S.; Chmaissem, O.] No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. [Dabrowski, B.; Kolesnik, S.; Chmaissem, O.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Avdeev, M.] Australian Nucl Sci & Technol Org, Bragg Inst, Menai, NSW 2234, Australia. RP Baszczuk, A (reprint author), Wroclaw Univ Technol, Inst Mat Sci & Appl Mech, PL-50370 Wroclaw, Poland. EM agnieszka.baszczuk@pwr.wroc.pl RI Avdeev, Maxim/A-5625-2008; OI Avdeev, Maxim/0000-0003-2366-5809; Baszczuk, Agnieszka/0000-0001-5476-352X FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Wroclaw University of Technology [S10057/119]; [NSF-DMR-0706610] FX Work at NIU was supported by the NSF-DMR-0706610. Work at Argonne was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract DE-AC02-06CH11357. Work at Institute of Materials Science and Applied Mechanics was supported by Wroclaw University of Technology (grant No. S10057/119). NR 33 TC 2 Z9 2 U1 3 U2 37 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 FEB PY 2012 VL 186 BP 240 EP 246 DI 10.1016/j.jssc.2011.12.017 PG 7 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 885SP UT WOS:000299801400037 ER PT J AU Padmanabhan, V Frischknecht, AL Mackay, ME AF Padmanabhan, Venkat Frischknecht, Amalie L. Mackay, Michael E. TI Effect of Chain Stiffness on Nanoparticle Segregation in Polymer/Nanoparticle Blends Near a Substrate SO MACROMOLECULAR THEORY AND SIMULATIONS LA English DT Article DE melts; molecular dynamics simulations; nanoparticles; stiffness; thin films ID SEMIFLEXIBLE POLYMER MELTS; MONTE-CARLO-SIMULATION; THIN POLYSTYRENE FILMS; MOLECULAR-DYNAMICS; SURFACE-DEFECTS; PHASE-BEHAVIOR; PARTICLES; MIXTURES; TRANSITION; MODEL AB Nanoparticles in a flexible polymer melt film often segregate to the substrate due to attractive depletion interactions between the nanoparticles and the substrate. Here, molecular dynamics simulations are performed to study the effect of chain stiffness on this segregation. The nanoparticles are modeled as spheres and the polymers as semi-flexible bead-spring chains. Both purely repulsive and attractive forces are considered, while assuming non-selective interactions among all species. The nanoparticles are found to be well-dispersed in the system having repulsive forces only and aggregate into clusters in the completely attractive system. For the repulsive system, adding chain stiffness substantially decreases the nanoparticles' segregation, and hence their concentration, at the substrate. C1 [Frischknecht, Amalie L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Padmanabhan, Venkat; Mackay, Michael E.] Univ Delaware, Dept Mat Sci & Engn, Newark, DE 19716 USA. RP Frischknecht, AL (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. EM alfrisc@sandia.gov RI Padmanabhan, Venkat/G-2798-2013; Frischknecht, Amalie/N-1020-2014 OI Frischknecht, Amalie/0000-0003-2112-2587 FU U.S. Department of Energy [DE-FG02-05ER46211]; Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility at Los Alamos National Laboratory [DE-AC52-06NA25396]; Sandia National Laboratories [DE-AC04-94AL85000] FX The authors would like to thank the U.S. Department of Energy for funding this research under grant number DE-FG02-05ER46211. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility at Los Alamos National Laboratory (Contract DE-AC52-06NA25396), and Sandia National Laboratories (Contract DE-AC04-94AL85000). NR 43 TC 11 Z9 11 U1 1 U2 44 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1022-1344 J9 MACROMOL THEOR SIMUL JI Macromol. Theory Simul. PD FEB PY 2012 VL 21 IS 2 BP 98 EP 105 DI 10.1002/mats.201100048 PG 8 WC Polymer Science SC Polymer Science GA 886BE UT WOS:000299824600004 ER PT J AU Tupper, CN Brown, DW Field, RD Sisneros, TA Clausen, B AF Tupper, Catherine N. Brown, Don W. Field, Robert D. Sisneros, Thomas A. Clausen, Bjorn TI Large Strain Deformation in Uranium 6 Wt Pct Niobium SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID SHAPE-MEMORY ALLOYS; SITU NEUTRON-DIFFRACTION; RIETVELD REFINEMENT; U-NB; MARTENSITIC-TRANSFORMATION; POWDER DIFFRACTION; ZIRCONIUM ALLOYS; BEHAVIOR; TENSILE; PHASE AB The large strain deformation of polycrystalline uranium 6 wt pct niobium (U6Nb) was studied in situ during uniaxial tensile and compressive loading by time-of-flight neutron diffraction. Diffraction patterns were recorded at incremental strains to a maximum of approximately 0.13 tensile and 0.15 compressive true strain. A discrete reorientation of the crystallographic texture under tensile straining between 0.04 and 0.08 true strain is consistent with a previously unobserved mechanical deformation twinning mechanism, identified as either a (100) or (010) mechanical twin system. Beyond this, a continuous texture reorientation towards an (010) crystal orientations indicates that a slip mechanism is likely predominant. An analogous mechanical twin system was not observed in compression at large strain. C1 [Tupper, Catherine N.; Brown, Don W.; Field, Robert D.; Sisneros, Thomas A.; Clausen, Bjorn] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Tupper, CN (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. EM dbrown@lanl.gov RI Lujan Center, LANL/G-4896-2012; Clausen, Bjorn/B-3618-2015 OI Clausen, Bjorn/0000-0003-3906-846X FU Department of Energy [DE-AC52-06NA25396]; United States Department of Energy's Office of Basic Energy Sciences FX This work has benefited from the use of the Manual Lujan, Jr. Neutron Scattering Center, LANSCE, which is funded by the United States Department of Energy's Office of Basic Energy Sciences. The Los Alamos National Laboratory is operated by Los Alamos National Security LLC under Department of Energy Contract No. DE-AC52-06NA25396. NR 42 TC 15 Z9 15 U1 2 U2 27 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 EI 1543-1940 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD FEB PY 2012 VL 43A IS 2 BP 520 EP 530 DI 10.1007/s11661-011-0931-5 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 879MF UT WOS:000299332700014 ER PT J AU Yu, ZZ Zhang, W Choo, H Feng, ZL AF Yu, Zhenzhen Zhang, Wei Choo, Hahn Feng, Zhili TI Transient Heat and Material Flow Modeling of Friction Stir Processing of Magnesium Alloy using Threaded Tool SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID AL-ZN ALLOY; GRAIN-SIZE; ALUMINUM-ALLOY; ELEVATED-TEMPERATURES; MG ALLOY; DYNAMIC RECRYSTALLIZATION; CREEP-BEHAVIOR; DEFORMATION; SIMULATION; 6061-T6 AB A three-dimensional transient computational fluid dynamics (CFD) model was developed to investigate the material flow and heat transfer during friction stir processing (FSP) in an AZ31B magnesium alloy. The material was assumed to be a non-Newtonian viscoplastic fluid, and the Zener-Hollomon parameter was used to describe the dependence of material viscosity on temperature and strain rate. The material constants used in the constitutive equation were determined experimentally from compression tests of the AZ31B Mg alloy under a wide range of strain rates and temperatures. A dynamic mesh method, combining both Lagrangian and Eulerian formulations, was used to capture the material flow induced by the movement of the threaded tool pin. Massless inert particles were embedded in the simulation domain to track the detailed history of material flow. The actual FSP was also carried out on a wrought Mg plate where temperature profiles were recorded by embedding thermocouples. The predicted transient temperature history was found to be consistent with that measured during FSP. Finally, the influence of the thread on the simulated results of thermal history and material flow was studied by comparing two models: one with threaded pin and the other with smooth pin surface. C1 [Choo, Hahn] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Yu, Zhenzhen; Zhang, Wei; Feng, Zhili] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Choo, H (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM hchoo@utk.edu RI Feng, Zhili/H-9382-2012; Yu, Zhenzhen/A-5650-2013; Choo, Hahn/A-5494-2009 OI Feng, Zhili/0000-0001-6573-7933; Choo, Hahn/0000-0002-8006-8907 FU NSF [DMR.0421219]; Laboratory Directed Research and Development at Oak Ridge National Laboratory (ORNL); Office of Vehicle Technologies, U.S. Department of Energy; U.S. Department of Energy [DE-AC05-00OR22725] FX This research is supported in part by NSF Major Research Instrumentation (MRI) program under contract DMR.0421219, the Laboratory Directed Research and Development at Oak Ridge National Laboratory (ORNL), and the Lightweighting Materials Program, Office of Vehicle Technologies, U.S. Department of Energy. ORNL is managed by UT-Battelle, LLC for the U.S. Department of Energy under Contract DE-AC05-00OR22725. The authors are grateful to Mr. P. Spicka from Ansys Inc. for a useful discussion on modeling. NR 48 TC 14 Z9 15 U1 1 U2 29 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD FEB PY 2012 VL 43A IS 2 BP 724 EP 737 DI 10.1007/s11661-011-0862-1 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 879MF UT WOS:000299332700034 ER PT J AU Price, S Link, B Epstein, RI Li, H AF Price, Steve Link, Bennett Epstein, Richard I. Li, Hui TI Thermoresistive instability in magnetar crusts SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE dense matter; instabilities; magnetic fields; stars: magnetars ID NEUTRON-STARS; GIANT FLARES; FIELDS; STABILITY; REPEATERS; PULSARS; BURST AB We investigate a thermoresistive instability in the outer crusts of magnetars wherein a perturbation in temperature increases ohmic heating. We show that magnetars of characteristic age tage similar to 104 yr are unstable over time-scales as short as days if strong current sheets are present in the outer crust. This instability could play an important role in the thermal and magnetic field evolution of magnetars, and may be related to bursting activity in magnetars. C1 [Price, Steve; Link, Bennett] Montana State Univ, Dept Phys, Bozeman, MT 59717 USA. [Epstein, Richard I.] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. [Li, Hui] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Price, S (reprint author), Montana State Univ, Dept Phys, POB 173840, Bozeman, MT 59717 USA. EM price@physics.montana.edu RI Lujan Center, LANL/G-4896-2012; OI Epstein, Richard/0000-0002-3929-4363 FU NSF [AST-0098728]; LDRD at LANL [20080130DR]; Montana Space Grant Consortium FX Discussions with J. Pons and S. Reddy are gratefully acknowledged. This research was supported in part by NSF Grant AST-0098728. We wish to thank the referee U. Geppert for valuable comments. The work of SP and RIE was funded in part by the LDRD project on 'X-ray bursts, Superbursts and Giant Flares' at LANL under grant number 20080130DR. SP thanks the Montana Space Grant Consortium for fellowship support during the time of this research. NR 23 TC 4 Z9 4 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 FEB PY 2012 VL 420 IS 2 BP 949 EP 956 DI 10.1111/j.1365-2966.2011.19807.x PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 880OU UT WOS:000299417600003 ER PT J AU Smith, N Cenko, SB Butler, N Bloom, JS Kasliwal, MM Horesh, A Kulkarni, SR Law, NM Nugent, PE Ofek, EO Poznanski, D Quimby, RM Sesar, B Ben-Ami, S Arcavi, I Gal-Yam, A Polishook, D Xu, D Yaron, O Frail, DA Sullivan, M AF Smith, Nathan Cenko, S. Bradley Butler, Nat Bloom, Joshua S. Kasliwal, Mansi M. Horesh, Assaf Kulkarni, Shrinivas R. Law, Nicholas M. Nugent, Peter E. Ofek, Eran O. Poznanski, Dovi Quimby, Robert M. Sesar, Branimir Ben-Ami, Sagi Arcavi, Iair Gal-Yam, Avishay Polishook, David Xu, Dong Yaron, Ofer Frail, Dale A. Sullivan, Mark TI SN 2010jp (PTF10aaxi): a jet in a Type II supernova SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE circumstellar matter; supernovae: general; supernovae: individual: SN 2010jp; ISM: jets and outflows ID GAMMA-RAY BURSTS; CORE-COLLAPSE SUPERNOVAE; SPECTRAL NEUTRINO TRANSPORT; LOW-RESOLUTION; OPTICAL OBSERVATIONS; LUMINOUS SUPERNOVA; RED SUPERGIANTS; DUST FORMATION; REVERSE SHOCK; LIGHT CURVES AB We present photometry and spectroscopy of the peculiar Type II supernova (SN) SN 2010jp, also named PTF10aaxi. The light curve exhibits a linear decline with a relatively low peak absolute magnitude of only -15.9 (unfiltered), and a low radioactive decay luminosity at late times, which suggests a low synthesized nickel mass of M (56 Ni) ? 0.003 M?. Spectra of SN 2010jp display an unprecedented triple-peaked Ha line profile, showing (1) a narrow (full width at half-maximum >rsim800 km s-1) central component that suggests shock interaction with dense circumstellar material (CSM); (2) high-velocity blue and red emission features centred at -12 600 and +15 400 km s-1, respectively; and (3) very broad wings extending from -22 000 to +25 000 km s-1. These features persist over multiple epochs during the similar to 100 d after explosion. We propose that this line profile indicates a bipolar jet-driven explosion, with the central component produced by normal SN ejecta and CSM interaction at mid and low latitudes, while the high-velocity bumps and broad-line wings arise in a non-relativistic bipolar jet. Two variations of the jet interpretation seem plausible: (1) a fast jet mixes 56Ni to high velocities in polar zones of the H-rich envelope; or (2) the reverse shock in the jet produces blue and red bumps in Balmer lines when a jet interacts with dense CSM. Jet-driven Type II SNe are predicted for collapsars resulting from a wide range of initial masses above 25 M?, especially at subsolar metallicity. This seems consistent with the SN host environment, which is either an extremely low-luminosity dwarf galaxy or the very remote parts of an interacting pair of star-forming galaxies. It also seems consistent with the apparently low 56Ni mass that may accompany black hole formation. We speculate that the jet survives to produce observable signatures because the stars H envelope was very low mass, having been mostly stripped away by the previous eruptive mass-loss indicated by the Type IIn features in the spectrum. C1 [Smith, Nathan] Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. [Cenko, S. Bradley; Butler, Nat; Bloom, Joshua S.; Nugent, Peter E.; Poznanski, Dovi] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Kasliwal, Mansi M.; Horesh, Assaf; Kulkarni, Shrinivas R.; Ofek, Eran O.; Quimby, Robert M.; Sesar, Branimir] CALTECH, Cahill Ctr Astrophys, Pasadena, CA 91125 USA. [Law, Nicholas M.] Univ Toronto, Dunlap Inst Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Nugent, Peter E.; Poznanski, Dovi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Ben-Ami, Sagi; Arcavi, Iair; Gal-Yam, Avishay; Polishook, David; Xu, Dong; Yaron, Ofer] Weizmann Inst Sci, IL-76100 Rehovot, Israel. [Frail, Dale A.] Natl Radio Astron Observ, Socorro, NM 87801 USA. [Sullivan, Mark] Univ Oxford, Dept Phys Astrophys, Oxford OX1 3RH, England. RP Smith, N (reprint author), Univ Arizona, Steward Observ, 933 N Cherry Ave, Tucson, AZ 85721 USA. EM nathans@as.arizona.edu RI Horesh, Assaf/O-9873-2016; OI Horesh, Assaf/0000-0002-5936-1156; Sullivan, Mark/0000-0001-9053-4820 FU Richard and Rhoda Goldman Fund; NASA/Swift [NNX10AI21G, GO-7100028]; TABASGO Foundation; NSF [AST-0908886]; NASA; Office of Science of the US Department of Energy [DE-AC02-05CH11231]; Israeli Science Foundation; Binational Science Foundation; FP7 Marie Curie IRG Fellowship; Benoziyo Center for Astrophysics; Lord Sieff of Brimpton Memorial Fund; National Science Foundation (NSF-CDI) [0941742]; W. M. Keck Foundation FX We thank P. Challis and R. Kirshner for assistance with the MMT observations in 2010 November, and for providing the reduced spectrum from that night. SBC acknowledges generous financial assistance from Gary and Cynthia Bengier, the Richard and Rhoda Goldman Fund, NASA/Swift grants NNX10AI21G and GO-7100028, the TABASGO Foundation, and NSF grant AST-0908886. DP and EOO are supported by Einstein fellowships from NASA. 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, provided staff, computational resources and data storage for this project. The Weizmann-PTF partnership is supported in part by grants from the Israeli Science Foundation to AG. Collaborative Caltech-WIS work is supported by a grant from the Binational Science Foundation to AG and SRK. The work of AG is further supported by an FP7 Marie Curie IRG Fellowship and the Benoziyo Center for Astrophysics, and by the Lord Sieff of Brimpton Memorial Fund. JSB was partially supported by a grant from the National Science Foundation (NSF-CDI # 0941742). Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and NASA. The observatory was made possible by the generous financial support of the W. M. Keck Foundation. The authors wish to recognize and acknowledge the very significant cultural role and reverence that the summit of Mauna Kea has always had within the indigenous Hawaiian community. We are most fortunate to have the opportunity to conduct observations from this mountain. The National Radio Astronomy Observatory is a facility of the National Science Foundation operated under cooperative agreement by Associated Universities, Inc. NR 100 TC 31 Z9 31 U1 0 U2 1 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 FEB PY 2012 VL 420 IS 2 BP 1135 EP 1144 DI 10.1111/j.1365-2966.2011.20104.x PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 880OU UT WOS:000299417600015 ER PT J AU Mandelbaum, R Hirata, CM Leauthaud, A Massey, RJ Rhodes, J AF Mandelbaum, Rachel Hirata, Christopher M. Leauthaud, Alexie Massey, Richard J. Rhodes, Jason TI Precision simulation of ground-based lensing data using observations from space SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitational lensing: weak; methods: data analysis; techniques: image processing; galaxies: structure ID DIGITAL SKY SURVEY; SPECTROSCOPIC TARGET SELECTION; IMAGE-ANALYSIS COMPETITION; TELESCOPE ADVANCED CAMERA; GALAXY CLUSTERS; DATA RELEASE; GREAT08 CHALLENGE; ELLIPTIC GALAXIES; SHAPE MEASUREMENT; COSMIC SHEAR AB Current and upcoming wide-field, ground-based, broad-band imaging surveys promise to address a wide range of outstanding problems in galaxy formation and cosmology. Several such uses of ground-based data, especially weak gravitational lensing, require highly precise measurements of galaxy image statistics with careful correction for the effects of the point spread function (PSF). In this paper, we introduce the shera (SHEar Reconvolution Analysis) software to simulate ground-based imaging data with realistic galaxy morphologies and observing conditions, starting from space-based data (from the Cosmological Evolution Survey, COSMOS) and accounting for the effects of the space-based PSF. This code simulates ground-based data, optionally with a weak lensing shear applied, in a model-independent way using a general Fourier space formalism. The utility of this pipeline is that it allows for a precise, realistic assessment of systematic errors due to the method of data processing, for example in extracting weak lensing galaxy shape measurements or galaxy radial profiles, given user-supplied observational conditions and real galaxy morphologies. Moreover, the simulations allow for the empirical test of error estimates and determination of parameter degeneracies, via generation of many noise maps. The public release of this software, along with a large sample of cleaned COSMOS galaxy images (corrected for charge transfer inefficiency), should enable upcoming ground-based imaging surveys to achieve their potential in the areas of precision weak lensing analysis, galaxy profile measurement and other applications involving detailed image analysis. C1 [Mandelbaum, Rachel] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Hirata, Christopher M.] CALTECH, Dept Astron, Pasadena, CA 91125 USA. [Leauthaud, Alexie] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Massey, Richard J.] Royal Observ, Inst Astron, Edinburgh EH9 3HJ, Midlothian, Scotland. [Rhodes, Jason] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. RP Mandelbaum, R (reprint author), Princeton Univ, Dept Astrophys Sci, Peyton Hall, Princeton, NJ 08544 USA. EM rmandelb@astro.princeton.edu RI Mandelbaum, Rachel/N-8955-2014; OI Mandelbaum, Rachel/0000-0003-2271-1527; Massey, Richard/0000-0002-6085-3780 FU US National Science Foundation [AST-0807337]; US Department of Energy [DE-FG03-02-ER40701]; Alfred P. Sloan Foundation; David and Lucile Packard Foundation; LBNL; Berkeley Center for Cosmological Physics; STFC [PP/E006450/1]; ERC [MIRG-CT-208994]; NASA FX We thank the referee for many constructive comments about the organization and content of this paper. The authors would also like to thank Jim Gunn, Robert Lupton, Dustin Lang, David Hogg, Michael Blanton, Barney Rowe, Peter Capak, Chiaki Hikage, Uros Seljak and Gary Bernstein for useful conversations about this project, and Eric Huff both for discussing it and giving the software a name. CMH is supported by the US National Science Foundation (AST-0807337), the US Department of Energy (DE-FG03-02-ER40701), the Alfred P. Sloan Foundation, and the David and Lucile Packard Foundation. AL acknowledges support from the Chamberlain Fellowship at LBNL and from the Berkeley Center for Cosmological Physics. RJM is supported by STFC Advanced Fellowship #PP/E006450/1 and ERC grant MIRG-CT-208994. This work was done in part at JPL, run under a contract for NASA by Caltech. NR 83 TC 38 Z9 38 U1 0 U2 1 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 FEB PY 2012 VL 420 IS 2 BP 1518 EP 1540 DI 10.1111/j.1365-2966.2011.20138.x PG 23 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 880OU UT WOS:000299417600046 ER PT J AU Sansone, SA Rocca-Serra, P Field, D Maguire, E Taylor, C Hofmann, O Fang, H Neumann, S Tong, WD Amaral-Zettler, L Begley, K Booth, T Bougueleret, L Burns, G Chapman, B Clark, T Coleman, LA Copeland, J Das, S de Daruvar, A de Matos, P Dix, I Edmunds, S Evelo, CT Forster, MJ Gaudet, P Gilbert, J Goble, C Griffin, JL Jacob, D Kleinjans, J Harland, L Haug, K Hermjakob, H Sui, SJH Laederach, A Liang, SG Marshall, S McGrath, A Merrill, E Reilly, D Roux, M Shamu, CE Shang, CA Steinbeck, C Trefethen, A Williams-Jones, B Wolstencroft, K Xenarios, I Hide, W AF Sansone, Susanna-Assunta Rocca-Serra, Philippe Field, Dawn Maguire, Eamonn Taylor, Chris Hofmann, Oliver Fang, Hong Neumann, Steffen Tong, Weida Amaral-Zettler, Linda Begley, Kimberly Booth, Tim Bougueleret, Lydie Burns, Gully Chapman, Brad Clark, Tim Coleman, Lee-Ann Copeland, Jay Das, Sudeshna de Daruvar, Antoine de Matos, Paula Dix, Ian Edmunds, Scott Evelo, Chris T. Forster, Mark J. Gaudet, Pascale Gilbert, Jack Goble, Carole Griffin, Julian L. Jacob, Daniel Kleinjans, Jos Harland, Lee Haug, Kenneth Hermjakob, Henning Sui, Shannan J. Ho Laederach, Alain Liang, Shaoguang Marshall, Stephen McGrath, Annette Merrill, Emily Reilly, Dorothy Roux, Magali Shamu, Caroline E. Shang, Catherine A. Steinbeck, Christoph Trefethen, Anne Williams-Jones, Bryn Wolstencroft, Katherine Xenarios, Ioannis Hide, Winston TI Toward interoperable bioscience data SO NATURE GENETICS LA English DT Editorial Material AB To make full use of research data, the bioscience community needs to adopt technologies and reward mechanisms that support interoperability and promote the growth of an open 'data commoning' culture. Here we describe the prerequisites for data commoning and present an established and growing ecosystem of solutions using the shared 'Investigation-Study-Assay' framework to support that vision. C1 [Sansone, Susanna-Assunta; Rocca-Serra, Philippe; Maguire, Eamonn; Trefethen, Anne] Univ Oxford, Oxford E Res Ctr, Oxford, England. [Field, Dawn; Taylor, Chris; Booth, Tim] Wallingford Ctr Ecol & Hydrol CEH, Environm Bioinformat Ctr, Nat Environm Res Council, Oxford, England. [Taylor, Chris; de Matos, Paula; Haug, Kenneth; Hermjakob, Henning; Steinbeck, Christoph] European Bioinformat Inst, European Mol Biol Lab EMBL Outstn, Cambridge, England. [Hofmann, Oliver; Begley, Kimberly; Chapman, Brad; Sui, Shannan J. Ho; Hide, Winston] Harvard Univ, Sch Publ Hlth, Dept Biostat, Boston, MA 02115 USA. [Fang, Hong] US FDA, ICF Int, Natl Ctr Toxicol Res, Jefferson, AR USA. [Neumann, Steffen] Leibniz Inst Plant Biochem, Dept Stress & Dev Biol, Halle, Germany. [Tong, Weida] US FDA, Ctr Bioinformat, Natl Ctr Toxicol Res, Jefferson, AR USA. [Amaral-Zettler, Linda] Marine Biol Lab, Josephine Bay Paul Ctr Comparat Mol Biol & Evolut, Woods Hole, MA 02543 USA. [Begley, Kimberly] Ontario Inst Canc Res Informat & Biocomp, Toronto, ON, Canada. [Bougueleret, Lydie; Xenarios, Ioannis] Swiss Prot Grp, Swiss Inst Bioinformat, Geneva, Switzerland. [Burns, Gully] Univ So Calif, Inst Informat Sci, Marina Del Rey, CA 90292 USA. [Clark, Tim; Das, Sudeshna] Harvard Univ, Sch Med, Dept Neurol, Boston, MA 02115 USA. [Clark, Tim; Das, Sudeshna; Merrill, Emily] Massachusetts Gen Hosp, Dept Neurol, Boston, MA 02114 USA. [Coleman, Lee-Ann] British Lib, London, England. [Copeland, Jay; Shamu, Caroline E.] Harvard Univ, Sch Med, Dept Syst Biol, Boston, MA USA. [de Daruvar, Antoine] Univ Bordeaux, Lab Bordelais Rech lnformat LaBRI, CNRS, UMR 5800, Talence, France. [de Daruvar, Antoine; Jacob, Daniel] Univ Bordeaux, Ctr Bioinformat Bordeaux CBiB, Bordeaux, France. [Dix, Ian] AstraZeneca Plc, Knowledge Engn & Informat Sci, Discovery Informat, Macclesfield, Cheshire, England. [Edmunds, Scott; Liang, Shaoguang] BGI Shenzhen, Yantian, Peoples R China. [Evelo, Chris T.] Maastricht Univ, Dept Bioinformat BiGCaT, Maastricht, Netherlands. [Evelo, Chris T.] Netherlands Bioinformat Ctr, NBIC Fac, Nijmegen, Netherlands. [Forster, Mark J.] Syngenta RDIS, Bracknell, Berks, England. [Gaudet, Pascale] Northwestern Univ, Ctr Genet Med, Chicago, IL 60611 USA. [Gaudet, Pascale] Swiss Inst Bioinformat Computat Anal & Lab Invest, Geneva, Switzerland. [Gilbert, Jack] Argonne Natl Lab, Argonne, IL 60439 USA. [Goble, Carole; Wolstencroft, Katherine] Univ Manchester, Sch Comp Sci, Manchester, Lancs, England. [Griffin, Julian L.] Univ Cambridge, Dept Biochem, Cambridge CB2 1QW, England. [Griffin, Julian L.] Univ Cambridge, Cambridge Syst Biol Ctr, Cambridge, England. [Griffin, Julian L.] Med Res Council MRC Human Nutr Res, Elsie Widdowson Lab, Cambridge, England. [Jacob, Daniel] INRA, Fruit Biol & Pathol Ctr, UMR 1332, Villenave Dornon, France. [Kleinjans, Jos] PA Maastricht Univ, Dept Toxicogenom, Netherlands Toxicogenom Ctr, Maastricht, Netherlands. [Harland, Lee; Williams-Jones, Bryn] ConnectedDiscovery, London, England. [Laederach, Alain] Univ N Carolina, Dept Biol, Chapel Hill, NC USA. [Marshall, Stephen; Reilly, Dorothy] Novartis Inst BioMed Res, Quantitat Biol Unit, Cambridge, MA USA. [McGrath, Annette] CSIRO Math Informat & Stat, Canberra, ACT, Australia. [Roux, Magali] CNRS UPS76, Inst Sci & Technol Informat, Vandoeuvre Les Nancy, France. [Roux, Magali] Univ Paris 06, CNRS UMR 7606, Paris, France. [Shang, Catherine A.] Macquarie Univ, Sydney, NSW 2109, Australia. [Xenarios, Ioannis] Vital IT, Swiss Inst Bioinformat, Lausanne, Switzerland. RP Sansone, SA (reprint author), Univ Oxford, Oxford E Res Ctr, Oxford, England. EM susanna-assunta.sansone@oerc.ox.ac.uk RI Steinbeck, Christoph/B-4131-2008; Neumann, Steffen/K-5554-2012; Kleinjans, Jos/E-7241-2015; Trivedi, Kruti/E-7558-2015; Evelo, Chris/D-2914-2009; Haug, Ove Kenneth/D-8694-2017; OI Edmunds, Scott/0000-0001-6444-1436; Laederach, Alain/0000-0002-5088-9907; Hofmann, Oliver/0000-0002-7738-1513; Xenarios, Ioannis/0000-0002-3413-6841; Sansone, Susanna-Assunta/0000-0001-5306-5690; Chapman, Brad/0000-0002-3026-1856; Hide, Winston/0000-0002-8621-3271; Goble, Carole/0000-0003-1219-2137; Burns, Gully/0000-0003-1493-865X; Neumann, Steffen/0000-0002-7899-7192; Evelo, Chris/0000-0002-5301-3142; Haug, Ove Kenneth/0000-0003-3168-4145; Coleman, Lee-Ann/0000-0001-5313-8394 FU Biotechnology and Biological Sciences Research Council [BB/D006422/1, BB/E025080/1, BB/G010218/1, BB/H024921/1, BB/I000771/1, BB/I000860/1, BB/I000917/1, BB/I000933/1, BB/I004637/1, BB/I025840/1, BBG0102181]; Medical Research Council [MC_UP_A090_1006, UD99999906]; NCI NIH HHS [1RC2CA148222-01, RC2 CA148222]; NCRR NIH HHS [S10 RR031865, U24 RR025736, U24-RR025736]; NHGRI NIH HHS [U54 HG006097]; NHLBI NIH HHS [R01 HL111527]; NIGMS NIH HHS [R00 GM079953, R01 GM083871, R01 GM101237, R01-GM083871, U24 GM104203]; NIMH NIH HHS [R21 MH087336] NR 29 TC 109 Z9 110 U1 2 U2 32 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1061-4036 EI 1546-1718 J9 NAT GENET JI Nature Genet. PD FEB PY 2012 VL 44 IS 2 BP 121 EP 126 PG 6 WC Genetics & Heredity SC Genetics & Heredity GA 883WA UT WOS:000299664400006 PM 22281772 ER PT J AU Henzie, J Grunwald, M Widmer-Cooper, A Geissler, PL Yang, PD AF Henzie, Joel Gruenwald, Michael Widmer-Cooper, Asaph Geissler, Phillip L. Yang, Peidong TI Self-assembly of uniform polyhedral silver nanocrystals into densest packings and exotic superlattices SO NATURE MATERIALS LA English DT Article ID DEPLETION ATTRACTION; BUILDING-BLOCKS; NANOPARTICLES; METAMATERIALS; CRYSTALLINE; TETRAHEDRA; COLLOIDS; POLYMER; FORCES; PHASES AB Understanding how polyhedra pack into extended arrangements is integral to the design and discovery of crystalline materials at all length scales(1-3). Much progress has been made in enumerating and characterizing the packing of polyhedral shapes(4-6), and the self-assembly of polyhedral nanocrystals into ordered superstructures(7-9). However, directing the self-assembly of polyhedral nanocrystals into densest packings requires precise control of particle shape(10), polydispersity(11), interactions and driving forces(12). Here we show with experiment and computer simulation that a range of nanoscale Ag polyhedra can self-assemble into their conjectured densest packings(6). When passivated with adsorbing polymer, the polyhedra behave as quasi-hard particles and assemble into millimetre-sized three-dimensional supercrystals by sedimentation. We also show, by inducing depletion attraction through excess polymer in solution, that octahedra form an exotic superstructure with complex helical motifs rather than the densest Minkowski lattice(13). Such large-scale Ag supercrystals may facilitate the design of scalable three-dimensional plasmonic metamaterials for sensing(14,15), nanophotonics(16) and photocatalysis(17). C1 [Henzie, Joel; Gruenwald, Michael; Widmer-Cooper, Asaph; Geissler, Phillip L.; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Widmer-Cooper, Asaph; Geissler, Phillip L.; Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Widmer-Cooper, Asaph] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia. [Yang, Peidong] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Grunwald, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM michael.gruenwald@berkeley.edu; p_yang@berkeley.edu RI Widmer-Cooper, Asaph/E-6923-2010; Grunwald, Michael/L-5919-2013; Foundry, Molecular/G-9968-2014; Henzie, Joel/B-9564-2013; Henzie, Joel/E-2332-2015 OI Widmer-Cooper, Asaph/0000-0001-5459-6960; Henzie, Joel/0000-0002-9190-2645; Henzie, Joel/0000-0002-9190-2645 FU Defense Advanced Research Projects Agency; Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy [DE-AC02-05CH11231]; Austrian Science Fund (FWF) [J 3106-N16]; National Science Foundation [CHE-0910981]; US Department of Energy [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231] FX This work was partially supported by the Defense Advanced Research Projects Agency. The shape-selective synthesis part of the work is supported by the Director, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy under contract no DE-AC02-05CH11231. M.G. was supported by the Austrian Science Fund (FWF) under grant no J 3106-N16. M.G. and P.L.G. were supported by the National Science Foundation under grant no CHE-0910981. A.W-C. was supported by the US Department of Energy under contract no DE-AC02-05CH11231. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under contract no DE-AC02-05CH11231. P.Y. thanks the National Science Foundation for the Waterman Award. NR 33 TC 233 Z9 233 U1 32 U2 385 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 J9 NAT MATER JI Nat. Mater. PD FEB PY 2012 VL 11 IS 2 BP 131 EP 137 DI 10.1038/NMAT3178 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 880SY UT WOS:000299428700012 PM 22101811 ER PT J AU Tyryshkin, AM Tojo, S Morton, JJL Riemann, H Abrosimov, NV Becker, P Pohl, HJ Schenkel, T Thewalt, MLW Itoh, KM Lyon, SA AF Tyryshkin, Alexei M. Tojo, Shinichi Morton, John J. L. Riemann, Helge Abrosimov, Nikolai V. Becker, Peter Pohl, Hans-Joachim Schenkel, Thomas Thewalt, Michael L. W. Itoh, Kohei M. Lyon, S. A. TI Electron spin coherence exceeding seconds in high-purity silicon SO NATURE MATERIALS LA English DT Article ID SPECTRAL DIFFUSION DECAY; RESONANCE EXPERIMENTS; LATTICE RELAXATION; SOLIDS; ECHOES; DONORS AB Silicon is one of the most promising semiconductor materials for spin-based information processing devices(1,2). Its advanced fabrication technology facilitates the transition from individual devices to large-scale processors, and the availability of a Si-28 form with no magnetic nuclei overcomes a primary source of spin decoherence in many other materials(3,4). Nevertheless, the coherence lifetimes of electron spins in the solid state have typically remained several orders of magnitude lower than that achieved in isolated high-vacuum systems such as trapped ions(5). Here we examine electron spin coherence of donors in pure Si-28 material (residual Si-29 concentration <50 ppm) with donor densities of 10(14)-10(15) cm(-3). We elucidate three mechanisms for spin decoherence, active at different temperatures, and extract a coherence lifetime T-2 up to 2 s. In this regime, we find the electron spin is sensitive to interactions with other donor electron spins separated by similar to 200 nm. A magnetic field gradient suppresses such interactions, producing an extrapolated electron spin T-2 of 10 s at 1.8 K. These coherence lifetimes are without peer in the solid state and comparable to high-vacuum qubits, making electron spins of donors in silicon ideal components of quantum computers(2,6), or quantum memories for systems such as superconducting qubits(7-9). C1 [Tyryshkin, Alexei M.; Lyon, S. A.] Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA. [Tojo, Shinichi; Itoh, Kohei M.] Keio Univ, Sch Fundamental Sci & Technol, Yokohama, Kanagawa 2238522, Japan. [Morton, John J. L.] Univ Oxford, Dept Mat, Oxford OX1 3PH, England. [Riemann, Helge; Abrosimov, Nikolai V.] Inst Kristallzuchtung, D-12489 Berlin, Germany. [Becker, Peter] Phys Tech Bundesanstalt, D-38116 Braunschweig, Germany. [Pohl, Hans-Joachim] VITCON Projectconsult GMBH, D-07745 Jena, Germany. [Schenkel, Thomas] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Thewalt, Michael L. W.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. RP Lyon, SA (reprint author), Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA. EM lyon@princeton.edu RI Morton, John/I-3515-2013; Itoh, Kohei/C-5738-2014 FU National Science Foundation (NSF) through the Princeton Materials Research Science and Engineering Center [DMR-0819860]; National Security Agency (NSA)/Laboratory for Physical Sciences through Lawrence Berkley National Laboratory (LBNL) [100000080295]; Project for Developing Innovation Systems; Ministry of Education, Culture, Sports, Science and Technology; Japan Society for the Promotion of Science; Japan Science and Technology Agency/UK Engineering and Physical Sciences Research Council (EPSRC) [EP/H025952/1]; EPSRC through the Centre for Advanced Electron Spin Resonance [EP/D048559/1]; US Department of Energy [DE-AC02-05CH11231]; NSA [100000080295]; Natural Sciences and Engineering Research Council of Canada; Royal Society FX We thank W. M. Witzel and A. Morello for helpful discussions. Work at Princeton was supported by the National Science Foundation (NSF) through the Princeton Materials Research Science and Engineering Center (DMR-0819860) and the National Security Agency (NSA)/Laboratory for Physical Sciences through Lawrence Berkley National Laboratory (LBNL) (100000080295), at Keio by the Grant-in-Aid for Scientific Research and Project for Developing Innovation Systems by the Ministry of Education, Culture, Sports, Science and Technology, the FIRST Program by the Japan Society for the Promotion of Science, and the Japan Science and Technology Agency/UK Engineering and Physical Sciences Research Council (EPSRC) (EP/H025952/1), at Oxford by the EPSRC through the Centre for Advanced Electron Spin Resonance (EP/D048559/1), at LBNL by the US Department of Energy (DE-AC02-05CH11231) and the NSA (100000080295), and at Simon Fraser University by the Natural Sciences and Engineering Research Council of Canada. J.J.L.M. is supported by the Royal Society. NR 30 TC 221 Z9 221 U1 11 U2 92 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD FEB PY 2012 VL 11 IS 2 BP 143 EP 147 DI 10.1038/NMAT3182 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 880SY UT WOS:000299428700014 PM 22138791 ER PT J AU Normandin, MD Schiffer, WK Morris, ED AF Normandin, Marc D. Schiffer, Wynne K. Morris, Evan D. TI A linear model for estimation of neurotransmitter response profiles from dynamic PET data SO NEUROIMAGE LA English DT Article DE Basis functions; Compartmental modeling; Dopamine; Neurotransmitter; PET; Reference region; Tracer kinetics ID STRIATAL DOPAMINE RELEASE; POSITRON-EMISSION-TOMOGRAPHY; REFERENCE TISSUE MODEL; HUMAN BRAIN; CONTINUOUS-INFUSION; RECEPTOR-BINDING; AMPHETAMINE; METHYLPHENIDATE; COCAINE; LIGAND AB The parametric ntPET model (p-ntPET) estimates the kinetics of neurotransmitter release from dynamic PET data with receptor-ligand radiotracers. Here we introduce a linearization (lp-ntPET) that is computationally efficient and can be applied to single scan data. lp-ntPET employs a non-invasive reference region input function and extends the LSRRM of Alpert et al. (2003) using basis functions to characterize the time course of neurotransmitter activation. In simulation studies, the temporal precision of neurotransmitter profiles estimated by lp-ntPET was similar to that of p-ntPET (standard deviation similar to 3 min for responses early in the scan) while computation time was reduced by several orders of magnitude. Violations of model assumptions such as activation-induced changes in regional blood flow or specific binding in the reference tissue have negligible effects on lp-ntPET performance. Application of the lp-ntPET method is demonstrated on [C-11] raclopride data acquired in rats receiving methamphetamine, which yielded estimated response functions that were in good agreement with simultaneous microdialysis measurements of extracellular dopamine concentration. These results demonstrate that lp-ntPET is a computationally efficient, linear variant of ntPET that can be applied to PET data from single or multiple scan designs to estimate the time course of neurotransmitter activation. (C) 2011 Elsevier Inc. All rights reserved. C1 [Normandin, Marc D.; Morris, Evan D.] Purdue Univ, Weldon Sch Biomed Engn, W Lafayette, IN 47907 USA. [Normandin, Marc D.; Morris, Evan D.] Indiana Univ Sch Med, Dept Radiol, Indianapolis, IN USA. [Schiffer, Wynne K.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. [Morris, Evan D.] Indiana Univ Purdue Univ, Dept Biomed Engn, Indianapolis, IN 46202 USA. RP Morris, ED (reprint author), Yale PET Ctr, POB 208048, New Haven, CT 06520 USA. EM evan.morris@yale.edu RI Normandin, Marc/C-6728-2015 OI Normandin, Marc/0000-0003-1645-523X FU L.A. Geddes Fellowship; Society of Nuclear Medicine; NIH [R21 AA015077]; Whitaker Foundation [RG 02-0126, TF 04-0034] FX M.D. Normandin acknowledges the support of the L.A. Geddes Fellowship and the Society of Nuclear Medicine Student Fellowship. E.D. Morris acknowledges the support of NIH grant R21 AA015077 and the Whitaker Foundation grants RG 02-0126 and TF 04-0034. NR 73 TC 16 Z9 16 U1 1 U2 7 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1053-8119 J9 NEUROIMAGE JI Neuroimage PD FEB 1 PY 2012 VL 59 IS 3 BP 2689 EP 2699 DI 10.1016/j.neuroimage.2011.07.002 PG 11 WC Neurosciences; Neuroimaging; Radiology, Nuclear Medicine & Medical Imaging SC Neurosciences & Neurology; Radiology, Nuclear Medicine & Medical Imaging GA 881NS UT WOS:000299494000068 PM 21767654 ER PT J AU Jones, AME Aebersold, R Ahrens, CH Apweiler, R Baerenfaller, K Baker, M Bendixen, E Briggs, S Brownridge, P Brunner, E Daube, M Deutsch, EW Grossniklaus, U Heazlewood, J Hengartner, MO Hermjakob, H Jovanovic, M Lawless, C Lochnit, G Martens, L Ravnsborg, C Schrimpf, SP Shim, YH Subasic, D Tholey, A van Wijk, K von Mering, C Weiss, M Zheng, X AF Jones, Alexandra M. E. Aebersold, Ruedi Ahrens, Christian H. Apweiler, Rolf Baerenfaller, Katja Baker, Mark Bendixen, Emoke Briggs, Steve Brownridge, Philip Brunner, Erich Daube, Michael Deutsch, Eric W. Grossniklaus, Ueli Heazlewood, Joshua Hengartner, Michael O. Hermjakob, Henning Jovanovic, Marko Lawless, Craig Lochnit, Guenter Martens, Lennart Ravnsborg, Christian Schrimpf, Sabine P. Shim, Yhong-Hee Subasic, Deni Tholey, Andreas van Wijk, Klaas von Mering, Christian Weiss, Manuel Zheng, Xue TI The HUPO initiative on Model Organism Proteomes, iMOP SO PROTEOMICS LA English DT Article DE Data standardization; Human Proteome Organisation; Model organisms; Proteomics initiative ID QUANTITATIVE PROTEOMICS; MASS-SPECTROMETRY; HUMAN PATHOGEN; DATABASE; QUANTIFICATION; PERSPECTIVE; RESOURCE; PROJECT; BIOLOGY AB The community working on model organisms is growing steadily and the number of model organisms for which proteome data are being generated is continuously increasing. To standardize efforts and to make optimal use of proteomics data acquired from model organisms, a new Human Proteome Organisation (HUPO) initiative on model organism proteomes (iMOP) was approved at the HUPO Ninth Annual World Congress in Sydney, 2010. iMOP will seek to stimulate scientific exchange and disseminate HUPO best practices. The needs of model organism researchers for central databases will be better represented, catalyzing the integration of proteomics and organism-specific databases. Full details of iMOP activities, members, tools and resources can be found at our website and new members are invited to join us. C1 [Jones, Alexandra M. E.] Sainsbury Lab, Norwich, Norfolk, England. [Aebersold, Ruedi] Swiss Fed Inst Technol, Inst Mol Syst Biol, Zurich, Switzerland. [Aebersold, Ruedi] Univ Zurich, Fac Sci, Zurich, Switzerland. [Ahrens, Christian H.; Brunner, Erich; Daube, Michael; Hengartner, Michael O.; Jovanovic, Marko; Schrimpf, Sabine P.; Subasic, Deni; von Mering, Christian; Weiss, Manuel; Zheng, Xue] Univ Zurich, Inst Mol Life Sci, Zurich, Switzerland. [Apweiler, Rolf; Hermjakob, Henning] European Bioinformat Inst, Cambridge, England. [Baerenfaller, Katja] Swiss Fed Inst Technol, Dept Biol, Zurich, Switzerland. [Baker, Mark] Macquarie Univ, N Ryde, NSW 2109, Australia. [Bendixen, Emoke] Dept Anim Sci Integrat Physiol, Tjele, Denmark. [Briggs, Steve] UCSD, La Jolla, CA USA. [Brownridge, Philip; Lawless, Craig] Univ Manchester, Fac Life Sci, Manchester M13 9PL, Lancs, England. [Deutsch, Eric W.] Inst Syst Biol, Seattle, WA USA. [Grossniklaus, Ueli] Univ Zurich, Inst Plant Biol, CH-8008 Zurich, Switzerland. [Heazlewood, Joshua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. [Heazlewood, Joshua] Phys Biosci Div, Berkeley, CA 94720 USA. [Lochnit, Guenter] Univ Giessen, Fac Med, Inst Biochem, Giessen, Germany. [Martens, Lennart] VIB, Dept Med Prot Res, Ghent, Belgium. [Martens, Lennart] Univ Ghent, Dept Biochem, B-9000 Ghent, Belgium. [Ravnsborg, Christian] Thermo Fisher Sci, Copenhagen, Denmark. [Shim, Yhong-Hee] Konkuk Univ, Dept Biosci & Biotechnol, Seoul, South Korea. [Tholey, Andreas] Univ Kiel, Kiel, Germany. [van Wijk, Klaas] Cornell Univ, Dept Plant Biol, Ithaca, NY USA. [von Mering, Christian] Univ Zurich, Swiss Inst Bioinformat, Zurich, Switzerland. RP Jones, AME (reprint author), Sainsbury Lab, Norwich Res Pk, Norwich, Norfolk, England. RI Jones, Alexandra/B-5227-2009; Ahrens, Christian/F-4656-2011; Tholey, Andreas /B-3407-2010; Heazlewood, Joshua/A-2554-2008; Hengartner, Michael/E-6235-2011; von Mering, Christian/B-3300-2008; Martens, Lennart/E-8816-2010; Grossniklaus, Ueli/E-9995-2016; Baerenfaller, Katja/D-8799-2017; OI Hermjakob, Henning/0000-0001-8479-0262; Baker, Mark/0000-0001-5858-4035; Shim, Yhong-Hee/0000-0002-8660-4176; Hengartner, Michael/0000-0002-7584-596X; Jones, Alexandra/0000-0003-2571-8708; Ahrens, Christian/0000-0002-8148-7257; Heazlewood, Joshua/0000-0002-2080-3826; von Mering, Christian/0000-0001-7734-9102; Martens, Lennart/0000-0003-4277-658X; Grossniklaus, Ueli/0000-0002-0522-8974; Baerenfaller, Katja/0000-0002-1904-9440; Apweiler, Rolf/0000-0001-7078-200X NR 28 TC 5 Z9 5 U1 0 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1615-9853 J9 PROTEOMICS JI Proteomics PD FEB PY 2012 VL 12 IS 3 BP 340 EP 345 DI 10.1002/pmic.201290014 PG 6 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 883HB UT WOS:000299623700002 PM 22290800 ER PT J AU Schrimpf, SP von Mering, C Bendixen, E Heazlewood, JL Bumann, D Omenn, G Hengartner, MO AF Schrimpf, Sabine P. von Mering, Christian Bendixen, Emoke Heazlewood, Joshua L. Bumann, Dirk Omenn, Gil Hengartner, Michael O. TI The initiative on Model Organism Proteomes (iMOP) Session September 6, 2011, Geneva, Switzerland SO PROTEOMICS LA English DT Article DE Arabidopsis thaliana organelles; Farm animals; Host-pathogen interactions; Quantitative proteomics ID ARABIDOPSIS AB iMOP the Initiative on Model Organism Proteomes was accepted as a new HUPO initiative at the Ninth HUPO meeting in Sydney in 2010. A goal of iMOP is to integrate research groups working on a great diversity of species into a model organism community. At the Tenth HUPO meeting in Geneva this variety was reflected in the iMOP session on Tuesday September 6, 2011. The presentations covered the quantitative proteome database PaxDb, proteomics projects studying farm animals, Arabidopsis thaliana, as well as hostpathogen interactions. C1 [Schrimpf, Sabine P.; von Mering, Christian; Hengartner, Michael O.] Univ Zurich, Inst Mol Life Sci, Zurich, Switzerland. [von Mering, Christian] Univ Zurich, Swiss Inst Bioinformat, Zurich, Switzerland. [Bendixen, Emoke] Aarhus Univ, Fac Agr Sci, Dept Anim Hlth & Biosci, Tjele, Denmark. [Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. [Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Bumann, Dirk] Univ Basel, Biozentrum, Basel, Switzerland. [Omenn, Gil] Univ Michigan, Ctr Computat Med & Bioinformat, Ann Arbor, MI 48109 USA. RP Schrimpf, SP (reprint author), Univ Zurich, Inst Mol Life Sci, Zurich, Switzerland. RI Heazlewood, Joshua/A-2554-2008; Hengartner, Michael/E-6235-2011; von Mering, Christian/B-3300-2008; OI Heazlewood, Joshua/0000-0002-2080-3826; von Mering, Christian/0000-0001-7734-9102; Omenn, Gilbert S./0000-0002-8976-6074; Hengartner, Michael/0000-0002-7584-596X NR 11 TC 1 Z9 1 U1 0 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1615-9853 EI 1615-9861 J9 PROTEOMICS JI Proteomics PD FEB PY 2012 VL 12 IS 3 BP 346 EP 350 DI 10.1002/pmic.201290015 PG 5 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 883HB UT WOS:000299623700003 PM 22290801 ER PT J AU Agrawal, GK Sarkar, A Agrawal, R Ndimba, BK Tanou, G Dunn, MJ Kieselbach, T Cramer, R Wienkoop, S Chen, SX Rafudeen, MS Deswal, R Barkla, BJ Weckwerth, W Heazlewood, JL Renaut, J Job, D Chakraborty, N Rakwal, R AF Agrawal, Ganesh Kumar Sarkar, Abhijit Agrawal, Raj Ndimba, Bongani Kaiser Tanou, Georgia Dunn, Michael J. Kieselbach, Thomas Cramer, Rainer Wienkoop, Stefanie Chen, Sixue Rafudeen, Mohammed Suhail Deswal, Renu Barkla, Bronwyn J. Weckwerth, Wolfram Heazlewood, Joshua L. Renaut, Jenny Job, Dominique Chakraborty, Niranjan Rakwal, Randeep TI Boosting the Globalization of Plant Proteomics through INPPO: Current Developments and Future Prospects SO PROTEOMICS LA English DT Editorial Material DE Crops; INPPO; Model plants; Plant proteomics; Tutorial AB The International Plant Proteomics Organization (INPPO) is a non-profit-organization consisting of people who are involved or interested in plant proteomics. INPPO is constantly growing in volume and activity, which is mostly due to the realization among plant proteomics researchers worldwide for the need of such a global platform. Their active participation resulted in the rapid growth within the first year of INPPO's official launch in 2011 via its website () and publication of the Viewpoint paper in a special issue of PROTEOMICS (May 2011). Here, we will be highlighting the progress achieved in the year 2011 and the future targets for the year 2012 and onwards. INPPO has achieved a successful administrative structure, the Core Committee (CC; composed of President, Vice-President, and General Secretaries), Executive Council (EC), and General Body (GB) to achieve INPPO objectives. Various committees and subcommittees are in the process of being functionalized via discussion amongst scientists around the globe. INPPO's primary aim to popularize the plant proteomics research in biological sciences has also been recognized by PROTEOMICS where a section dedicated to plant proteomics has been introduced starting January 2012, following the very first issue of this journal devoted to plant proteomics in May 2011. To disseminate organizational activities to the scientific community, INPPO has launched a biannual (in January and July) newsletter entitled INPPO Express: News & Views with the first issue published in January 2012. INPPO is also planning to have several activities in 2012, including programs within the Education Outreach committee in different countries, and the development of research ideas and proposals with priority on crop and horticultural plants, while keeping tight interactions with proteomics programs on model plants such as Arabidopsis thaliana, rice, and Medicago truncatula. Altogether, the INPPO progress and upcoming activities are because of immense support, dedication, and hard work of all members of the INPPO community, and also due to the wide encouragement and support from the communities (scientific and non-scientific). C1 [Agrawal, Ganesh Kumar; Sarkar, Abhijit] Res Lab Biotechnol & Biochem RLABB, Kathmandu, Nepal. [Sarkar, Abhijit] Banaras Hindu Univ, Dept Bot, Lab Air Pollut & Global Climate Change, CSIR SRF, Varanasi 221005, Uttar Pradesh, India. [Ndimba, Bongani Kaiser] Agr Res Council, Prote Unit, Stellenbosch, South Africa. [Ndimba, Bongani Kaiser] Univ Western Cape, Dept Biotechnol, Prote Res Grp, ZA-7535 Bellville, South Africa. [Tanou, Georgia] Aristotle Univ Thessaloniki, Fac Agr, GR-54006 Thessaloniki, Greece. [Dunn, Michael J.] Univ Coll Dublin, Sch Med & Med Sci, UCD Conway Inst Biomol & Biomed Res, Dublin 2, Ireland. [Kieselbach, Thomas] Umea Univ, Dept Chem, Umea, Sweden. [Kieselbach, Thomas] Umea Univ, Umea Plant Sci Ctr, Umea, Sweden. [Cramer, Rainer] Univ Reading, Dept Chem, Reading RG6 2AD, Berks, England. [Wienkoop, Stefanie; Weckwerth, Wolfram] Univ Vienna, Dept Mol Syst Biol, Vienna, Austria. [Chen, Sixue] Univ Florida, Dept Biol, ICBR, Gainesville, FL USA. [Rafudeen, Mohammed Suhail] Univ Cape Town, Dept Mol & Cell Biol, ZA-7700 Rondebosch, South Africa. [Deswal, Renu] Univ Delhi, Dept Bot, Delhi 110007, India. [Barkla, Bronwyn J.] Univ Nacl Autonoma Mexico, Inst Biotecnol, Cuernavaca, Morelos, Mexico. [Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. [Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Renaut, Jenny] Ctr Rech Publ Gabriel Lippman, Dept Environm & Agrobiotechnol EVA, Belvaux, GD, Luxembourg. [Job, Dominique] Bayer CropSci, CNRS UCBL INSA Bayer CropSci Joint Lab, Lyon, France. [Chakraborty, Niranjan] Natl Inst Plant Genome Res, New Delhi, India. [Rakwal, Randeep] Univ Tsukuba, Grad Sch Life & Environm Sci, Tsukuba, Ibaraki, Japan. [Rakwal, Randeep] Showa Univ, Sch Med, Dept Anat 1, Shinagawa, Tokyo, Japan. RP Agrawal, GK (reprint author), Res Lab Biotechnol & Biochem RLABB, Kathmandu, Nepal. RI renaut, jenny/K-3216-2012; Wienkoop, Stefanie/H-7509-2014; Kieselbach, Thomas/O-6023-2015; Molina, Polo/B-4307-2012; Heazlewood, Joshua/A-2554-2008; Sarkar, Abhijit/F-3383-2012 OI renaut, jenny/0000-0002-0450-3866; Wienkoop, Stefanie/0000-0003-3575-813X; Kieselbach, Thomas/0000-0001-5577-2938; Cramer, Rainer/0000-0002-8037-2511; Barkla, Bronwyn/0000-0002-4691-8023; Heazlewood, Joshua/0000-0002-2080-3826; Sarkar, Abhijit/0000-0002-7699-9741 FU Biotechnology and Biological Sciences Research Council [BB/H001948/1] NR 6 TC 8 Z9 8 U1 0 U2 17 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1615-9853 J9 PROTEOMICS JI Proteomics PD FEB PY 2012 VL 12 IS 3 BP 359 EP 368 DI 10.1002/pmic.201290018 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 883HB UT WOS:000299623700006 PM 22290804 ER PT J AU Browning, ND Bonds, MA Campbell, GH Evans, JE LaGrange, T Jungjohann, KL Masiel, DJ McKeown, J Mehraeen, S Reed, BW Santala, M AF Browning, N. D. Bonds, M. A. Campbell, G. H. Evans, J. E. LaGrange, T. Jungjohann, K. L. Masiel, D. J. McKeown, J. Mehraeen, S. Reed, B. W. Santala, M. TI Recent developments in dynamic transmission electron microscopy SO CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE LA English DT Review DE Dynamic TEM; Dark-field imaging; In situ microscopy; Liquid stages; Gas stages ID IN-SITU TEM; SOLID-LIQUID INTERFACE; TRANSIENT STRUCTURES; DIFFRACTION; GROWTH; NANOPARTICLES; MORPHOLOGIES; DEFORMATION; SYSTEM; VIEW AB One of the current major driving forces behind instrument development in transmission electron microscopy (TEM) is the ability to observe materials processes as they occur in situ within the microscope. For many processes, such as nucleation and growth, phase transformations and mechanical response under extreme conditions, the beam current in even the most advanced field emission TEM is insufficient to acquire images with the temporal resolution (similar to 1 mu s to 1 ns) needed to observe the fundamental interactions taking place. The dynamic transmission electron microscope (DIEM) avoids this problem by using a short pulse laser to create an electron pulse of the required duration through photoemission which contains enough electrons to form a complete high resolution image. The current state-of-the-art in high time resolution electron microscopy in this paper describes the development of the electron optics and detection schemes necessary to fully utilize these electron pulses for materials science. In addition, developments for future instrumentation and the experiments that are expected to be realized shortly will also be discussed. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Browning, N. D.; Bonds, M. A.; Jungjohann, K. L.; Masiel, D. J.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Browning, N. D.; Evans, J. E.; Mehraeen, S.] Univ Calif Davis, Dept Mol & Cellular Biol, Davis, CA 95616 USA. [Campbell, G. H.; LaGrange, T.; McKeown, J.; Reed, B. W.; Santala, M.] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Phys & Life Sci Directorate, Livermore, CA 94550 USA. RP Browning, ND (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, 1 Shields Ave, Davis, CA 95616 USA. EM nbrowning@ucdavis.edu RI Reed, Bryan/C-6442-2013; Campbell, Geoffrey/F-7681-2010; Santala, Melissa/K-6871-2013; OI Santala, Melissa/0000-0002-5189-5153; Browning, Nigel/0000-0003-0491-251X FU US Department of Energy by Lawrence Livermore National Laboratory; Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the US Department of Energy [DE-AC52-07NA27344]; DOE NNSA-SSAA [DE-FG52-06NA26213]; NIH [RR025032-01]; NSF; ExxonMobil FX Aspects of this work were performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory and supported by the Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the US Department of Energy under Contract DE-AC52-07NA27344. Aspects of this work were also supported by DOE NNSA-SSAA Grant Number DE-FG52-06NA26213, by NIH Grant Number RR025032-01, by NSF Grant and by ExxonMobil. NR 52 TC 28 Z9 28 U1 17 U2 124 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-0286 J9 CURR OPIN SOLID ST M JI Curr. Opin. Solid State Mat. Sci. PD FEB PY 2012 VL 16 IS 1 SI SI BP 23 EP 30 DI 10.1016/j.cossms.2011.07.001 PG 8 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 882YQ UT WOS:000299600200003 ER PT J AU Yan, YF Al-Jassim, MM AF Yan, Yanfa Al-Jassim, Mowafak M. TI Transmission electron microscopy of chalcogenide thin-film photovoltaic materials SO CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE LA English DT Review DE TEM; Photovoltaic; Solar cell; CdTe; CIGS; Interface; Defect ID SOLAR-CELLS; MOSE2 LAYER; EFFICIENCY; CDTE; CU(IN,GA)SE-2; INTERFACES; BOUNDARIES; CUINSE2; CBD AB Thin-film photovoltaic modules hold great promise to produce sustainable, low-cost, and clean electricity from sunlight, because thin-film solar cells can potentially be fabricated by economical, high-volume manufacturing techniques. However, to achieve high sunlight-to-electricity conversion efficiency, thin-film solar cells require sophisticated control on interface formation and materials qualities. Transmission electron microscopy (TEM) provides unique methods to access this information at the nanometer scale. In this paper, we provide a brief review on TEM studies of the interfaces, microstructure, and lattice defects in chalcogenide thin-film photovoltaic materials. We analyze the potential effects of the observed interface formation and materials quality that could affect the performance of solar cells. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Yan, Yanfa; Al-Jassim, Mowafak M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Yan, YF (reprint author), Univ Toledo, Dept Phys, 2801 Bancroft St, Toledo, OH 43606 USA. EM Yanfa.yan@utoledo.edu FU US Department of Energy [DE-AC36-08GO28308] FX The authors are grateful to P. Shelton, R. Noufi, D. Albin, X. Li, T. Gessert, K. Jones, W. Stanbery, and S. Pennycook for providing samples used in this study and/or fruitful discussions. The research was supported by the US Department of Energy under Contract No. DE-AC36-08GO28308. NR 45 TC 12 Z9 12 U1 4 U2 67 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-0286 J9 CURR OPIN SOLID ST M JI Curr. Opin. Solid State Mat. Sci. PD FEB PY 2012 VL 16 IS 1 SI SI BP 39 EP 44 DI 10.1016/j.cossms.2011.10.001 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 882YQ UT WOS:000299600200005 ER PT J AU Wakelin, SA Anand, RR Reith, F Gregg, AL Noble, RRP Goldfarb, KC Andersen, GL DeSantis, TZ Piceno, YM Brodie, EL AF Wakelin, Steven A. Anand, Ravi R. Reith, Frank Gregg, Adrienne L. Noble, Ryan R. P. Goldfarb, Kate C. Andersen, Gary L. DeSantis, Todd Z. Piceno, Yvette M. Brodie, Eoin L. TI Bacterial communities associated with a mineral weathering profile at a sulphidic mine tailings dump in arid Western Australia SO FEMS MICROBIOLOGY ECOLOGY LA English DT Article DE PhyloChip; mineral weathering; PCR-DGGE ID MICROBIAL COMMUNITIES; ZINC MINE; SULFIDE DEPOSIT; CLONE LIBRARY; HEAVY-METALS; DIVERSITY; COPPER; SOILS; ENVIRONMENT; WASTE AB We investigated bacterial community assemblages and functions down a hill slope contaminated by tailings from a volcanogenic massive sulphide mine in arid Western Australia. Weathering of waste rock, high in S and Fe, had resulted in a varying elemental dispersal down a face of the tailings hill. Bacterial community assemblage, characterised by PCRDGGE fingerprinting, was significantly associated with electrical conductivity (E.C.) (? = 0.664; P < 0.01). Analysis of mobile salts showed that E.C. values were driven by ionic S, Zn, Cl and Al. The bacterial community assemblage was directly characterised across an E.C. gradient using an oligonucleotide microarray (PhyloChip). The dominant taxa at the site were Proteobacteria, Actinobacteria and Firmicutes; however, 37 phyla were detected. The most responsive taxa to variation in E.C. was Acidobacteria (negative correlation). Patterns of heterotrophic processes (BioLog analysis) were also best explained by variation in E.C. (? = 0.53; P < 0.01), showing a link between primary mineral weathering by lithotrophic bacteria and abiotic processes, and secondary biogeochemical processes by heterotrophic taxa. These data significantly broaden our knowledge of the bacteria present in metallomorphic ecosystems, establish that mobile phase elements are key drivers of community structure, and that primary biogeochemical cycling is directly influencing other geochemical interactions in the samples. C1 [Wakelin, Steven A.] AgResearch Ltd, Lincoln Sci Ctr, Christchurch 8140, New Zealand. [Wakelin, Steven A.; Reith, Frank; Gregg, Adrienne L.] CSIRO Land & Water, Environm Biogeochem, Glen Osmond, SA, Australia. [Anand, Ravi R.; Noble, Ryan R. P.] CSIRO Explorat & Min, CSIRO Minerals Flagship, Perth, WA, Australia. [Reith, Frank] Univ Adelaide, Sch Earth & Environm Sci, Ctr Tecton Resources & Explorat, Adelaide, SA, Australia. [Goldfarb, Kate C.; Andersen, Gary L.; DeSantis, Todd Z.; Piceno, Yvette M.; Brodie, Eoin L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Ecol, Berkeley, CA 94720 USA. RP Wakelin, SA (reprint author), AgResearch Ltd, Lincoln Sci Ctr, Cnr Springs Rd & Gerald St,Private Bag 4749, Christchurch 8140, New Zealand. EM steve.wakelin@agresearch.co.nz RI Reith, Frank/E-5542-2011; Noble, Ryan/H-1781-2011; Wakelin, Steven/C-3170-2011; Andersen, Gary/G-2792-2015; Brodie, Eoin/A-7853-2008; Piceno, Yvette/I-6738-2016 OI Noble, Ryan/0000-0001-5827-1020; Wakelin, Steven/0000-0002-1167-8699; Andersen, Gary/0000-0002-1618-9827; Brodie, Eoin/0000-0002-8453-8435; Piceno, Yvette/0000-0002-7915-4699 FU AMIRA; Cooperative Research Centre for Landscape Evolution and Mineral Exploration (CRC LEME); CSIRO OCE; US Department of Energy by the University of California, Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX We thank AMIRA and the associated industry sponsors of project P778, including the Cooperative Research Centre for Landscape Evolution and Mineral Exploration (CRC LEME) for their support for this work. In particular, Jabiru Metals kindly provided access and logistics for sampling of the Teutonic Bore site mine site. Analysis of bacterial communities by PhyloChip analysis was supported by a visit to the LBL laboratories by S. W., funded by a CSIRO OCE Julius Award. Part of this work was performed under the auspices of the US Department of Energy by the University of California, Lawrence Berkeley National Laboratory, under Contract DE-AC02-05CH11231. Julie Smith, Claire Wright and Jason Kirby, all CSIRO Land and Water, conducted physicochemical analysis of the regolith samples. Bob Clarke (Plymouth Marine Laboratories) kindly provided useful comment on the statistical analysis -particularly relating to the use of routines in the PRIMER6 software package. We thank two anonymous reviews for the comments on this work. NR 57 TC 18 Z9 19 U1 4 U2 39 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0168-6496 J9 FEMS MICROBIOL ECOL JI FEMS Microbiol. Ecol. PD FEB PY 2012 VL 79 IS 2 BP 298 EP 311 DI 10.1111/j.1574-6941.2011.01215.x PG 14 WC Microbiology SC Microbiology GA 872CA UT WOS:000298782900003 PM 22092956 ER PT J AU Wawrik, B Boling, WB Van Nostrand, JD Xie, JP Zhou, JZ Bronk, DA AF Wawrik, Boris Boling, Wilford B. Van Nostrand, Joy D. Xie, Jianping Zhou, Jizhong Bronk, Deborah A. TI Assimilatory nitrate utilization by bacteria on the West Florida Shelf as determined by stable isotope probing and functional microarray analysis SO FEMS MICROBIOLOGY ECOLOGY LA English DT Article DE stable isotope probing; marine bacteria; nitrogen cycling; nitrate ID REDUCTASE GENES NIRK; NITRITE REDUCTASE; AEROBIC DENITRIFICATION; DENITRIFYING BACTERIA; COMMUNITY COMPOSITION; MARINE-BACTERIA; CLONE LIBRARIES; BARENTS SEA; RNA; DIVERSITY AB Dissolved inorganic nitrogen (DIN) uptake by marine heterotrophic bacteria has important implications for the global nitrogen (N) and carbon (C) cycles. Bacterial nitrate utilization is more prevalent in the marine environment than traditionally thought, but the taxonomic identity of bacteria that utilize nitrate is difficult to determine using traditional methodologies. 15N-based DNA stable isotope probing was applied to document direct use of nitrate by heterotrophic bacteria on the West Florida Shelf. Seawater was incubated in the presence of 2 mu M 15N ammonium or 15N nitrate. DNA was extracted, fractionated via CsCl ultracentrifugation, and each fraction was analyzed by terminal restriction fragment length polymorphism (TRFLP) analysis. TRFs that exhibited density shifts when compared to controls that had not received 15N amendments were identified by comparison with 16S rRNA gene sequence libraries. Relevant marine proteobacterial lineages, notably Thalassobacter and Alteromonadales, displayed evidence of 15N incorporation. RT-PCR and functional gene microarray analysis could not demonstrate the expression of the assimilatory nitrate reductase gene, nasA, but mRNA for dissimilatory pathways, i.e. nirS, nirK, narG, nosZ, napA, and nrfA was detected. These data directly implicate several bacterial populations in nitrate uptake, but suggest a more complex pattern for N flow than traditionally implied. C1 [Wawrik, Boris; Boling, Wilford B.; Van Nostrand, Joy D.; Xie, Jianping; Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Van Nostrand, Joy D.; Xie, Jianping; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Van Nostrand, Joy D.; Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Bronk, Deborah A.] Virginia Inst Marine Sci, Coll William & Mary, Gloucester Point, VA 23062 USA. RP Wawrik, B (reprint author), Univ Oklahoma, Dept Bot & Microbiol, George Lynn Cross Hall,770 Van Vleet Oval, Norman, OK 73019 USA. EM bwawrik@ou.edu RI Van Nostrand, Joy/F-1740-2016 OI Van Nostrand, Joy/0000-0001-9548-6450 FU OAA ECOHAB [NA 06 NOS4780246]; National Science Foundation [OCE-0961900, OCE-0960806]; ENIGMA through the Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors thank the crew of the R/V Pelican for providing excellent shipboard support. Cruise time was supported by a grant from the NOAA ECOHAB program via NA 06 NOS4780246 to D. B. This work was supported by National Science Foundation grants OCE-0961900 to B. W. and OCE-0960806 to D. A. B. GeoChip analysis was supported by ENIGMA through the Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This is contribution number 3187 of the Virginia Institute of Marine Science, The College of William and Mary. NR 45 TC 16 Z9 17 U1 3 U2 61 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0168-6496 J9 FEMS MICROBIOL ECOL JI FEMS Microbiol. Ecol. PD FEB PY 2012 VL 79 IS 2 BP 400 EP 411 DI 10.1111/j.1574-6941.2011.01226.x PG 12 WC Microbiology SC Microbiology GA 872CA UT WOS:000298782900012 PM 22092701 ER PT J AU Richardson, AD Anderson, RS Arain, MA Barr, AG Bohrer, G Chen, GS Chen, JM Ciais, P Davis, KJ Desai, AR Dietze, MC Dragoni, D Garrity, SR Gough, CM Grant, R Hollinger, DY Margolis, HA McCaughey, H Migliavacca, M Monson, RK Munger, JW Poulter, B Raczka, BM Ricciuto, DM Sahoo, AK Schaefer, K Tian, HQ Vargas, R Verbeeck, H Xiao, JF Xue, YK AF Richardson, Andrew D. Anderson, Ryan S. Arain, M. Altaf Barr, Alan G. Bohrer, Gil Chen, Guangsheng Chen, Jing M. Ciais, Philippe Davis, Kenneth J. Desai, Ankur R. Dietze, Michael C. Dragoni, Danilo Garrity, Steven R. Gough, Christopher M. Grant, Robert Hollinger, David Y. Margolis, Hank A. McCaughey, Harry Migliavacca, Mirco Monson, Russell K. Munger, J. William Poulter, Benjamin Raczka, Brett M. Ricciuto, Daniel M. Sahoo, Alok K. Schaefer, Kevin Tian, Hanqin Vargas, Rodrigo Verbeeck, Hans Xiao, Jingfeng Xue, Yongkang TI Terrestrial biosphere models need better representation of vegetation phenology: results from the North American Carbon Program Site Synthesis SO GLOBAL CHANGE BIOLOGY LA English DT Article DE autumn senescence; carbon cycle; land surface model (LSM); leaf area index (LAI); model error; North American Carbon Program (NACP); phenology; seasonal dynamics; spring onset ID NET ECOSYSTEM PRODUCTIVITY; LEAF-AREA INDEX; SUB-ALPINE FOREST; DECIDUOUS FOREST; SPRING PHENOLOGY; TEMPERATE REGIONS; HIGH-ELEVATION; SATELLITE DATA; CLIMATE-CHANGE; UNITED-STATES AB Phenology, by controlling the seasonal activity of vegetation on the land surface, plays a fundamental role in regulating photosynthesis and other ecosystem processes, as well as competitive interactions and feedbacks to the climate system. We conducted an analysis to evaluate the representation of phenology, and the associated seasonality of ecosystem-scale CO2 exchange, in 14 models participating in the North American Carbon Program Site Synthesis. Model predictions were evaluated using long-term measurements (emphasizing the period 20002006) from 10 forested sites within the AmeriFlux and Fluxnet-Canada networks. In deciduous forests, almost all models consistently predicted that the growing season started earlier, and ended later, than was actually observed; biases of 2 weeks or more were typical. For these sites, most models were also unable to explain more than a small fraction of the observed interannual variability in phenological transition dates. Finally, for deciduous forests, misrepresentation of the seasonal cycle resulted in over-prediction of gross ecosystem photosynthesis by +160 145 g C m-2 yr-1 during the spring transition period and +75 +/- 130 g C m-2 yr-1 during the autumn transition period (13% and 8% annual productivity, respectively) compensating for the tendency of most models to under-predict the magnitude of peak summertime photosynthetic rates. Models did a better job of predicting the seasonality of CO2 exchange for evergreen forests. These results highlight the need for improved understanding of the environmental controls on vegetation phenology and incorporation of this knowledge into better phenological models. Existing models are unlikely to predict future responses of phenology to climate change accurately and therefore will misrepresent the seasonality and interannual variability of key biosphereatmosphere feedbacks and interactions in coupled global climate models. C1 [Richardson, Andrew D.] Harvard Univ, Dept Organism & Evolutionary Biol, HUH, Cambridge, MA 02138 USA. [Anderson, Ryan S.] Univ Montana, Numer Terradynam Simulat Grp, Missoula, MT 59812 USA. [Arain, M. Altaf] McMaster Univ, Sch Geog & Earth Sci, Hamilton, ON L8S 4K1, Canada. [Barr, Alan G.] Environm Canada, Sci & Technol Branch, Saskatoon, SK S7N 3H5, Canada. [Bohrer, Gil] Ohio State Univ, Dept Civil & Environm Engn & Geodet Sci, Columbus, OH 43210 USA. [Chen, Guangsheng] Auburn Univ, Sch Forestry & Wildlife Sci, Auburn, AL 36849 USA. [Chen, Jing M.] Univ Toronto, Dept Geog, Toronto, ON M5S 3G3, Canada. [Ciais, Philippe] CEA CNRS UVSQ, Lab Sci Climatet Environm LSCE, F-91190 Gif Sur Yvette, France. [Davis, Kenneth J.; Raczka, Brett M.] Penn State Univ, Dept Meteorol, University Pk, PA 16802 USA. [Desai, Ankur R.] Univ Wisconsin, Dept Atmospher & Ocean Sci, Madison, WI 53706 USA. [Dietze, Michael C.] Univ Illinois, Dept Plant Biol, Urbana, IL 61801 USA. [Dragoni, Danilo] Indiana Univ, Dept Geog, Bloomington, IN 47405 USA. [Garrity, Steven R.] Ohio State Univ, Dept Civil & Environm Engn, Columbus, OH 43210 USA. [Gough, Christopher M.] Virginia Commonwealth Univ, Dept Biol, Richmond, VA 23284 USA. [Grant, Robert] Univ Alberta, Dept Renewable Resources, Edmonton, AB T6G 2E3, Canada. [Hollinger, David Y.] US Forest Serv, No Res Stn, USDA, Durham, NH 03824 USA. [Margolis, Hank A.] Univ Laval, Ctr Etud Foret, Fac Forestry Geog & Geomat, Quebec City, PQ G1V 0A6, Canada. [McCaughey, Harry] Queens Univ, Dept Geog, Kingston, ON K7L 3N6, Canada. [Migliavacca, Mirco] European Commiss DG Joint Res Ctr, Inst Environm & Sustainabil, Climate Change & Air Qual Unit, I-21027 Ispra, VA, Italy. [Monson, Russell K.] Univ Colorado, Dept Ecol & Evolutionary Biol, Boulder, CO 80309 USA. [Monson, Russell K.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. [Munger, J. William] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Munger, J. William] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. [Poulter, Benjamin] Swiss Fed Res Inst WSL, CH-8903 Birmensdorf, Switzerland. [Ricciuto, Daniel M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Sahoo, Alok K.] Princeton Univ, Dept Civil & Environm Engn, Princeton, NJ 08544 USA. [Schaefer, Kevin] Univ Colorado, Natl Snow & Ice Data Ctr, Boulder, CO 80309 USA. [Tian, Hanqin] Auburn Univ, Int Ctr Climate & Global Change Res, Sch Forestry & Wildlife Sci, Auburn, AL 36849 USA. [Vargas, Rodrigo] Ctr Invest Cient & Educ Super Ensenada CICESE, Ensenada, Baja California, Mexico. [Verbeeck, Hans] Univ Ghent, Plant Ecol Lab, Fac Biosci Engn, Ghent, Belgium. [Xiao, Jingfeng] Univ New Hampshire, Complex Syst Res Ctr, Durham, NH 03824 USA. [Xue, Yongkang] Univ Calif Los Angeles, Dept Geog, Los Angeles, CA 90095 USA. RP Richardson, AD (reprint author), Harvard Univ, Dept Organism & Evolutionary Biol, HUH, 22 Divin Ave, Cambridge, MA 02138 USA. EM arichardson@oeb.harvard.edu RI Vargas, Rodrigo/C-4720-2008; Tian, Hanqin/A-6484-2012; Garrity, Steven/A-8929-2011; Hollinger, David/G-7185-2012; Dietze, Michael/A-5834-2009; Migliavacca, mirco/C-1260-2011; Verbeeck, Hans/A-2106-2009; Bohrer, Gil/A-9731-2008; Richardson, Andrew/F-5691-2011; Desai, Ankur/A-5899-2008; Barr, Alan/H-9939-2014; Ricciuto, Daniel/I-3659-2016; Munger, J/H-4502-2013; OI Vargas, Rodrigo/0000-0001-6829-5333; Tian, Hanqin/0000-0002-1806-4091; Dietze, Michael/0000-0002-2324-2518; Verbeeck, Hans/0000-0003-1490-0168; Richardson, Andrew/0000-0002-0148-6714; Desai, Ankur/0000-0002-5226-6041; Ricciuto, Daniel/0000-0002-3668-3021; Munger, J/0000-0002-1042-8452; Grant, Robert/0000-0002-8890-6231; Bohrer, Gil/0000-0002-9209-9540; Arain, M. Altaf/0000-0002-1433-5173; Poulter, Benjamin/0000-0002-9493-8600 FU Office of Science (BER), US Department of Energy through the Northeastern Regional Center of the National Institute for Climatic Change Research [DE-AI02-07ER64355]; National Science Foundation [EF-1065029, DEB 0911461]; Midwestern Regional Center of the National Institute for Global Environmental Change [DE-FC03-90ER61010, DE-FC02-06ER64158]; USDA Northern Research Station [09-JV-11242306-105]; Wisconsin Focus on Energy; US Department of Energy [DE-FG02-07ER64371]; NOAA [NA07OAR431011] FX We thank the NACP Site Synthesis, the modeling teams, and the AmeriFlux and Fluxnet-Canada Research Network/Canadian Carbon Program PIs who provided the data on which this analysis is based. We also thank the funding agencies that have supported model development and long-term flux measurements. A. D. R. thanks Mark Friedl and Steve Running for feedback on a draft manuscript, and Youngryel Ryu for assistance with leaf area index estimates. A. D. R. and D. Y. H. acknowledge support from the Office of Science (BER), US Department of Energy, through the Terrestrial Carbon Program under Interagency Agreement No. DE-AI02-07ER64355 and through the Northeastern Regional Center of the National Institute for Climatic Change Research. A. D. R. acknowledges additional support from the National Science Foundation through the Macrosystems Biology program, award EF-1065029. A. R. D. and K. J. D. acknowledge support from the Midwestern Regional Center of the National Institute for Global Environmental Change under Cooperative Agreement No. DE-FC03-90ER61010, USDA Northern Research Station Joint Venture agreement 09-JV-11242306-105, and the Wisconsin Focus on Energy. D. D. acknowledges support from the Office of Science (BER), US Department of Energy, through agreement DE-FG02-07ER64371. G. B. and C. M. G. acknowledge support from the National Science Foundation grant no. DEB 0911461 and the Midwestern Regional Center of the National Institute for Global Environmental Change under Cooperative Agreement No. DE-FC02-06ER64158. K. S. acknowledges support from NOAA Award NA07OAR431011. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation. NR 84 TC 191 Z9 199 U1 10 U2 159 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 FEB PY 2012 VL 18 IS 2 BP 566 EP 584 DI 10.1111/j.1365-2486.2011.02562.x PG 19 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 875PB UT WOS:000299042500015 ER PT J AU King, DA Altic, N Greer, C AF King, David A. Altic, Nickolas Greer, Colt TI Minimum Detectable Concentration as a Function of Gamma Walkover Survey Technique SO HEALTH PHYSICS LA English DT Article DE operational topics; minimum detectable activity; radiation safety; surveys AB Gamma walkover surveys are often performed by swinging the radiation detector (e.g., a 2-inch by 2-inch sodium iodide) in a serpentine pattern at a near constant height above the ground surface. The objective is to survey an approximate 1-m swath with 100% coverage producing an equal probability of detecting contamination at any point along the swing. In reality, however, the detector height will vary slightly along the swing path, and in some cases the detector may follow a pendulum-like motion significantly reducing the detector response and increasing the minimum detectable concentration. This paper quantifies relative detector responses for fixed and variable height swing patterns and demonstrates negative impacts on the minimum detectable concentration. Minimum detectable concentrations are calculated for multiple contaminated surface areas (0.1, 1.0, 3, 10, and 30 m(2)), multiple contaminants (Co-60, Cs-137, Am-241, and Ra-226), and two minimum heights (5 and 10 cm). Exposure rate estimates used in minimum detectable concentration calculations are produced using MicroShield (TM) v.7.02 (Grove Software, Inc., 4925 Boonsboro Road #257, Lynchberg, VA 24503) and MDCs are calculated as outlined in NUREG-1575. Results confirm a pendulum-like detector motion can significantly increase MDCs relative to a low flat trajectory, especially for small areas of elevated activity-up to a 47% difference is observed under worst-modeled conditions. Health Phys. 102 (Supplement 1):S22-S27; 2012 C1 [King, David A.; Altic, Nickolas] Oak Ridge Associated Univ, Oak Ridge, TN USA. [Greer, Colt] Ecol Serv Inc, Columbia, MD 21046 USA. RP King, DA (reprint author), Oak Ridge Associated Univ, 1299 Bethel Valley Rd, Oak Ridge, TN USA. EM king.david@orau.org NR 2 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD FEB PY 2012 VL 102 IS 2 SU S BP S22 EP S27 PG 6 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 880WJ UT WOS:000299439100005 PM 22249469 ER PT J AU Choquette, KD Chen, C Harren, ACL Grasso, DM Plant, DV AF Choquette, Kent D. Chen, Chen Harren, Ann C. Lehman Grasso, Daniel M. Plant, David V. TI Reconfigurable Digital Functionality of Composite Resonator Vertical Cavity Lasers SO IEEE JOURNAL OF QUANTUM ELECTRONICS LA English DT Article DE High speed modulation; semiconductor lasers; vertical cavity surface emitting lasers ID SURFACE-EMITTING LASERS; COUPLED SEMICONDUCTOR MICROCAVITY; MODULATION; THRESHOLD; DIODE; EMISSION AB The composite resonator vertical cavity surface laser can perform multiple digital functionalities at greater than 10 GHz bandwidth, including: direct intensity modulation, wavelength division multiplexing, multilevel pulse amplitude modulation, and optical picosecond pulse generation. The unique attributes of these microcavity lasers arise from the two strongly coupled optical cavities which can be electrically injected independently. Reconfiguration among multiple functionalities is achieved by control of the three terminal signals input into the laser and can be achieved using a high-speed digital circuit whose logic can be adjusted to provide appropriate modulation voltages to the optically coupled laser cavities. The novel optical properties of composite resonators are reviewed with a focus on several different digital functionalities possible from this semiconductor laser. C1 [Choquette, Kent D.] Univ Illinois, Dept Elect & Comp Engn, Urbana, IL 61801 USA. [Chen, Chen] Ciena Corp, Ottawa, ON K2K 3C8, Canada. [Harren, Ann C. Lehman] Sandia Natl Labs, Livermore, CA 94551 USA. [Grasso, Daniel M.] Coherent Inc, Santa Clara, CA 95054 USA. [Plant, David V.] McGill Univ, Dept Elect & Comp Engn, Montreal, PQ H3A 2A7, Canada. RP Choquette, KD (reprint author), Univ Illinois, Dept Elect & Comp Engn, 1406 W Green St, Urbana, IL 61801 USA. EM choquett@illinois.edu; chenchen@ciena.com; ann.harren@gmail.com; dan.grasso@gmail.com; david.plant@mcgill.ca NR 26 TC 0 Z9 0 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9197 J9 IEEE J QUANTUM ELECT JI IEEE J. Quantum Electron. PD FEB PY 2012 VL 48 IS 2 BP 153 EP 159 DI 10.1109/JQE.2011.2171328 PG 7 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 880TB UT WOS:000299429100009 ER PT J AU Srinivasan, T Bruno, WJ Wan, R Yen, A Duong, J Deana, D AF Srinivasan, Tara Bruno, William J. Wan, Raymond Yen, Albert Duong, Jennifer Deana, Deborah TI In Vitro Recombinants of Antibiotic-Resistant Chlamydia trachomatis Strains Have Statistically More Breakpoints than Clinical Recombinants for the Same Sequenced Loci and Exhibit Selection at Unexpected Loci SO JOURNAL OF BACTERIOLOGY LA English DT Article ID TRYPTOPHAN SYNTHASE; GENE-TRANSFER; QUINOLONE-RESISTANCE; TISSUE TROPISM; OMPA GENE; GENOME; EVOLUTION; SUSCEPTIBILITY; POLYMORPHISMS; AZITHROMYCIN AB Lateral gene transfer (LGT) is essential for generating between-strain genomic recombinants of Chlamydia trachomatis to facilitate the organism's evolution. Because there is no reliable laboratory-based gene transfer system for C. trachomatis, in vitro generation of recombinants from antibiotic-resistant strains is being used to study LGT. However, selection pressures imposed on in vitro recombinants likely affect statistical properties of recombination relative to naturally occurring clinical recombinants, including prevalence at particular loci. We examined multiple loci for 16 in vitro-derived recombinants of ofloxacin-and rifampin-resistant L(1) and D strains, respectively, grown with both antibiotics, and compared these with the same sequenced loci among 11 clinical recombinants. Breakpoints and recombination frequency were examined using phylogenetics, bioinformatics, and statistics. In vitro and clinical isolates clustered perfectly into two groups, without misclassification, using Ward's minimum variance based on breakpoint data. As expected, gyrA (confers ofloxacin resistance) and rpoB (confers rifampin resistance) had significantly more breakpoints among in vitro recombinants than among clinical recombinants (P < 0.0001 and P = 0.02, respectively, using the Wilcoxon rank sum test). Unexpectedly, trpA also had significantly more breakpoints for in vitro recombinants (P < 0.0001). There was also significant selection at other loci. The strongest bias was for ompA in strain D (P = 3.3 x 10(-8)). Our results indicate that the in vitro model differs statistically from natural recombination events. Additional genomic studies are needed to determine the factors responsible for the observed selection biases at unexpected loci and whether these are important for LGT to inform approaches for genetically manipulating C. trachomatis. C1 [Srinivasan, Tara; Wan, Raymond; Yen, Albert; Duong, Jennifer; Deana, Deborah] Childrens Hosp Oakland, Res Inst, Ctr Immunobiol & Vaccine Dev, Oakland, CA 94609 USA. [Bruno, William J.] Los Alamos Natl Lab, Div T6, Los Alamos, NM USA. [Deana, Deborah] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Deana, Deborah] Univ Calif San Francisco, Grad Program Bioengn, Berkeley, CA USA. [Deana, Deborah] Univ Calif San Francisco, Dept Med, San Francisco, CA USA. RP Deana, D (reprint author), Childrens Hosp Oakland, Res Inst, Ctr Immunobiol & Vaccine Dev, Oakland, CA 94609 USA. EM ddean@chori.org RI Luan, Gan/B-3211-2015 FU Public Health Service [R01 AI059647]; National Science Foundation-U.S. Department of Agriculture [2009-65109-05760] FX This research was supported in part by Public Health Service grant R01 AI059647 (to D.D.) and by National Science Foundation-U.S. Department of Agriculture grant 2009-65109-05760 (to D.D.). NR 44 TC 4 Z9 4 U1 0 U2 2 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD FEB PY 2012 VL 194 IS 3 BP 617 EP 626 DI 10.1128/JB.06268-11 PG 10 WC Microbiology SC Microbiology GA 879DF UT WOS:000299309200009 PM 22123249 ER PT J AU Kemei, MC Moffitt, SL Shoemaker, DP Seshadri, R AF Kemei, Moureen C. Moffitt, Stephanie L. Shoemaker, Daniel P. Seshadri, Ram TI Evolution of magnetic properties in the normal spinel solid solution Mg1-xCuxCr2O4 SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID MGCR2O4; FRUSTRATION; CRYSTAL; SYSTEMS; CR2O3 AB We examine the evolution of magnetic properties in the normal spinel oxides Mg1-xCuxCr2O4 using magnetization and heat capacity measurements. The end-member compounds of the solid solution series have been studied in some detail because of their very interesting magnetic behavior. MgCr2O4 is a highly frustrated system that undergoes a first-order structural transition at its antiferromagnetic ordering temperature. CuCr2O4 is tetragonal at room temperature as a result of Jahn-Teller active tetrahedral Cu2+ and undergoes a magnetic transition at 135 K. Substitution of magnetic cations for diamagnetic Mg2+ on the tetrahedral A site in the compositional series Mg1-xCuxCr2O4 dramatically affects magnetic behavior. In the composition range 0 <= x <= approximate to 0.3, the compounds are antiferromagnetic. A sharp peak observed at 12.5 K in the heat capacity of MgCr2O4 corresponding to a magnetically driven first-order structural transition is suppressed even for small x. Uncompensated magnetism-with open magnetization loops-develops for samples in the x range approximate to 0.43 <= x <= 1. Multiple magnetic ordering temperatures and large coercive fields emerge in the intermediate composition range 0 : 43 <= x <= 0.47. The Neel temperature increases with increasing x across the series while the value of the Curie-Weiss (CW)-C-Theta decreases. A magnetic temperature-composition phase diagram of the solid solution series is presented. C1 [Kemei, Moureen C.; Moffitt, Stephanie L.; Seshadri, Ram] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Shoemaker, Daniel P.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Kemei, MC (reprint author), Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. EM kemei@mrl.ucsb.edu RI Seshadri, Ram/C-4205-2013 OI Seshadri, Ram/0000-0001-5858-4027 FU National Science Foundation through a Materials World Network [DMR 0909180]; Schlumberger Foundation Faculty; Materials Research Laboratory; NSF [DMR 1121053]; Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX MCK thanks Joshua Kurzman and Phillip Barton for helpful comments. We gratefully acknowledge support from the National Science Foundation through a Materials World Network grant (DMR 0909180). MCK is supported by the Schlumberger Foundation Faculty for the Future Fellowship. SLM is supported by the RISE program at the Materials Research Laboratory. Use of shared experimental facilities of the Materials Research Laboratory: an NSF MRSEC, supported by NSF DMR 1121053 is acknowledged. The MRL is a member of the NSF-supported Materials Research Facilities Network (www.mrfn.org). The 11-BM beamline at the Advanced Photon Source is supported by the Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. NR 42 TC 6 Z9 6 U1 0 U2 32 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 FEB 1 PY 2012 VL 24 IS 4 AR 046003 DI 10.1088/0953-8984/24/4/046003 PG 8 WC Physics, Condensed Matter SC Physics GA 879JS UT WOS:000299326100027 PM 22223597 ER PT J AU Kutscher, C Burkholder, F Stynes, JK AF Kutscher, Charles Burkholder, Frank Stynes, J. Kathleen TI Generation of a Parabolic Trough Collector Efficiency Curve From Separate Measurements of Outdoor Optical Efficiency and Indoor Receiver Heat Loss SO JOURNAL OF SOLAR ENERGY ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article DE heat losses; solar absorber-convertors; sunlight AB The thermal efficiency of a parabolic trough collector is a function of both the fraction of direct normal radiation absorbed by the receiver (the optical efficiency) and the heat lost to the environment when the receiver is at operating temperature. The thermal efficiency can be determined by testing the collector under actual operating conditions or by separately measuring these two components. This paper describes how outdoor measurement of the optical efficiency is combined with laboratory measurements of receiver heat loss to obtain the thermal efficiency curve. This paper describes this approach and also makes the case that there are advantages to plotting collector efficiency versus the difference between the operating temperature and the ambient temperature at which the receiver heat loss was measured divided by radiation to a fractional power (on the order of 1/3 but obtained via data regression)-as opposed to the difference between operating and ambient temperatures divided by the radiation. The results are shown to be robust over wide ranges of ambient temperature, sky temperature, and wind speed. [DOI: 10.1115/1.4005247] C1 [Kutscher, Charles; Burkholder, Frank] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Stynes, J. Kathleen] Univ Colorado, Dept Mech Engn, Boulder, CO 80301 USA. RP Kutscher, C (reprint author), Natl Renewable Energy Lab, MS 5202,1617 Cole Blvd, Golden, CO 80401 USA. EM chuck.kutscher@nrel.gov FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory FX This work was supported by the U.S. Department of Energy under the Contract No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory. We would like to thank SkyFuel Inc. for providing their SkyTrough collector for testing at NREL as well as for providing data from their test loop. NR 9 TC 7 Z9 7 U1 1 U2 9 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0199-6231 J9 J SOL ENERG-T ASME JI J. Sol. Energy Eng. Trans.-ASME PD FEB PY 2012 VL 134 IS 1 AR 011012 DI 10.1115/1.4005247 PG 6 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 874NQ UT WOS:000298965700012 ER PT J AU Segundo, FDS Weiss, M Perez-Martin, E Dias, CC Grubman, MJ de los Santos, T AF Segundo, Fayna Diaz-San Weiss, Marcelo Perez-Martin, Eva Dias, Camila C. Grubman, Marvin J. de los Santos, Teresa TI Inoculation of Swine with Foot-and-Mouth Disease SAP-Mutant Virus Induces Early Protection against Disease SO JOURNAL OF VIROLOGY LA English DT Article ID B-MEDIATED TRANSCRIPTION; BINDING-PROTEIN COMPLEX; T-CELL RESPONSE; KAPPA-B; LEADER PROTEINASE; IMMUNE-RESPONSE; DENDRITIC CELLS; ALPHA/BETA INTERFERON; POLIOVIRUS INFECTION; ANTIVIRAL ACTIVITY AB Foot-and-mouth disease virus (FMDV) leader proteinase (L(pro)) cleaves itself from the viral polyprotein and cleaves the translation initiation factor eIF4G. As a result, host cell translation is inhibited, affecting the host innate immune response. We have demonstrated that L(pro) is also associated with degradation of nuclear factor kappa B (NF-kappa B), a process that requires L(pro) nuclear localization. Additionally, we reported that disruption of a conserved protein domain within the L(pro) coding sequence, SAP mutation, prevented L(pro) nuclear retention and degradation of NF-kappa B, resulting in in vitro attenuation. Here we report that inoculation of swine with this SAP-mutant virus does not cause clinical signs of disease, viremia, or virus shedding even when inoculated at doses 100-fold higher than those required to cause disease with wild-type (WT) virus. Remarkably, SAP-mutant virus-inoculated animals developed a strong neutralizing antibody response and were completely protected against challenge with WT FMDV as early as 2 days postinoculation and for at least 21 days postinoculation. Early protection correlated with a distinct pattern in the serum levels of proinflammatory cytokines in comparison to the levels detected in animals inoculated with WT FMDV that developed disease. In addition, animals inoculated with the FMDV SAP mutant displayed a memory T cell response that resembled infection with WT virus. Our results suggest that L(pro) plays a pivotal role in modulating several pathways of the immune response. Furthermore, manipulation of the L(pro) coding region may serve as a viable strategy to derive live attenuated strains with potential for development as effective vaccines against foot-and-mouth disease. C1 [Segundo, Fayna Diaz-San; Weiss, Marcelo; Perez-Martin, Eva; Dias, Camila C.; Grubman, Marvin J.; de los Santos, Teresa] ARS, Plum Isl Anim Dis Ctr, N Atlantic Area, USDA, Greenport, NY USA. [Segundo, Fayna Diaz-San; Weiss, Marcelo; Perez-Martin, Eva; Dias, Camila C.] Oak Ridge Inst Sci & Educ, Plum Isl Anim Dis Ctr, Res Participat Program, Oak Ridge, TN USA. RP de los Santos, T (reprint author), ARS, Plum Isl Anim Dis Ctr, N Atlantic Area, USDA, Greenport, NY USA. EM teresa.delossantos@ars.usda.gov RI Weiss, Marcelo/I-1274-2012 OI Weiss, Marcelo/0000-0001-7902-3210 FU U.S. Department of Energy; U.S. Department of Agriculture; CRIS [1940-32000-052-00D]; ARS; USDA; National Pork Board [11-005] FX This research was supported in part by the Plum Island Animal Disease Research Participation Program, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and the U. S. Department of Agriculture (appointment of Fayna Diaz-San Segundo, Marcelo Weiss, and Camila C. Dias), by CRIS project number 1940-32000-052-00D, ARS, USDA (Teresa de los Santos and Marvin J. Grubman), and by National Pork Board grant number 11-005 (Teresa de los Santos, Fayna Diaz-San Segundo, and Marvin J. Grubman). NR 75 TC 7 Z9 12 U1 0 U2 2 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 FEB PY 2012 VL 86 IS 3 BP 1316 EP 1327 DI 10.1128/JVI.05941-11 PG 12 WC Virology SC Virology GA 879CT UT WOS:000299308000004 PM 22114339 ER PT J AU Mehle, A Dugan, VG Taubenberger, JK Doudna, JA AF Mehle, Andrew Dugan, Vivien G. Taubenberger, Jeffery K. Doudna, Jennifer A. TI Reassortment and Mutation of the Avian Influenza Virus Polymerase PA Subunit Overcome Species Barriers SO JOURNAL OF VIROLOGY LA English DT Article ID SWINE-ORIGIN H1N1; A VIRUSES; MOLECULAR-BASIS; RNA-POLYMERASE; HIGH VIRULENCE; PANDEMIC H1N1; AMINO-ACID; HOST-RANGE; GENETIC COMPATIBILITY; CRYSTAL-STRUCTURE AB The emergence of new pandemic influenza A viruses requires overcoming barriers to cross-species transmission as viruses move from animal reservoirs into humans. This complicated process is driven by both individual gene mutations and genome reassortments. The viral polymerase complex, composed of the proteins PB1, PB2, and PA, is a major factor controlling host adaptation, and reassortment events involving polymerase gene segments occurred with past pandemic viruses. Here we investigate the ability of polymerase reassortment to restore the activity of an avian influenza virus polymerase that is normally impaired in human cells. Our data show that the substitution of human-origin PA subunits into an avian influenza virus polymerase alleviates restriction in human cells and increases polymerase activity in vitro. Reassortants with 2009 pandemic H1N1 PA proteins were the most active. Mutational analyses demonstrated that the majority of the enhancing activity in human PA results from a threonine-to-serine change at residue 552. Reassortant viruses with avian polymerases and human PA subunits, or simply the T552S mutation, displayed faster replication kinetics in culture and increased pathogenicity in mice compared to those containing a wholly avian polymerase complex. Thus, the acquisition of a human PA subunit, or the signature T552S mutation, is a potential mechanism to overcome the species-specific restriction of avian polymerases and increase virus replication. Our data suggest that the human, avian, swine, and 2009 H1N1-like viruses that are currently cocirculating in pig populations set the stage for PA reassortments with the potential to generate novel viruses that could possess expanded tropism and enhanced pathogenicity. C1 [Mehle, Andrew; Doudna, Jennifer A.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Doudna, Jennifer A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Dugan, Vivien G.; Taubenberger, Jeffery K.] NIAID, Viral Pathogenesis & Evolut Sect, Infect Dis Lab, NIH, Bethesda, MD 20892 USA. [Doudna, Jennifer A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Mehle, A (reprint author), Univ Wisconsin, Dept Med Microbiol & Immunol, Madison, WI 53706 USA. EM amehle@wisc.edu FU National Institute of General Medical Sciences [K99GM088484]; NIH; NIAID FX This work was supported in part by National Institute of General Medical Sciences grant K99GM088484 (to A.M.) and the Intramural Research Program of the NIH and the NIAID (to J.K.T.). NR 54 TC 48 Z9 49 U1 2 U2 10 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 FEB PY 2012 VL 86 IS 3 BP 1750 EP 1757 DI 10.1128/JVI.06203-11 PG 8 WC Virology SC Virology GA 879CT UT WOS:000299308000041 PM 22090127 ER PT J AU Apetrei, C Sumpter, B Souquiere, S Chahroudi, A Makuwa, M Reed, P Ribeiro, RM Pandrea, I Roques, P Silvestri, G AF Apetrei, Cristian Sumpter, Beth Souquiere, Sandrine Chahroudi, Ann Makuwa, Maria Reed, Patricia Ribeiro, Ruy M. Pandrea, Ivona Roques, Pierre Silvestri, Guido TI Immunovirological Analyses of Chronically Simian Immunodeficiency Virus SIVmnd-1- and SIVmnd-2-Infected Mandrills (Mandrillus sphinx) (vol 85, pg 13077, 2011) SO JOURNAL OF VIROLOGY LA English DT Correction C1 [Apetrei, Cristian] Univ Pittsburgh, Ctr Vaccine Res, Dept Microbiol & Mol Genet, Sch Med, Pittsburgh, PA 15261 USA. Univ Pittsburgh, Sch Med, Dept Pathol, Pittsburgh, PA 15261 USA. Emory Univ, Sch Med, Dept Pathol & Lab Med, Atlanta, GA 30329 USA. Emory Univ, Sch Med, Emory Vaccine Ctr, Atlanta, GA 30329 USA. Yerkes Natl Primate Res Ctr, Atlanta, GA 30329 USA. Int Ctr Med Res, Franceville, Gabon. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. CEA, Inst Emerging Dis & Innovat Therapies, Fontenay Aux Roses, France. Univ Paris 11, Fontenay Aux Roses, France. RP Apetrei, C (reprint author), Univ Pittsburgh, Ctr Vaccine Res, Dept Microbiol & Mol Genet, Sch Med, Pittsburgh, PA 15261 USA. RI Roques, Pierre/M-2212-2013; OI Roques, Pierre/0000-0003-1825-1054; Ribeiro, Ruy/0000-0002-3988-8241 NR 1 TC 0 Z9 0 U1 0 U2 6 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 FEB PY 2012 VL 86 IS 3 BP 1900 EP 1900 DI 10.1128/JVI.07026-11 PG 1 WC Virology SC Virology GA 879CT UT WOS:000299308000060 ER PT J AU Pantelides, ST Puzyrev, Y Shen, X Roy, T DasGupta, S Tuttle, BR Fleetwood, DM Schrimpf, RD AF Pantelides, Sokrates T. Puzyrev, Yevgeniy Shen, Xiao Roy, Tania DasGupta, Sandeepan Tuttle, Blair R. Fleetwood, Daniel M. Schrimpf, Ronald D. TI Reliability of III-V devices - The defects that cause the trouble SO MICROELECTRONIC ENGINEERING LA English DT Article; Proceedings Paper CT 4th International Conference on Micro-Nanoelectronics, Nanotechnology and MEMs CY DEC 12-15, 2010 CL Athens, GREECE DE Degradation; Hot electrons ID TRANSISTORS; GAN AB Degradation of electronic devices by hot electrons is universally attributed to the generation of defects, but the mechanisms for defect generation and the specific nature of the pertinent defects are not known for most systems. Here we describe three recent case studies in III-V high-electron-mobility transistors that illustrate the power of combining density functional calculations and experimental data to identify the pertinent defects and associated degradation mechanisms. In all cases, benign pre-existing defects are either depassivated (irreversible degradation) or transformed to a metastable state (reversible degradation). (C) 2011 Elsevier B.V. All rights reserved. C1 [Pantelides, Sokrates T.; Puzyrev, Yevgeniy; Shen, Xiao; Tuttle, Blair R.; Fleetwood, Daniel M.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Pantelides, Sokrates T.; Roy, Tania; DasGupta, Sandeepan; Fleetwood, Daniel M.; Schrimpf, Ronald D.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA. [Pantelides, Sokrates T.] Oak Ridge Natl Lab, Oak Ridge, TN 37235 USA. RP Pantelides, ST (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. EM pantelides@vanderbilt.edu RI Schrimpf, Ronald/L-5549-2013; Roy, Tania/M-6540-2015 OI Schrimpf, Ronald/0000-0001-7419-2701; NR 14 TC 10 Z9 10 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-9317 J9 MICROELECTRON ENG JI Microelectron. Eng. PD FEB PY 2012 VL 90 BP 3 EP 8 DI 10.1016/j.mee.2011.04.019 PG 6 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA 879WN UT WOS:000299363700002 ER PT J AU Tisserant, E Kohler, A Dozolme-Seddas, P Balestrini, R Benabdellah, K Colard, A Croll, D Da Silva, C Gomez, SK Koul, R Ferrol, N Fiorilli, V Formey, D Franken, P Helber, N Hijri, M Lanfranco, L Lindquist, E Liu, Y Malbreil, M Morin, E Poulain, J Shapiro, H van Tuinen, D Waschke, A Azcon-Aguilar, C Becard, G Bonfante, P Harrison, MJ Kuster, H Lammers, P Paszkowski, U Requena, N Rensing, SA Roux, C Sanders, IR Shachar-Hill, Y Tuskan, G Young, JPW Gianinazzi-Pearson, V Martin, F AF Tisserant, E. Kohler, A. Dozolme-Seddas, P. Balestrini, R. Benabdellah, K. Colard, A. Croll, D. Da Silva, C. Gomez, S. K. Koul, R. Ferrol, N. Fiorilli, V. Formey, D. Franken, Ph Helber, N. Hijri, M. Lanfranco, L. Lindquist, E. Liu, Y. Malbreil, M. Morin, E. Poulain, J. Shapiro, H. van Tuinen, D. Waschke, A. Azcon-Aguilar, C. Becard, G. Bonfante, P. Harrison, M. J. Kuester, H. Lammers, P. Paszkowski, U. Requena, N. Rensing, S. A. Roux, C. Sanders, I. R. Shachar-Hill, Y. Tuskan, G. Young, J. P. W. Gianinazzi-Pearson, V. Martin, F. TI The transcriptome of the arbuscular mycorrhizal fungus Glomus intraradices (DAOM 197198) reveals functional tradeoffs in an obligate symbiont SO NEW PHYTOLOGIST LA English DT Article DE Glomeromycota; Glomus; meiosis and recombination genes; mycorrhiza; small secreted proteins; symbiosis; transcript profiling ID PHOSPHATE TRANSPORTER GENES; MEDICAGO-TRUNCATULA; AMMONIUM TRANSPORTER; EXPRESSION PROFILES; NITROGEN TRANSFER; LACCARIA-BICOLOR; LOTUS-JAPONICUS; CELL-WALL; PLANT; GENOME AB The arbuscular mycorrhizal symbiosis is arguably the most ecologically important eukaryotic symbiosis, yet it is poorly understood at the molecular level. To provide novel insights into the molecular basis of symbiosis-associated traits, we report the first genome-wide analysis of the transcriptome from Glomus intraradices DAOM 197198. We generated a set of 25 906 nonredundant virtual transcripts (NRVTs) transcribed in germinated spores, extraradical mycelium and symbiotic roots using Sanger and 454 sequencing. NRVTs were used to construct an oligoarray for investigating gene expression. We identified transcripts coding for the meiotic recombination machinery, as well as meiosis-specific proteins, suggesting that the lack of a known sexual cycle in G.intraradices is not a result of major deletions of genes essential for sexual reproduction and meiosis. Induced expression of genes encoding membrane transporters and small secreted proteins in intraradical mycelium, together with the lack of expression of hydrolytic enzymes acting on plant cell wall polysaccharides, are all features of G.intraradices that are shared with ectomycorrhizal symbionts and obligate biotrophic pathogens. Our results illuminate the genetic basis of symbiosis-related traits of the most ancient lineage of plant biotrophs, advancing future research on these agriculturally and ecologically important symbionts. C1 [Tisserant, E.; Kohler, A.; Morin, E.; Martin, F.] Univ Henri Poincare, Ctr Nancy, INRA, UMR 1136, F-54280 Champenoux, France. [Dozolme-Seddas, P.; Liu, Y.; van Tuinen, D.; Gianinazzi-Pearson, V.] Burgundy Univ Plante Microbe Environm, INRA CMSE, UMR INRA CNRS 1088 5184, F-21065 Dijon, France. [Balestrini, R.; Fiorilli, V.; Lanfranco, L.] Univ Turin, Ist Protez Piante, CNR, Sez Torino, I-10125 Turin, Italy. [Balestrini, R.; Fiorilli, V.; Lanfranco, L.] Univ Turin, Dipartimento Biol Vegetale, I-10125 Turin, Italy. [Benabdellah, K.; Ferrol, N.; Azcon-Aguilar, C.] CSIC, Estac Expt Zaidi, Dept Microbiol Suelo & Sistemas Simbiot, E-18008 Granada, Spain. [Colard, A.; Croll, D.] Univ Lausanne, Dept Ecol & Evolut, CH-1015 Lausanne, Switzerland. [Colard, A.; Croll, D.] ETH, CH-8092 Zurich, Switzerland. [Da Silva, C.; Poulain, J.] CEA, IG, F-91057 Evry, France. [Gomez, S. K.; Harrison, M. J.] Boyce Thompson Inst Plant Res, Ithaca, NY 14853 USA. [Koul, R.; Lammers, P.] New Mexico State Univ, Dept 3MLS, Dept Chem & Biochem, Las Cruces, NM 88003 USA. [Formey, D.; Rensing, S. A.] Univ Toulouse, F-31326 Castanet Tolosan, France. [Formey, D.; Rensing, S. A.] CNRS, UPS, Lab Rech Sci Vegetales, UMR 5546, F-31326 Castanet Tolosan, France. [Franken, Ph; Waschke, A.] Leibniz Inst Vegetable & Ornamental Crops, Dept Plant Nutr, D-14979 Grossbeeren, Germany. [Helber, N.; Requena, N.] Karlsruhe Inst Technol, Inst Bot, D-76187 Karlsruhe, Germany. [Hijri, M.] Univ Montreal, Inst Rech Biol Vegetale, Dept Sci Biol, Montreal, PQ H1X 2B2, Canada. [Shapiro, H.] Joint Genome Inst, Walnut Creek, CA 94598 USA. [Kuester, H.] Leibniz Univ Hannover, Inst Pflanzengenet, D-30419 Hannover, Germany. [Paszkowski, U.] Univ Lausanne, Dept Biol Mol Vegetale, CH-1015 Lausanne, Switzerland. [Rensing, S. A.] Univ Freiburg, BIOSS Ctr Biol Signalling Studies, Freiburg Initiat Syst Biol, D-79104 Freiburg, Germany. [Rensing, S. A.] Univ Freiburg, Fac Biol, D-79104 Freiburg, Germany. [Shachar-Hill, Y.] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. [Tuskan, G.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Young, J. P. W.] Univ York, Dept Biol, York YO10 5DD, N Yorkshire, England. RP Martin, F (reprint author), Univ Henri Poincare, Ctr Nancy, INRA, UMR 1136, F-54280 Champenoux, France. EM fmartin@nancy.inra.fr RI Lanfranco, Luisa/F-8537-2013; Formey, Damien/L-8384-2013; Croll, Daniel/B-4933-2008; Young, Peter/C-1446-2012; Benabdellah, karim/L-4569-2014; Ferrol, Nuria/H-5330-2015; Azcon, Concepcion/H-5873-2015; Kuster, Helge/A-4487-2013; Shachar-Hill, Yair/B-6165-2013; Benabdellah, karim/F-4209-2016; Requena Sanchez, Natalia/I-4738-2016; Tuskan, Gerald/A-6225-2011; Balestrini, Raffaella/Q-1106-2015 OI Lanfranco, Luisa/0000-0002-3961-2552; Bonfante, Paola/0000-0003-3576-8530; Hijri, Mohamed/0000-0001-6112-8372; Young, Peter/0000-0001-5259-4830; Benabdellah, karim/0000-0003-4673-2111; Ferrol, Nuria/0000-0001-7963-3537; Azcon, Concepcion/0000-0003-3041-8566; Shachar-Hill, Yair/0000-0001-8793-5084; Benabdellah, karim/0000-0003-2790-562X; Requena Sanchez, Natalia/0000-0001-5406-0015; Tuskan, Gerald/0000-0003-0106-1289; Balestrini, Raffaella/0000-0001-7958-7681 FU Region Lorraine; European Commission ENERGYPOPLAR [FP7-211917]; Education Ministry of China; Network of Excellence EVOLTREE [FP6-016322]; US Department of Energy (DOE) - Oak Ridge National Laboratory Scientific Focus Area for Genomics Foundational Sciences; German Research Foundation; Regional Project Converging Technologies-BI-OBIT; Spanish Ministry of Science and Education [AGL2009-08868]; US National Science Foundation [IOS-0842720]; DOE [DE-AC05-00OR22725]; INRA; Genoscope; New Mexico University; Michigan State University; Ministry of Food of the FRG; Ministry of Agriculture of the FRG; Ministry of Consumer Protection of the FRG; Brandenburg State; Thuringen State FX E.T. is supported by a scholarship from the Region Lorraine and the European Commission ENERGYPOPLAR project (FP7-211917), and Y.L. by a scholarship from the Education Ministry of China. This work was supported by the Network of Excellence EVOLTREE (FP6-016322) and the US Department of Energy (DOE) - Oak Ridge National Laboratory Scientific Focus Area for Genomics Foundational Sciences (grant to F.M.). Ph.F. was supported by the German Research Foundation and the Ministries of Food, Agriculture, and Consumer Protection of the FRG and the Brandenburg and Thuringen States. P.B. received funding from the Regional Project Converging Technologies-BI-OBIT, and N.F. and C.A.A. from the project AGL2009-08868 from the Spanish Ministry of Science and Education. Support for development of mycorrhizal M. truncatula root materials was provided by the US National Science Foundation (grant IOS-0842720 to M.J.H.). A portion of the writing of this manuscript was sponsored by the DOE Genomic Science Program (DE-AC05-00OR22725). EST sequencing was funded by INRA, Genoscope, New Mexico University, and Michigan State University. The genomic and Sanger EST sequencing was conducted by JGI (DE-AC02-05CH11231). We would like to thank Nicolas Corradi for helpful discussions on the meiotic genes, and three anonymous referees for their insightful comments and suggestions. NR 80 TC 110 Z9 115 U1 9 U2 176 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1469-8137 J9 NEW PHYTOL JI New Phytol. PD FEB PY 2012 VL 193 IS 3 BP 755 EP 769 DI 10.1111/j.1469-8137.2011.03948.x PG 15 WC Plant Sciences SC Plant Sciences GA 874UZ UT WOS:000298984900021 PM 22092242 ER PT J AU Cao, L Bryant, DA Schepmoes, AA Vogl, K Smith, RD Lipton, MS Callister, SJ AF Cao, Li Bryant, Donald A. Schepmoes, Athena A. Vogl, Kajetan Smith, Richard D. Lipton, Mary S. Callister, Stephen J. TI Comparison of Chloroflexus aurantiacus strain J-10-fl proteomes of cells grown chemoheterotrophically and photoheterotrophically SO PHOTOSYNTHESIS RESEARCH LA English DT Article DE Chloroflexus aurantiacus J-10-fl; Comparative proteomics; Photosynthesis; Liquid chromatography-mass spectrometry ID AMINO-ACID-SEQUENCE; ANOXYGENIC PHOTOTROPHIC BACTERIA; AUTOTROPHIC CO2 FIXATION; GREEN SULFUR BACTERIA; BLUE COPPER PROTEINS; PHOTOSYNTHETIC BACTERIUM; ACCURATE MASS; 3-HYDROXYPROPIONATE CYCLE; SUBCELLULAR-LOCALIZATION; CYTOPLASMIC MEMBRANE AB Chloroflexus aurantiacus J-10-fl is a thermophilic green bacterium, a filamentous anoxygenic phototroph, and the model organism of the phylum Chloroflexi. We applied high-throughput, liquid chromatography-mass spectrometry in a global quantitative proteomics investigation of C. aurantiacus cells grown under oxic (chemoorganoheterotrophically) and anoxic (photoorganoheterotrophically) redox states. Our global analysis identified 13,524 high-confidence peptides that matched to 1,286 annotated proteins, 242 of which were either uniquely identified or significantly increased in abundance under photoheterotrophic culture condition. Fifty-four of the 242 proteins are previously characterized photosynthesis-related proteins, including chlorosome proteins, proteins involved in the bacteriochlorophyll biosynthesis, 3-hydroxypropionate (3-OHP) CO2 fixation pathway, and components of electron transport chains. The remaining 188 proteins have not previously been reported. Of these, five proteins were found to be encoded by genes from a novel operon and observed only in photoheterotrophically grown cells. These proteins candidates may prove useful in further deciphering the phototrophic physiology of C. aurantiacus and other filamentous anoxygenic phototrophs. C1 [Cao, Li; Schepmoes, Athena A.; Smith, Richard D.; Lipton, Mary S.; Callister, Stephen J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Bryant, Donald A.; Vogl, Kajetan] Penn State Univ, Dept Biochem & Mol Biol, University Pk, PA 16802 USA. RP Callister, SJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM stephen.callister@pnnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU U.S. Department of Energy [DE-AC05-76RL01830]; Genomic Science Program; U. S. Department of Energy Office of Biological and Environmental Research (DOE/BER); DOE [DE-ACO5-76RLO 1830]; DOE Office of Basic Energy Sciences [DE-FG02-94ER20137] FX This manuscript has been authored by Battelle Memorial Institute under Contract No. DE-AC05-76RL01830 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.; The research described in this article was funded by the Genomic Science Program sponsored by the U. S. Department of Energy Office of Biological and Environmental Research (DOE/BER) and performed in the Environmental Molecular Sciences Laboratory, a DOE/BER national scientific user facility located at Pacific Northwest National Laboratory (PNNL) in Richland, Washington. PNNL is a multi-program national laboratory operated by Battelle for the DOE under Contract DE-ACO5-76RLO 1830. D. A. B. additionally acknowledges support from DOE Office of Basic Energy Sciences (DE-FG02-94ER20137). The authors wish to acknowledge Dr. Yusuke Tsukatani for helpful discussion. Mass spectrometry data used in this study can be requested at http://omics.pnl.gov. NR 61 TC 9 Z9 11 U1 2 U2 13 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0166-8595 EI 1573-5079 J9 PHOTOSYNTH RES JI Photosynth. Res. PD FEB PY 2012 VL 110 IS 3 BP 153 EP 168 DI 10.1007/s11120-011-9711-8 PG 16 WC Plant Sciences SC Plant Sciences GA 881SC UT WOS:000299507400001 PM 22249883 ER PT J AU Jana, S Hovanski, Y AF Jana, S. Hovanski, Y. TI Fatigue behaviour of magnesium to steel dissimilar friction stir lap joints SO SCIENCE AND TECHNOLOGY OF WELDING AND JOINING LA English DT Article DE Friction stir; Mg alloy; Steel; Fatigue ID TENSILE BEHAVIOR; ALLOY; AZ31; MICROSTRUCTURE; TEXTURE AB A short study has been conducted to assess the performance of friction stir welded Mg/steel lap joints under dynamic loads. The major mode of failure was found to be top Mg sheet fracture. Crack initiation is noted to have taken place at the Mg/steel interface. The fatigue life of the joints is found to be significantly different than the fatigue data of the Mg alloy obtained from the literature. The reasons behind such a difference have been examined in this work. C1 [Jana, S.; Hovanski, Y.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Jana, S (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM saumyadeep.jana@pnnl.gov FU US Department of Energy [DE-AC05-76RL01830] FX This manuscript has been authored by Battelle Memorial Institute, Pacific Northwest Division, under contract no. DE-AC05-76RL01830 with the US Department of Energy. The publisher, by accepting the article for publication, acknowledges that the US Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US Government purposes. NR 18 TC 9 Z9 9 U1 5 U2 24 PU MANEY PUBLISHING PI LEEDS PA STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND SN 1362-1718 J9 SCI TECHNOL WELD JOI JI Sci. Technol. Weld. Join. PD FEB PY 2012 VL 17 IS 2 BP 141 EP 145 DI 10.1179/1362171811Y.0000000083 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 880RS UT WOS:000299425300010 ER PT J AU Xie, YM Williams, NG Tolic, A Chrisler, WB Teeguarden, JG Maddux, BLS Pounds, JG Laskin, A Orr, G AF Xie, Yumei Williams, Nolann G. Tolic, Ana Chrisler, William B. Teeguarden, Justin G. Maddux, Bettye L. S. Pounds, Joel G. Laskin, Alexander Orr, Galya TI Aerosolized ZnO Nanoparticles Induce Toxicity in Alveolar Type II Epithelial Cells at the Air-Liquid Interface SO TOXICOLOGICAL SCIENCES LA English DT Article DE ZnO nanoparticles; Zn(2+); air-liquid interface; aerosol exposures; toxicity; alveolar epithelial cells ID ZINC-OXIDE NANOPARTICLE; WALLED CARBON NANOTUBES; IN-VITRO; METAL-OXIDE; PSEUDOKIRCHNERIELLA-SUBCAPITATA; ULTRAFINE PARTICLES; PULMONARY; CYTOTOXICITY; DOSIMETRY; NANOMATERIALS AB The majority of in vitro studies characterizing the impact of engineered nanoparticles (NPs) on cells that line the respiratory tract were conducted in cells exposed to NPs in suspension. This approach introduces processes that are unlikely to occur during inhaled NP exposures in vivo, such as the shedding of toxic doses of dissolved ions. ZnO NPs are used extensively and pose significant sources for human exposure. Exposures to airborne ZnO NPs can induce adverse effects, but the relevance of the dissolved Zn(2+) to the observed effects in vivo is still unclear. Our goal was to mimic in vivo exposures to airborne NPs and decipher the contribution of the intact NP from the contribution of the dissolved ions to airborne ZnO NP toxicity. We established the exposure of alveolar type II epithelial cells to aerosolized NPs at the air-liquid interface (ALI) and compared the impact of aerosolized ZnO NPs and NPs in suspension at the same cellular doses, measured as the number of particles per cell. By evaluating membrane integrity and cell viability 6 and 24 h post-exposure, we found that aerosolized NPs induced toxicity at the ALI at doses that were in the same order of magnitude as doses required to induce toxicity in submersed cultures. In addition, distinct patterns of oxidative stress were observed in the two exposure systems. These observations unravel the ability of airborne ZnO NPs to induce toxicity without the contribution of dissolved Zn(2+) and suggest distinct mechanisms at the ALI and in submersed cultures. C1 [Xie, Yumei; Williams, Nolann G.; Tolic, Ana; Laskin, Alexander; Orr, Galya] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Chrisler, William B.; Teeguarden, Justin G.; Pounds, Joel G.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Maddux, Bettye L. S.] Univ Oregon, Inst Mat Sci, Eugene, OR 97403 USA. RP Orr, G (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999,MS K8-88, Richland, WA 99352 USA. EM galya.orr@pnnl.gov RI 李, 涵/B-4995-2012; Laskin, Alexander/I-2574-2012; Maddux, Bettye/D-1269-2009; OI Laskin, Alexander/0000-0002-7836-8417; Maddux, Bettye/0000-0001-5890-5249; Teeguarden, Justin/0000-0003-3817-4391; Pounds, Joel/0000-0002-6616-1566 FU National Institute of Environmental Health Sciences [1RC2ES018786-01]; Air Force Research Laboratory/Oregon Nanoscience and Microtechnologies Institute/Safer Nanomaterials & Nanomanufacturing Initiative [FA8650-05-1-5041]; Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory FX National Institute of Environmental Health Sciences (1RC2ES018786-01 to G.O.); Air Force Research Laboratory/Oregon Nanoscience and Microtechnologies Institute/Safer Nanomaterials & Nanomanufacturing Initiative (FA8650-05-1-5041 to B. L. S. M and G.O).; We thank Dr Zink at the University of California, Los Angeles, for providing the ZnO NPs as part of the National Institute of Environmental Health Science Nanotechnology Environmental Health and Safety consortium effort. The research was performed using 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. NR 45 TC 28 Z9 30 U1 2 U2 39 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1096-6080 J9 TOXICOL SCI JI Toxicol. Sci. PD FEB PY 2012 VL 125 IS 2 BP 450 EP 461 DI 10.1093/toxsci/kfr251 PG 12 WC Toxicology SC Toxicology GA 879QD UT WOS:000299346000013 PM 21964423 ER PT J AU Houseworth, JE AF Houseworth, J. E. TI Matched Boundary Extrapolation Solutions for CO2 Well-Injection into a Saline Aquifer SO TRANSPORT IN POROUS MEDIA LA English DT Article DE CO2 sequestration; Vertical equilibrium; Gravity segregation; Analytical solution ID STORAGE AB The injection of supercritical CO2 through wells into deep brine reservoirs is a topic of interest for geologic carbon sequestration. The injected CO2 is predominantly immiscible with the brine and its low density relative to brine leads to strong buoyancy effects. The displacement of brine by CO2 in general is a multidimensional, complex nonlinear problem that requires numerical methods to solve. The approximations of vertical equilibrium and complete gravity segregation (sharp interface) have been introduced to reduce the complexity and dimensionality of the problem. Furthermore, for the radial displacement process considered here, the problem can be formulated in terms of a similarity variable that reduces spatial and temporal dependencies to a single variable. However, the resulting ordinary differential equation is still nonlinear and exact solutions are not available. The existing analytical solutions are approximations limited to certain parameter ranges that become inaccurate over a large portion of the parameter space. Here, I use a matched boundary extrapolation method to provide much greater accuracy for analytical/semi-analytical approximations over the full parameter range. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Houseworth, JE (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM jehouseworth@lbl.gov RI Houseworth, James/D-8749-2015 FU Office of Sequestration, Hydrogen, and Clean Coal Fuels, National Risk Assessment Partnership of the U.S. Department of Energy [AA1505000, DE-AC02-05CH11231] FX The initial draft of this article was carefully reviewed by Drs. Abdullah Cihan and Dan Hawkes. This study was supported by the Assistant Secretary for Fossil Energy, Office of Sequestration, Hydrogen, and Clean Coal Fuels, National Risk Assessment Partnership, Project No. AA1505000, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 11 TC 7 Z9 7 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0169-3913 J9 TRANSPORT POROUS MED JI Transp. Porous Media PD FEB PY 2012 VL 91 IS 3 BP 813 EP 831 DI 10.1007/s11242-011-9874-y PG 19 WC Engineering, Chemical SC Engineering GA 879KL UT WOS:000299328000005 ER PT J AU Mukhopadhyay, S Yang, SY Yeh, HD AF Mukhopadhyay, Sumit Yang, Shao-Yang Yeh, Hund-Der TI Pressure Buildup During Supercritical Carbon Dioxide Injection From a Partially Penetrating Borehole into Gas Reservoirs SO TRANSPORT IN POROUS MEDIA LA English DT Article DE Carbon dioxide; Storage; Sequestration; Pressure buildup; Supercritical; Analytical solution; Gas reservoir ID DEEP SALINE AQUIFERS; CLOSED-FORM SOLUTION; CO2 INJECTION; GEOLOGICAL MEDIA; CLIMATE-CHANGE; POROUS-MEDIA; STORAGE; SEQUESTRATION; WELL; FLOW AB Injecting CO2 into a subsurface formation causes a buildup of pressure in the vicinity of the injection well. While a large injection rate can reduce the cost associated with injection, an indefinitely large injection rate can result in excessive formation damage. To obtain an optimal injection rate without exceeding the safe pressure limits, one will like to have some knowledge of the transient pressure buildup characteristics resulting from a particular injection rate. While elaborate numerical simulations can provide reliable pressure buildup predictions, they require extensive knowledge about the formation, which is normally not available at the start of an injection process. To alleviate this problem, using some simplifying assumptions, we have developed a solution to predict the transient buildup of pressure resulting from injection of supercritical carbon dioxide from a partially penetrating well into a gas reservoir. The solution in space and time is first obtained in the Fourier-Laplace transform space, and then inverted back into real space (in cylindrical coordinates) and time. We use the solution to study pressure transient characteristics for different formation permeabilities and anisotropy ratios. Results obtained using the solution compared well with those from numerical simulations. C1 [Mukhopadhyay, Sumit] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Yang, Shao-Yang] Vanung Univ, Dept Civil Engn, Chungli, Taiwan. [Yeh, Hund-Der] Natl Chiao Tung Univ, Inst Environm Engn, Hsinchu, Taiwan. RP Mukhopadhyay, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM SMukhopadhyay@lbl.gov RI Yeh, Hund-Der/A-6432-2010 FU U.S. Department of Energy [DE-AC02-05CH11231] FX The authors wish to thank the anonymous journal reviewers for their constructive suggestions for improving the quality of this article. This work was supported by the U.S. Department of Energy. The support is provided to Berkeley Lab through the U.S. Department of Energy Contract No. DE-AC02-05CH11231. 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. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of the United States Department of Energy or the Berkeley Lab. NR 39 TC 9 Z9 9 U1 0 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0169-3913 EI 1573-1634 J9 TRANSPORT POROUS MED JI Transp. Porous Media PD FEB PY 2012 VL 91 IS 3 BP 889 EP 911 DI 10.1007/s11242-011-9879-6 PG 23 WC Engineering, Chemical SC Engineering GA 879KL UT WOS:000299328000009 ER PT J AU Ye, X Yuan, SH Guo, H Chen, F Tuskan, GA Cheng, ZM AF Ye, Xia Yuan, Suhua Guo, Hong Chen, Feng Tuskan, Gerald A. Cheng, Zong-Ming TI Evolution and divergence in the coding and promoter regions of the Populus gene family encoding xyloglucan endotransglycosylase/hydrolases SO TREE GENETICS & GENOMES LA English DT Article DE Xyloglucan endotransglycosylase/ hydrolases (XTHs); Gene duplications and divergence; Gene expression; Populus; Arabidopsis ID CARBOHYDRATE-ACTIVE ENZYMES; AZUKI-BEAN EPICOTYLS; CELL-WALL; EXPRESSION ANALYSIS; ARABIDOPSIS; RICE; XTH; DIVERSITY; POPLAR; XET AB Xyloglucan endotransglycosylase/hydrolases (XTHs) are believed to modify the cell wall structure by cleaving a xyloglucan polymer and transferring the newly generated, potentially reducing, terminal to another xyloglucan. We report here the detailed analysis of 37 Populus trichocarpa XTH genes/proteins in their divergence in both the coding and 5' promoter regions. Our results show that the Populus XTH genes have experienced whole-genome and local duplications and pre- and post-speciation divergence. Genome-wide and segmental duplications seem to be dominant in subfamily I and III, while tandem duplication seems to be the major mechanism for the subfamily II expansion, which also has higher average ratios of K (a)/K (s) compared to those in subfamily I and III. There was a general lack of organ-specific gene expression. In contrast, the expression patterns in subfamily II varied in response to various hormone treatments, with II-A being up-regulated and II-B down-regulated after 2 h of hormone treatment. Expression for this subfamily was verified using the 1.5-kb PtXTH22 promoter that was fused with the GUS reporter gene and transformed into Arabidopsis. The PtXTH22 promoter contains auxin response element, ethylene insensitive 3-like factors, and brassinosteroid response cis-elements. Histochemical GUS staining of transgenic Arabidopsis seedlings confirmed that the PtXTH22 promoter was up-regulated by several hormones. C1 [Chen, Feng; Tuskan, Gerald A.; Cheng, Zong-Ming] Oak Ridge Natl Lab, Bioenergy Sci Ctr, Oak Ridge, TN 37831 USA. [Ye, Xia] Henan Agr Univ, Coll Hort, Zhengzhou, Henan, Peoples R China. [Ye, Xia; Yuan, Suhua; Chen, Feng; Cheng, Zong-Ming] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37996 USA. [Guo, Hong] Univ Tennessee, Dept Biochem Cellular & Mol Biol, Knoxville, TN 37996 USA. [Tuskan, Gerald A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Yuan, Suhua] Texas A&M Univ, Inst Plant Genom & Biotechnol, College Stn, TX 77843 USA. RP Cheng, ZM (reprint author), Oak Ridge Natl Lab, Bioenergy Sci Ctr, Oak Ridge, TN 37831 USA. EM zcheng@utk.edu RI Guo, Hong/E-6357-2010; Tuskan, Gerald/A-6225-2011 OI Tuskan, Gerald/0000-0003-0106-1289 FU Department of Energy-Bioenergy Center; Consortium for Plant Biotechnology Research, Inc.; Office of Biological and Environmental Research in the Department of Energy Office of Science FX This research was supported in part by a Department of Energy-Bioenergy Center grant and by the Consortium for Plant Biotechnology Research, Inc. The BioEnergy Science Center is a US Department of Energy-Bioenergy Research Center supported by the Office of Biological and Environmental Research in the Department of Energy Office of Science. NR 52 TC 5 Z9 5 U1 1 U2 15 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1614-2942 J9 TREE GENET GENOMES JI Tree Genet. Genomes PD FEB PY 2012 VL 8 IS 1 BP 177 EP 194 DI 10.1007/s11295-011-0431-1 PG 18 WC Forestry; Genetics & Heredity; Horticulture SC Forestry; Genetics & Heredity; Agriculture GA 881SH UT WOS:000299508000015 ER PT J AU Verhoef, L Williams, KP Kroneman, A Sobral, B van Pelt, W Koopmans, M AF Verhoef, Linda Williams, Kelly P. Kroneman, Annelies Sobral, Bruno van Pelt, Wilfrid Koopmans, Marion CA FBVE Network TI Selection of a phylogenetically informative region of the norovirus genome for outbreak linkage SO VIRUS GENES LA English DT Article DE Norovirus; Nucleotide sequence data; Surveillance; Outbreaks; Outbreak linkage ID REVERSE TRANSCRIPTION-PCR; GENOGROUP-II NOROVIRUSES; NORWALK-LIKE VIRUSES; IN-VIVO; GASTROENTERITIS; EVOLUTION; DISEASE; NETHERLANDS; SEQUENCES; COMMUNITY AB The recognition of a common source norovirus outbreak is supported by finding identical norovirus sequences in patients. Norovirus sequencing has been established in many (national) public health laboratories and academic centers, but often partial and different genome sequences are used. Therefore, agreement on a target sequence of sufficient diversity to resolve links between outbreaks is crucial. Although harmonization of laboratory methods is one of the keystone activities of networks that have the aim to identify common source norovirus outbreaks, this has proven difficult to accomplish, particularly in the international context. Here, we aimed at providing a method enabling identification of the genomic region informative of a common source norovirus outbreak by bio-informatic tools. The data set of 502 unique full length capsid gene sequences available from the public domain, combined with epidemiological data including linkage information was used to build over 3,000 maximum likelihood (ML) trees for different sequence lengths and regions. All ML trees were evaluated for robustness and specificity of clustering of known linked norovirus outbreaks against the background diversity of strains. Great differences were seen in the robustness of commonly used PCR targets for cluster detection. The capsid gene region spanning nucleotides 900-1,400 was identified as the region optimally substituting for the full length capsid region. Reliability of this approach depends on the quality of the background data set, and we recommend periodic reassessment of this growing data set. The approach may be applicable to multiple sequence-based data sets of other pathogens. C1 [Verhoef, Linda; Kroneman, Annelies; van Pelt, Wilfrid; Koopmans, Marion] Natl Inst Publ Hlth & Environm RIVM, NL-3720 BA Bilthoven, Netherlands. [Williams, Kelly P.; Sobral, Bruno] Virginia Tech, Virginia BioInformat Inst, Blacksburg, VA USA. [Williams, Kelly P.] Sandia Natl Labs, Livermore, CA USA. RP Verhoef, L (reprint author), Natl Inst Publ Hlth & Environm RIVM, Postbak 22,POB 1, NL-3720 BA Bilthoven, Netherlands. EM linda.verhoef@rivm.nl RI Ruggeri, Franco/B-5707-2013; DI BARTOLO, ILARIA/C-9947-2015; Verhoef, Linda/P-9066-2015 OI DI BARTOLO, ILARIA/0000-0001-5674-1332; Verhoef, Linda/0000-0001-5988-8946 FU Dutch Food and Consumer Product Safety Authority; European Commission [SP22-CT-2004-502571]; SG SANCO (DIVINE-net) [2003213] FX This study was supported by the Dutch Food and Consumer Product Safety Authority, the European Commission DG Research Quality of Life Program, 6th Framework (EVENT, SP22-CT-2004-502571) and SG SANCO (DIVINE-net, 2003213). We thank Adam Meijer, Ingeborg Boxman, Erwin Duizer, Harry Vennema and Marijn van Ballegooijen for many constructive discussions that helped us to improve the manuscript. NR 38 TC 11 Z9 11 U1 0 U2 4 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0920-8569 J9 VIRUS GENES JI Virus Genes PD FEB PY 2012 VL 44 IS 1 BP 8 EP 18 DI 10.1007/s11262-011-0673-x PG 11 WC Genetics & Heredity; Virology SC Genetics & Heredity; Virology GA 881TC UT WOS:000299510900002 PM 21960432 ER PT J AU Burnside, WR Brown, JH Burger, O Hamilton, MJ Moses, M Bettencourt, LMA AF Burnside, William R. Brown, James H. Burger, Oskar Hamilton, Marcus J. Moses, Melanie Bettencourt, Luis M. A. TI Human macroecology: linking pattern and process in big-picture human ecology SO BIOLOGICAL REVIEWS LA English DT Article DE macroecology; human; scale; metabolism; society; energy; diversity; network; industrial; hunter-gatherer ID LATITUDINAL DIVERSITY GRADIENT; EMERGING INFECTIOUS-DISEASES; INCREASING RETURNS; ENVIRONMENTAL DETERMINANTS; BIOLOGICAL DIVERSITY; BEHAVIORAL ECOLOGY; SPECIES RICHNESS; GROWTH-RATES; EVOLUTION; CITIES AB Humans have a dual nature. We are subject to the same natural laws and forces as other species yet dominate global ecology and exhibit enormous variation in energy use, cultural diversity, and apparent social organization. We suggest scientists tackle these challenges with a macroecological approachusing comparative statistical techniques to identify deep patterns of variation in large datasets and to test for causal mechanisms. We show the power of a metabolic perspective for interpreting these patterns and suggesting possible underlying mechanisms, one that focuses on the exchange of energy and materials within and among human societies and with the biophysical environment. Examples on human foraging ecology, life history, space use, population structure, disease ecology, cultural and linguistic diversity patterns, and industrial and urban systems showcase the power and promise of this approach. C1 [Burnside, William R.; Brown, James H.; Hamilton, Marcus J.; Moses, Melanie] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. [Brown, James H.; Hamilton, Marcus J.; Bettencourt, Luis M. A.] Santa Fe Inst, Santa Fe, NM 87501 USA. [Burger, Oskar] Max Planck Inst Demog Res, D-18057 Rostock, Germany. [Hamilton, Marcus J.] Univ New Mexico, Dept Anthropol, Albuquerque, NM 87131 USA. [Moses, Melanie] Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA. [Bettencourt, Luis M. A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Burnside, WR (reprint author), Univ New Mexico, Dept Biol, MSC03 2020,1 Univ New Mexico, Albuquerque, NM 87131 USA. EM burnsidewr@gmail.com OI Burger, Oskar/0000-0002-7552-5851 NR 95 TC 28 Z9 28 U1 2 U2 58 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1464-7931 EI 1469-185X J9 BIOL REV JI Biol. Rev. PD FEB PY 2012 VL 87 IS 1 BP 194 EP 208 DI 10.1111/j.1469-185X.2011.00192.x PG 15 WC Biology SC Life Sciences & Biomedicine - Other Topics GA 871IU UT WOS:000298732300010 PM 21781233 ER PT J AU Urban, J Svec, F Frechet, JMJ AF Urban, Jiri Svec, Frantisek Frechet, Jean M. J. TI A monolithic lipase reactor for biodiesel production by transesterification of triacylglycerides into fatty acid methyl esters SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE biodiesel; transesterification; lipase; soybean oil; fatty acid methyl esters; polymer monolith; design of experiments; response surface methodology; immobilization ID PERFORMANCE LIQUID-CHROMATOGRAPHY; RESPONSE-SURFACE METHODOLOGY; SYNTHETICALLY USEFUL ENZYMES; POROUS POLYMER MONOLITHS; LESS COMMON APPLICATIONS; COOKING PALM OIL; AFFINITY-CHROMATOGRAPHY; MICROFLUIDIC DEVICES; MACROPOROUS POLYMER; CAPILLARY COLUMNS AB An enzymatic reactor with lipase immobilized on a monolithic polymer support has been prepared and used to catalyze the transesterification of triacylglycerides into the fatty acid methyl esters commonly used for biodiesel. A design of experiments procedure was used to optimize the monolithic reactor with variables including control of the surface polarity of the monolith via variations in the length of the hydrocarbon chain in alkyl methacrylate monomer, time of grafting of 1-vinyl-4,4-dimethylazlactone used to activate the monolith, and time used for the immobilization of porcine lipase. Optimal conditions involved the use of a poly(stearyl methacrylate-co-ethylene dimethacrylate) monolith, grafted first with vinylazlactone, then treated with lipase for 2?h to carry out the immobilization of the enzyme. Best conditions for the transesterification of glyceryl tributyrate included a temperature of 37 degrees C and a 10?min residence time of the substrate in the bioreactor. The reactor did not lose its activity even after pumping through it a solution of substrate equaling 1,000 reactor volumes. This enzymatic reactor was also used for the transesterification of triacylglycerides from soybean oil to fatty acid methyl esters thus demonstrating the ability of the reactor to produce biodiesel. Biotechnol. Bioeng. 2012; 109:371380. (c) 2011 Wiley Periodicals, Inc. C1 [Urban, Jiri; Frechet, Jean M. J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Svec, Frantisek] EO Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA USA. [Frechet, Jean M. J.] KAUST, Thuwal, Saudi Arabia. RP Frechet, JMJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM frechet1@gmail.com RI Urban, Jiri/D-1133-2014; OI Frechet, Jean /0000-0001-6419-0163 FU National Institute of Health [GM48364]; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231] FX Contract grant sponsor: National Institute of Health GM48364; Experimental and characterization work performed at the Molecular Foundry, Lawrence Berkeley National Laboratory and F.S. were supported by the Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-AC02-05CH11231. Financial support of this research by a grant of the National Institute of Health (GM48364) is gratefully acknowledged. NR 49 TC 20 Z9 20 U1 2 U2 48 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD FEB PY 2012 VL 109 IS 2 BP 371 EP 380 DI 10.1002/bit.23326 PG 10 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 861LP UT WOS:000298020700008 PM 21915852 ER PT J AU Wang, QQ He, Z Zhu, Z Zhang, YHP Ni, Y Luo, XL Zhu, JY AF Wang, Q. Q. He, Z. Zhu, Z. Zhang, Y. -H. P. Ni, Y. Luo, X. L. Zhu, J. Y. TI Evaluations of cellulose accessibilities of lignocelluloses by solute exclusion and protein adsorption techniques SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE cellulose accessibility to cellulase; enzymatic hydrolysis; saccharification; protein; cellulose adsorption; fiber hornification; pretreatment ID INDUCED FIBER HORNIFICATION; ENZYMATIC-HYDROLYSIS; ETHANOL-PRODUCTION; POROUS STRUCTURE; LIGNIN; SACCHARIFICATION; DIGESTIBILITY; FRACTIONATION; SUBSTRATE; ENZYMES AB Cellulose accessibilities of a set of hornified lignocellulosic substrates derived by drying the never dried pretreated sample and a set of differently pretreated lodgepople pine substrates, were evaluated using solute exclusion and protein adsorption methods. Direct measurements of cellulase adsorption onto cellulose surface of the set of pretreated substrates were also carried out using an in situ UVVis spectrophotometric technique. The cellulose accessibilities measured by the solute exclusion and a cellulose-binding module (CBM)-containing green fluorescent protein (TGC) adsorption methods correlate well for both sets of samples. The substrate enzymatic digestibilities (SEDs) of the hornified substrates are proportional to the measured cellulose accessibilities. Approximately over 90% of the SED was contributed by the accessible pore surfaces of the hornified substrates, suggesting that the substrate external surface plays a minor role contributing to cellulose accessibility and SED. The cellulose accessibilities of the pretreated substrates correlated well with the amounts of cellulase adsorbed. The SEDs of these substrates directly correlated with the amounts of adsorbed cellulase. Biotechnol. Bioeng. 2012; 109:381389. (c) 2011 Wiley Periodicals, Inc. C1 [Wang, Q. Q.; Zhu, J. Y.] USDA Forest Serv, Forest Prod Lab, Madison, WI USA. [Wang, Q. Q.; Luo, X. L.] S China Univ Technol, State Key Lab Pulp & Paper Engn, Guangzhou, Guangdong, Peoples R China. [He, Z.; Ni, Y.] Univ New Brunswick, Limerick Pulp & Paper Ctr, Fredericton, NB, Canada. [Zhu, Z.; Zhang, Y. -H. P.] Virginia Polytech Inst & State Univ, Dept Biol Syst Engn, Blacksburg, VA USA. [Zhu, Z.; Zhang, Y. -H. P.] US DOE Bioenergy Sci Ctr, Oak Ridge, TN USA. RP Zhu, JY (reprint author), USDA Forest Serv, Forest Prod Lab, Madison, WI USA. EM jzhu@fs.fed.us RI Wang, Qianqian/G-1915-2012 OI Wang, Qianqian/0000-0003-3514-455X FU U.S. Forest Service [WBBB, 2009]; USDA Agriculture and Food Research Initiative (AFRI) [2011-67009-20056]; U.S. DOE BioEnergy Science Center (BESC); Government of Canada FX Contract grant sponsor: U.S. Forest Service through the Program of Woody Biomass, Bioenergy, and Bioproducts; Contract grant number: WBBB, 2009; Contract grant sponsor: USDA Agriculture and Food Research Initiative (AFRI); Contract grant number: 2011-67009-20056; Contract grant sponsor: U.S. DOE BioEnergy Science Center (BESC); Contract grant sponsor: Canada Research Chair Program of the Government of Canada NR 38 TC 62 Z9 63 U1 1 U2 56 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD FEB PY 2012 VL 109 IS 2 BP 381 EP 389 DI 10.1002/bit.23330 PG 9 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 861LP UT WOS:000298020700009 PM 21915856 ER PT J AU Bose, S Barnes, CA Petrich, JW AF Bose, Sayantan Barnes, Charles A. Petrich, Jacob W. TI Enhanced stability and activity of cellulase in an ionic liquid and the effect of pretreatment on cellulose hydrolysis SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE ionic liquids; green solvents; enzyme stability; activity; cellulose pretreatment; glucose ID 1-N-BUTYL-3-METHYLIMIDAZOLIUM CHLORIDE; LIGNOCELLULOSIC BIOMASS; ENZYMATIC-HYDROLYSIS; BIOCATALYSIS; DISSOLUTION; SOLVENTS; ENZYMES; KOSMOTROPICITY; VISCOSITY; BIOFUELS AB We discuss the hydrolysis of cellulose using a pure cellulase: endo-1,4-beta-D-glucanase (EG) from the fungus, Aspergillus niger, in buffer, the pure ionic liquid (IL), tris-(2-hydroxyethyl)-methylammonium methylsulfate (HEMA), and various mixtures of the two at different temperatures. Steady-state fluorescence and absorbance studies were performed to monitor the stability and activity of EG using cellulose azure as the substrate. EG attains its highest activity at 45 degrees C in buffer and denatures at similar to 55 degrees C. On the other hand, HEMA imparts substantial stability to the enzyme, permitting the activity to peak at 75 degrees C. The relative roles of temperature, viscosity, pH, polarity, and the constituent ions of the ILs on the hydrolysis reaction are examined. It is demonstrated that pretreatment of cellulose with ILs such as BMIM Cl, MIM Cl, and HEMA results in more rapid conversion to glucose than hydrolysis with cellulose that is not pretreated. The percent conversion to glucose from pretreated cellulose is increased when the temperature is increased from 45 to 60 degrees C. Two different ILs are used to increase the efficiency of cellulose conversion to glucose. Cellulose is pretreated with BMIM Cl. Subsequent hydrolysis of the pretreated cellulose in 1020% solutions of HEMA in buffer provides higher yields of glucose at 60 degrees C. Finally, to our knowledge, this is the first study dealing with a pure endoglucanase from commercial A. niger. This enzyme not only shows higher tolerance to ILs, such as HEMA, but also has enhanced thermostability in the presence of the IL. Biotechnol. Bioeng. 2012; 109:434443. (c) 2011 Wiley Periodicals, Inc. C1 [Bose, Sayantan; Petrich, Jacob W.] Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. [Barnes, Charles A.; Petrich, Jacob W.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Petrich, JW (reprint author), Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. EM jwp@iastate.edu RI Bose, Sayantan/C-2749-2012; Petrich, Jacob/L-1005-2015 FU Department of Energy-Basic Energy Sciences [DE-AC02-07CH11358]; Iowa State University [DE-AC02-07CH11358] FX Contract grant sponsor: Department of Energy-Basic Energy Sciences; Contract grant number: DE-AC02-07CH11358; We thank Zhongyuan Qian and Prof. Scott Chumbley for assistance in the SEM experiments. We thank Prof. Daniel W. Armstrong for synthesizing the ionic liquid MIM Cl. We also thank Debabrata Mukherjee for helping with the analytical separation process. S.B. was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences through the Ames Laboratory (S.B.). The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 52 TC 46 Z9 47 U1 5 U2 77 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD FEB PY 2012 VL 109 IS 2 BP 434 EP 443 DI 10.1002/bit.23352 PG 10 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 861LP UT WOS:000298020700015 PM 22006641 ER PT J AU Wyatt, NB Gloe, LM Brady, PV Hewson, JC Grillet, AM Hankins, MG Pohl, PI AF Wyatt, Nicholas B. Gloe, Lindsey M. Brady, Patrick V. Hewson, John C. Grillet, Anne M. Hankins, Matthew G. Pohl, Phillip I. TI Critical conditions for ferric chloride-induced flocculation of freshwater algae SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE flocculation; algae; ferric chloride ID CLAY FLOCCULATION; MICROALGAE; COAGULATION; BIODIESEL; RECOVERY; BIOFUELS; BIOMASS; CHALLENGES; CHITOSAN; REMOVAL AB The effects of algae concentration, ferric chloride dose, and pH on the flocculation efficiency of the freshwater algae Chlorella zofingiensis can be understood by considering the nature of the electrostatic charges on the algae and precipitate surfaces. Two critical conditions are identified which, when met, result in flocculation efficiencies in excess of 90% for freshwater algae. First, a minimum concentration of ferric chloride is required to overcome the electrostatic stabilization of the algae and promote bridging of algae cells by hydroxide precipitates. At low algae concentrations, the minimum amount of ferric chloride required increases linearly with algae concentration, characteristic of flocculation primarily through electrostatic bridging by hydroxide precipitates. At higher algae concentrations, the minimum required concentration of ferric chloride for flocculation is independent of algae concentration, suggesting a change in the primary flocculation mechanism from bridging to sweep flocculation. Second, the algae must have a negative surface charge. Experiments and surface complexation modeling show that the surface charge of C. zofingiensis is negative above a pH of 4.0?+/-?0.3 which agrees well with the minimum pH required for effective flocculation. These critical flocculation criteria can be extended to other freshwater algae to design effective flocculation systems. Biotechnol. Bioeng. 2012; 109:493501. (c) 2011 Wiley Periodicals, Inc. C1 [Wyatt, Nicholas B.; Gloe, Lindsey M.; Hewson, John C.; Grillet, Anne M.] Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA. [Brady, Patrick V.; Hankins, Matthew G.; Pohl, Phillip I.] Sandia Natl Labs, Div Energy & Environm, Albuquerque, NM 87185 USA. RP Wyatt, NB (reprint author), Sandia Natl Labs, Engn Sci Ctr, POB 5800, Albuquerque, NM 87185 USA. EM nbwyatt@sandia.gov FU Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Contract grant sponsor: Sandia National Laboratories; This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lock-heed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 41 TC 59 Z9 60 U1 9 U2 61 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD FEB PY 2012 VL 109 IS 2 BP 493 EP 501 DI 10.1002/bit.23319 PG 9 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 861LP UT WOS:000298020700021 PM 21882173 ER PT J AU Matthews, JF Himmel, ME Crowley, MF AF Matthews, James F. Himmel, Michael E. Crowley, Michael F. TI Conversion of cellulose I alpha to I beta via a high temperature intermediate (I-HT) and other cellulose phase transformations SO CELLULOSE LA English DT Article DE Phase transformation; Polymorph; Cellulose I alpha I beta II III(I) IV(I) IV(II) I-HT alpha beta ID SYNCHROTRON X-RAY; CRYSTAL-STRUCTURE PREDICTION; NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; NATIVE CELLULOSE; POLYMER CRYSTALLIZATION; ELEVATED-TEMPERATURES; POLYMORPH PREDICTION; STRUCTURAL-CHANGES; 6 MONOSACCHARIDES AB The observation that the hydrothermal conversion of cellulose I alpha to cellulose I beta is irreversible has been assumed to be due to the relative free energy of these polymorph phases. We propose an alternative explanation: when cooling the high temperature phase, the barrier to forming I beta is much smaller than the barrier to forming I alpha, so kinetics favor the formation of I beta. This explanation is consistent with all available experimental data, and is consistent with the general observation of polymer solid-solid phase transformations via metastable intermediate states. While cellulose I beta may be lower in free energy than I alpha, this has not been shown experimentally. Phase transformations of other cellulose polymorphs may be subject to similar kinetic effects when converted via metastable intermediate states. C1 [Matthews, James F.; Himmel, Michael E.; Crowley, Michael F.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO USA. RP Matthews, JF (reprint author), Natl Renewable Energy Lab, Biosci Ctr, Golden, CO USA. EM james.matthews@nrel.gov; michael.crowley@nrel.gov RI crowley, michael/A-4852-2013 OI crowley, michael/0000-0001-5163-9398 FU Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0000997] FX This material is based upon work supported as part of the Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0000997. The authors would like to thank Gregg T. Beckham for helpful discussions. NR 62 TC 7 Z9 7 U1 3 U2 35 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 J9 CELLULOSE JI Cellulose PD FEB PY 2012 VL 19 IS 1 BP 297 EP 306 DI 10.1007/s10570-011-9608-x PG 10 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA 874YN UT WOS:000298994600027 ER PT J AU Dixon-Lewis, G Marshall, P Ruscic, B Burcat, A Goos, E Cuoci, A Frassoldati, A Faravelli, T Glarborg, P AF Dixon-Lewis, Graham Marshall, Paul Ruscic, Branko Burcat, Alexander Goos, Elke Cuoci, Alberto Frassoldati, Alessio Faravelli, Tiziano Glarborg, Peter TI Inhibition of hydrogen oxidation by HBr and Br-2 SO COMBUSTION AND FLAME LA English DT Article DE Bromine; Kinetics; Flame inhibition; Thermochemistry; Ab initio calculations ID ACTIVE THERMOCHEMICAL TABLES; BOND-DISSOCIATION ENERGY; GAS-PHASE REACTION; AB-INITIO; BROMINE REACTION; RATE-CONSTANT; PRESSURE-DEPENDENCE; BURNING VELOCITIES; ABSORPTION-SPECTRA; IONIZATION-ENERGY AB The high-temperature bromine chemistry was updated and the inhibition mechanisms involving HBr and Br-2 were re-examined. The thermochemistry of the bromine species was obtained using the Active Thermochemical Tables (ATcT) approach, resulting in improved data for, among others, Br, HBr, HOBr and BrO. Ab initio calculations were used to obtain rate coefficients for selected reactions of HBr and HOBr, and the hydrogen/bromine/oxygen reaction mechanism was updated. The resulting model was validated against selected experimental data from the literature and used to analyze the effect of HBr and Br-2 on laminar, premixed hydrogen flames. Our work shows that hydrogen bromide and molecular bromine act differently as inhibitors in flames. For HBr, the reaction HBr + H (sic) H-2 + Br (R2) is rapidly equilibrated, depleting HBr in favor of atomic Br, which is the major bromine species throughout the reaction zone. The chain-breaking steps are then H + Br + M --> HBr + M (R1), Br + HO2 --> HBr + O-2 (R7), and Br + Br + M --> Br-2 + M (R8). In Br-2-doped flames, the reaction Br-2 + H (sic) HBr + Br (R9) is far from equilibration and serves to deplete H in the reaction zone by competing with H + O-2 --> O + OH. The inhibition is augmented by recombination of Br (R8). If the inlet Br-2 mole fraction exceeds about 20%, reactions (R8) and (R2) are both reversed, now acting to promote chain branching and increase the flame speed. According to the present model, cycles involving HOBr are not important for generation or removal of chain carriers in these flames. (C) 2011 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Glarborg, Peter] Tech Univ Denmark, DTU Chem Engn, DK-2800 Lyngby, Denmark. [Dixon-Lewis, Graham] Univ Leeds, Dept Fuel & Energy, Leeds LS2 9JT, W Yorkshire, England. [Marshall, Paul] Univ N Texas, Dept Chem, Denton, TX 76203 USA. [Marshall, Paul] Univ N Texas, CASCaM, Denton, TX 76203 USA. [Ruscic, Branko] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Burcat, Alexander] Technion Israel Inst Technol, Fac Aerosp Engn, IL-32000 Haifa, Israel. [Goos, Elke] DLR, Inst Combust Technol, D-70569 Stuttgart, Germany. [Cuoci, Alberto; Frassoldati, Alessio; Faravelli, Tiziano] Politecn Milan, Dipartimento Chim Mat & Ingn Chim G Natta, I-20133 Milan, Italy. RP Glarborg, P (reprint author), Tech Univ Denmark, DTU Chem Engn, DK-2800 Lyngby, Denmark. EM pgl@kt.dtu.dk RI Faravelli, Tiziano/L-2310-2013; Goos, Elke/D-5372-2009; Cuoci, Alberto/G-7814-2012; Frassoldati, Alessio/F-6688-2013; Ruscic, Branko/A-8716-2008; OI Cuoci, Alberto/0000-0001-5653-0180; Ruscic, Branko/0000-0002-4372-6990; Frassoldati, Alessio/0000-0003-0264-438X; Faravelli, Tiziano/0000-0001-8382-7342 FU US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences [DE-AC02-06CH11357]; Robert A. Welch Foundation [B-1174]; National Science Foundation grant [CHE-0741936] FX To the authors' knowledge, this is the last paper co-authored by Graham Dixon-Lewis, whose death has deprived the combustion community of one of its finest scientists and most beloved colleagues. Graham had been working earlier on flame inhibition by bromine species (Refs. 30-32) and this topic still had his interest. After the PG plenary on the impact of trace species in combustion at the 31st international symposium in Heidelberg in 2006 (Ref. 6), Graham took the initiative for the present work. Together with PG, he defined the scope of the work, chose the experiments to take into consideration, and participated in the preliminary modeling. After his death, the group of collaborators was expanded to enhance the quality of the model and resolve issues with the flame calculations. The work at Argonne National Laboratory was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357. Portions of this research are related to the effort of the Task Group of the International Union of Pure and Applied Chemistry, "Selected Free Radicals and Critical Intermediates: Thermodynamic Properties from Theory and Experiment" (IUPAC Project 2003-024-1-100). The UNT work was supported by the Robert A. Welch Foundation (Grant B-1174) and used computational facilities purchased with a National Science Foundation grant (CHE-0741936). NR 149 TC 13 Z9 13 U1 0 U2 16 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD FEB PY 2012 VL 159 IS 2 BP 528 EP 540 DI 10.1016/j.combustflame.2011.08.016 PG 13 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 875XJ UT WOS:000299068200007 ER PT J AU Haylett, DR Davidson, DF Hanson, RK AF Haylett, Daniel R. Davidson, David F. Hanson, Ronald K. TI Ignition delay times of low-vapor-pressure fuels measured using an aerosol shock tube SO COMBUSTION AND FLAME LA English DT Article DE Ignition delay times; Aerosol shock tube; n-Dodecane; n-Hexadecane; Methyl decanoate; Diesel ID N-DODECANE OXIDATION; COMBUSTION; HEXADECANE; MECHANISM; DECANE; AUTOIGNITION; HISTORIES; SURROGATE; HEPTANE; OH AB Gas-phase ignition delay times were measured behind reflected shock waves for a wide variety of low-vapor-pressure fuels. These gas-phase measurements, without the added convolution with evaporation times, were made possible by using an aerosol shock tube. The fuels studied include three large normal alkanes, n-decane, n-dodecane and n-hexadecane; one large methyl ester, methyl decanoate; and several diesel fuels, DF-2, with a range of cetane indices from 42 to 55. The reflected shock conditions of the experiments covered temperatures from 838 to 1381 K. pressures from 1.71 to 8.63 atm, oxygen concentrations from 1 to 21%, and equivalence ratios from 0.1 to 2. Ignition delay times were measured using sidewall pressure, IR laser absorption by fuel at 3.39 mu m, and CH* and OH* emission. Measurements are compared to previous studies using heated shock tubes and current models. Model simulations show similar trends to the current measurement except in the case of n-dodecane/21% O(2)/argon experiments. At higher temperatures, e.g. 1250 K. the measured ignition delay times for these mixtures are significantly longer in lean mixtures than in rich mixtures; current models predict the opposite trend. As well, the current measurements show significantly shorter ignition delay times for rich mixtures than the model predictions. (C) 2011 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Haylett, Daniel R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Davidson, David F.; Hanson, Ronald K.] Stanford Univ, Dept Mech Engn, High Temp Gasdynam Lab, Stanford, CA 94305 USA. RP Haylett, DR (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM danhaylett@gmail.com FU Army Research Office FX The authors would like to acknowledge the continued support of the Army Research Office for this work with Dr. Ralph Anthenien Jr. as contract monitor. We would also like to thank Dr. Westbrook and the LLNL Combustion Chemistry Group for supplying the PRF mechanism simulation results. NR 26 TC 38 Z9 41 U1 1 U2 28 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 FEB PY 2012 VL 159 IS 2 BP 552 EP 561 DI 10.1016/j.combustflame.2011.08.021 PG 10 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 875XJ UT WOS:000299068200009 ER PT J AU Bobba, MK Musculus, MPB AF Bobba, Mohan Krishna Musculus, Mark Paul Blobaum TI Laser diagnostics of soot precursors in a heavy-duty diesel engine at low-temperature combustion conditions SO COMBUSTION AND FLAME LA English DT Article DE PAH; Particulate matter; Diesel combustion; Fluorescence; LII; Low temperature combustion ID POLYCYCLIC AROMATIC-HYDROCARBONS; INDUCED INCANDESCENCE; DIFFUSION FLAME; NANOPARTICLES; EMISSIONS; FUELS AB To better understand in-cylinder soot formation processes for modern, low-emissions, low-temperature combustion (LTC) operating conditions in diesel engines, soot and its precursors are imaged by laser diagnostics in a heavy duty optical engine. Virtually simultaneous images of planar laser-induced incandescence of soot (soot-PLII) using 1064 nm excitation and combined soot-PLII and planar laser-induced fluorescence of poly-cyclic aromatic hydrocarbons (PAH-PLIF) using 532 nm excitation reveal the temporal and spatial evolution of soot and its precursors during combustion. With increasing dilution of the intake air stream by various levels of nitrogen to simulate the use of exhaust-gas recirculation (EGR) to achieve LTC, the residence time of PAH increases as soot formation is delayed. At zero dilution (21% intake oxygen), soot appears nearly simultaneously with PAH, while at higher dilution (12.7% or 9.5% intake oxygen), soot formation is delayed by hundreds of microseconds to a millisecond or more. At all dilution levels, at its onset, PAH rapidly fills most of the downstream cross-section of the jet, with a relatively uniform fluorescence intensity distribution. The spatial evolution of soot, however, shifts from a relatively rapid filling of the downstream head of the jet at low dilution, to inception at the midstream periphery of the jet followed by a gradual progression downstream at high dilution. Effects of fuel-bound aromatics are also explored by comparing soot and PAH formation for a representative diesel fuel containing 27% aromatics by weight to that for neat n-heptane. The residence time of PAH before the onset of soot is slightly longer with the non-aromatic fuel, but otherwise the spatial and temporal evolution of PAH-PLIF and soot-PLII are indistinguishable from that of the diesel fuel at LTC conditions. Spectral analysis shows a characteristic soot emission spectra from 1064 nm excitation, while 532 nm excitation yields significant short-wavelength emission that cannot be attributed solely to soot incandescence, and is likely due to fluorescence of large PAH soot precursors. No narrow spectral features, such as from C2 or C3 emission, are apparent in the spectra, even at high laser fluence. Published by Elsevier Inc. on behalf of The Combustion Institute. C1 [Bobba, Mohan Krishna; Musculus, Mark Paul Blobaum] Sandia Natl Labs, Engine Combust Div, Combust Res Facil, Livermore, CA 94550 USA. RP Musculus, MPB (reprint author), Sandia Natl Labs, Engine Combust Div, Combust Res Facil, 7011 East Ave, Livermore, CA 94550 USA. EM mpmuscu@sandia.gov FU US Department of Energy, Office of Vehicle Technologies; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The optical engine experiments were performed at the Combustion Research Facility, Sandia National Laboratories, Livermore, CA. Support for this research was provided by the US Department of Energy, Office of Vehicle Technologies. Sandia is a multi-program 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. The authors express their gratitude to David Cicone of Sandia National Laboratories for his assistance with maintaining the optical-access research engine used in these experiments. NR 34 TC 20 Z9 21 U1 1 U2 26 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 FEB PY 2012 VL 159 IS 2 BP 832 EP 843 DI 10.1016/j.combustflame.2011.07.017 PG 12 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 875XJ UT WOS:000299068200032 ER PT J AU Vander Wal, RL Pushkarev, V Fujiyama-Novak, JH AF Vander Wal, Randall L. Pushkarev, Vladimir Fujiyama-Novak, Jane H. TI Fire signatures of spacecraft materials: Gases and particulates SO COMBUSTION AND FLAME LA English DT Article DE Fire signature; Combustion; Fire sensor; Polymers; Composites ID DIFFUSION FLAMES; MICROGRAVITY; COMBUSTION; STEADY AB The primary goal of this research is to create a database of fire signatures for practical spacecraft materials in a new combustion facility and to provide recommendations for the development of improved fire sensors for future space exploration. During a fire, foams and plastics can generate three types of residues: condensables, light gases, and particulates (soots). The residues were characterized by gas chromatography (GC), Fourier transform infrared spectroscopy (FTIR), and transmission electron microscopy (TEM). These analyses were performed as a function of oxygen occurrence, temperature, and convective flow direction relative to the normal gravitational vector. Among the four polymers studied in this work, forced convective flow direction has a great impact upon particulate yield. Variation of light gases with temperature and different atmospheres turn out to be more convoluted. Particulates can be used as fire signature for most of the materials; nevertheless no single species serves as a reliable indicator for any given material. (C) 2011 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Vander Wal, Randall L.; Fujiyama-Novak, Jane H.] Penn State Univ, Dept Energy & Mineral Engn, State Coll, PA 16802 USA. [Vander Wal, Randall L.; Fujiyama-Novak, Jane H.] Penn State Univ, EMS Energy Inst, State Coll, PA 16802 USA. [Pushkarev, Vladimir] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Vander Wal, RL (reprint author), Penn State Univ, Dept Energy & Mineral Engn, State Coll, PA 16802 USA. EM ruv12@psu.edu RI Fujiyama-Novak, Jane/G-5975-2014 OI Fujiyama-Novak, Jane/0000-0002-5595-7438 FU NASA [NRA01-OBPR-08] FX This research was supported by NASA NRA01-OBPR-08 administered through NCC3-975. The assistance of Gordon M. Berger and Daniel Scheiman is gratefully acknowledged. NR 19 TC 1 Z9 1 U1 0 U2 8 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 FEB PY 2012 VL 159 IS 2 BP 897 EP 904 DI 10.1016/j.combustflame.2011.08.012 PG 8 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 875XJ UT WOS:000299068200039 ER PT J AU Hammond, JR Krishnamoorthy, S Shende, S Romero, NA Malony, AD AF Hammond, Jeff R. Krishnamoorthy, Sriram Shende, Sameer Romero, Nichols A. Malony, Allen D. TI Performance characterization of global address space applications: a case study with NWChem SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article; Proceedings Paper CT Conference on Frontiers of Multicore Computing CY AUG, 2010 CL Univ Maryland, Baltimore County, Catonsville, MD HO Univ Maryland, Baltimore County DE performance characterization; global address space; computational chemistry ID PARALLEL COMPUTERS; CLUSTER; TRANSFORMATIONS; PROCESSORS; ALGORITHMS AB The use of global address space languages and one-sided communication for complex applications is gaining attention in the parallel computing community. However, lack of good evaluative methods to observe multiple levels of performance makes it difficult to isolate the cause of performance deficiencies and to understand the fundamental limitations of system and application design for future improvement. NWChem is a popular computational chemistry package, which depends on the Global Arrays/Aggregate Remote Memory Copy Interface suite for partitioned global address space functionality to deliver high-end molecular modeling capabilities. A workload characterization methodology was developed to support NWChem performance engineering on large-scale parallel platforms. The research involved both the integration of performance instrumentation and measurement in the NWChem software, as well as the analysis of one-sided communication performance in the context of NWChem workloads. Scaling studies were conducted for NWChem on Blue Gene/P and on two large-scale clusters using different generation Infiniband interconnects and x86 processors. The performance analysis and results show how subtle changes in the runtime parameters related to the communication subsystem could have significant impact on performance behavior. The tool has successfully identified several algorithmic bottlenecks, which are already being tackled by computational chemists to improve NWChem performance. Copyright (C) 2011 John Wiley & Sons, Ltd. C1 [Hammond, Jeff R.; Romero, Nichols A.] Argonne Natl Lab, Argonne, IL 60439 USA. [Krishnamoorthy, Sriram] Pacific NW Natl Lab, Richland, WA 99352 USA. [Shende, Sameer; Malony, Allen D.] Univ Oregon, Eugene, OR 97403 USA. RP Hammond, JR (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jhammond@mcs.anl.gov RI 李, 涵/B-4995-2012; Hammond, Jeff/G-8607-2013 OI Hammond, Jeff/0000-0003-3181-8190 NR 57 TC 11 Z9 11 U1 0 U2 11 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1532-0626 EI 1532-0634 J9 CONCURR COMP-PRACT E JI Concurr. Comput.-Pract. Exp. PD FEB PY 2012 VL 24 IS 2 SI SI BP 135 EP 154 DI 10.1002/cpe.1881 PG 20 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 877RW UT WOS:000299201000004 ER PT J AU Tsiamis, G Tzagkaraki, G Chamalaki, A Xypteras, N Andersen, G Vayenas, D Bourtzis, K AF Tsiamis, George Tzagkaraki, Georgia Chamalaki, Athina Xypteras, Nikolaos Andersen, Gary Vayenas, Dimitris Bourtzis, Kostas TI Olive-Mill Wastewater Bacterial Communities Display a Cultivar Specific Profile SO CURRENT MICROBIOLOGY LA English DT Article ID DEGRADATION; BIOREMEDIATION; PHENOL; STRAIN AB Culture-dependent and -independent approaches were employed to identify the bacterial community structure from olive-mill wastewater produced from three olive-fruit varieties. The 233 bacterial isolates recovered were phylogenetically related to 38 members of Firmicutes, Actinobacteria, alpha-Proteobacteria, beta-Proteobacteria, gamma-Proteobacteria, and Bacteroidetes. Employing a novel microarray-based approach (PhyloChip) a high bacterial diversity was revealed consisting of 18 different phyla with representatives from 99 different families. The bacterial diversity in olive-mill wastewater from the three olive tree varieties was dominated by alpha-, beta-, gamma-, delta-, epsilon-Proteobacteria, Firmicutes, Bacteroidetes, Chloroflexi, Cyanobacteria, and Actinobacteria. This in-depth analysis of the indigenous microbiota indicated a cultivar-specific bacterial profile. Interestingly, the common bacterial taxa present in all three varieties examined were restricted indicating that the bacterial communities present in the olive-mill wastewater are greatly influenced by the olive-fruit variety. C1 [Tsiamis, George; Tzagkaraki, Georgia; Chamalaki, Athina; Xypteras, Nikolaos; Vayenas, Dimitris; Bourtzis, Kostas] Univ Ioannina, Agrinion, Greece. [Andersen, Gary] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Environm Biotechnol, Berkeley, CA 94720 USA. [Vayenas, Dimitris] Fdn Res & Technol Hellas, Inst Chem Engn & High Temp Chem Proc, Rion, Greece. RP Bourtzis, K (reprint author), Univ Western Greece, Dept Environm & Nat Resources Management, Agrinion, Greece. EM kbourtz@uoi.gr RI Andersen, Gary/G-2792-2015; OI Andersen, Gary/0000-0002-1618-9827; Vayenas, Dimitris/0000-0003-1325-1960 FU EU CSA-REGPROT [203590-MicrobeGR]; University of Ioannina FX This work was partially supported by EU CSA-REGPROT 203590-MicrobeGR and by intramural funds of the University of Ioannina to KB. We thank Nikos Kyrpides for his long-lasting support and the stimulating discussions that we had during the preparation of this manuscript. Microarray chip raw data can be obtained by sending an e-mail to the corresponding author (kbourtz@uoi.gr). NR 21 TC 7 Z9 7 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0343-8651 J9 CURR MICROBIOL JI Curr. Microbiol. PD FEB PY 2012 VL 64 IS 2 BP 197 EP 203 DI 10.1007/s00284-011-0049-4 PG 7 WC Microbiology SC Microbiology GA 876FD UT WOS:000299092000017 PM 22109856 ER PT J AU Yang, Z Wang, T Khangaonkar, T Breithaupt, S AF Yang, Zhaoqing Wang, Taiping Khangaonkar, Tarang Breithaupt, Stephen TI Integrated modeling of flood flows and tidal hydrodynamics over a coastal floodplain SO ENVIRONMENTAL FLUID MECHANICS LA English DT Article DE Integrated modeling; Coastal floodplain; Estuary; Tide; Flood; Hydrodynamics ID OCEAN MODEL; ESTUARINE HYDRODYNAMICS; FINITE-VOLUME; RESTORATION; RIVER; HABITAT; EQUATIONS; OREGON; SALMON; STREAM AB The interactions of physical processes between estuaries and upstream river floodplains are of great importance to the fish habitats and ecosystems in coastal regions. Traditionally, a hydraulic analysis of floodplains has used one- or two-dimensional models. While this approach may be sufficient for planning the engineering design for flood protection, it is inadequate when floodwaters inundate the floodplain in a complex manner. Similarly, typical estuarine and coastal modeling studies do not consider the effect of upstream river floodplains because of the technical challenge of modeling wetting and drying processes in floodplains and higher bottom elevations in the upstream river domain. While various multi-scale model frameworks have been proposed for modeling the coastal oceans, estuaries, and rivers with a combination of different models, this paper presents a modeling approach for simulating the hydrodynamics in the estuary and river floodplains, which provides a smooth transition between the two regimes using an unstructured-grid, coastal ocean model. This approach was applied to the Skagit River estuary and its upstream river floodplain of Puget Sound along the northwest coast of North America. The model was calibrated with observed data for water levels and velocities under low-flow and high-flood conditions. This study successfully demonstrated that a three-dimensional estuarine and coastal ocean model with an unstructured-grid framework and wetting-drying capability can be extended much further upstream to simulate the inundation processes and the dynamic interactions between the estuarine and river floodplain regimes. C1 [Yang, Zhaoqing; Wang, Taiping; Khangaonkar, Tarang; Breithaupt, Stephen] Pacific NW Natl Lab, Seattle, WA 98109 USA. RP Yang, Z (reprint author), Pacific NW Natl Lab, 1100 Dexter Ave N,Suite 400, Seattle, WA 98109 USA. EM zhaoqing.yang@pnnl.gov FU Skagit Watershed Council (SWC); Skagit River System Corporative (SRSC); EPA-STAR [EPA-G2005-STAR-L1]; Seattle City Light FX This model development was conducted through partial funding from the Skagit Watershed Council (SWC) and the Skagit River System Corporative (SRSC) as part of the Middle Skagit River and the Gilligan Creek Restoration Projects, as well as an EPA-STAR grant on Nonlinear Responses to Global Change in Linked Aquatic and Terrestrial Ecosystems (EPA-G2005-STAR-L1). Guidance and direction provided by Ms. Mary Raines of SWC and Mr. Devin Smith and Mr. Steve Hinton of SRSC are highly appreciated. We would also like to acknowledge Mr. Ed Connor of Seattle City Light who was the sponsor and provided velocity data for model calibration in the Middle Skagit River. NR 46 TC 10 Z9 10 U1 0 U2 8 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1567-7419 J9 ENVIRON FLUID MECH JI Environ. Fluid Mech. PD FEB PY 2012 VL 12 IS 1 BP 63 EP 80 DI 10.1007/s10652-011-9214-3 PG 18 WC Environmental Sciences; Mechanics; Meteorology & Atmospheric Sciences; Oceanography; Water Resources SC Environmental Sciences & Ecology; Mechanics; Meteorology & Atmospheric Sciences; Oceanography; Water Resources GA 877JH UT WOS:000299173800005 ER PT J AU Farfan, EB Stanley, S Holmes, C Lennox, K Oldham, M Clift, C Thomas, A Adamovics, J AF Farfan, Eduardo B. Stanley, Steven Holmes, Christopher Lennox, Kathryn Oldham, Mark Clift, Corey Thomas, Andrew Adamovics, John TI LOCATING RADIATION HAZARDS AND SOURCES WITHIN CONTAMINATED AREAS BY IMPLEMENTING A REVERSE RAY TRACING TECHNIQUE IN THE RADBALL (TM) TECHNOLOGY SO HEALTH PHYSICS LA English DT Article DE contamination; detector; radiation; gamma radiation; radiation dose AB RadBall (TM) is a novel technology that can locate unknown radioactive hazards within contaminated areas, hot cells, and gloveboxes. The device consists of a colander-like outer tungsten collimator that houses a radiation-sensitive polymer semisphere. The collimator has a number of small holes; as a result, specific areas of the polymer are exposed to radiation, becoming increasingly more opaque in proportion to the absorbed dose. The polymer semisphere is imaged in an optical computed tomography scanner that produces a high resolution three-dimensional map of optical attenuation coefficients. A subsequent analysis of the optical attenuation data, using a reverse ray tracing technique, provides information on the spatial distribution of gamma-ray sources in a given area, forming a three-dimensional characterization of the area of interest. The RadBall (TM) technology and its reverse ray tracing technique were investigated using known radiation sources at the Savannah River Site's Health Physics Instrument Calibration Laboratory and unknown sources at the Savannah River National Laboratory's Shielded Cells facility. Health Phys. 102(2):196-207; 2012 C1 [Farfan, Eduardo B.] Savannah River Nucl Solut LLC, Savannah River Natl Lab, Environm Anal Sect, Aiken, SC 29808 USA. [Stanley, Steven; Holmes, Christopher; Lennox, Kathryn] Natl Nucl Lab, Warrington WA3 6AE, Cheshire, England. [Oldham, Mark; Clift, Corey; Thomas, Andrew] Duke Univ, Med Ctr, Durham, NC 27710 USA. [Clift, Corey] Montefiore Med Ctr, Bronx, NY 10467 USA. [Adamovics, John] Heuris Pharma LLC, Skillman, NJ 08558 USA. RP Farfan, EB (reprint author), Savannah River Nucl Solut LLC, Savannah River Natl Lab, Environm Anal Sect, 773-42A,Room 236, Aiken, SC 29808 USA. EM Eduardo.Farfan@srnl.doe.gov FU U.S. Department of Energy [DE-AC09-08SR22470]; U.S. Department of Energy-Office of Environmental Management FX The authors would like to thank Andrew P. Szilagyi, Director of the Office of Deactivation and Decommissioning (D&D) and Facility Engineering (EM-44), U.S. Department of Energy-Office of Environmental Management, for his support of the project entitled "Hot Cell Characterization" involving the testing, verification, and development of the RadBall (TM) technology. In addition, the authors would like to express their gratitude to Don Mackenzie for his guidance in the beginning of this project, Rebecca Butler (SRNS General Counsel) and Eric Frickey (SRNL Technology Transfer) for their support on the new technologies developed during this project, Ronald Blessing (SRNL Shielded Cells) for his help with the hot cell deployments at SRNL, and Michelle Holman-Abbott (SRNS Radiological Monitoring) for her help with the RadBall (TM) testing at the SRS Health Physics Instrument Calibration Laboratory. This project is being completed at Savannah River National Laboratory in collaboration with the United Kingdom's National Nuclear Laboratory, Duke University Medical Center, and Heuris Pharma LLC.; This manuscript has been co-authored by Savannah River Nuclear Solutions, LLC, under Contract No. DE-AC09-08SR22470 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting this article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this work, or allow others to do so, for United States Government purposes. Mention of trade names or commercial products does not constitute endorsement or recommendation for use by the authors or their corresponding organizations. NR 13 TC 3 Z9 3 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD FEB PY 2012 VL 102 IS 2 BP 196 EP 207 DI 10.1097/HP.0b013e3182348c0a PG 12 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 876LB UT WOS:000299107900009 PM 22217592 ER PT J AU Williamson, EA Boyle, TJ Raymond, R Farrington, J Verschraegen, C Shaheen, M Hromas, R AF Williamson, Elizabeth A. Boyle, Timothy J. Raymond, Rebecca Farrington, Jacqueline Verschraegen, Claire Shaheen, Montaser Hromas, Robert TI Cytotoxic activity of the titanium alkoxide (OPy)(2)Ti(4AP)(2) against cancer colony forming cells SO INVESTIGATIONAL NEW DRUGS LA English DT Article DE Titanium alkoxides; Colony forming cell; Pancreatic cancer; Lung cancer; Colon cancer ID TITANOCENE DICHLORIDE; ANTITUMOR METALLOCENES; RESISTANCE; COMPLEXES; PLATINUM AB A novel family of titanium alkoxides with two stable pyridinemethoxide moieties bound to a titanium metal center were synthesized and tested for cytotoxic activity on a variety of cancer cell lines using colony formation assays. One compound, (OPy)(2)Ti(4AP)(2), where OPy is NC5H5CH2O-, and 4AP is 4-aminophenoxide (-OC6H5(NH2)-4), demonstrated increased cytotoxicity in breast, colon, and pancreatic cancer cell lines at 100 nanomolar levels with only short exposures. Further, (OPy)(2)Ti(4AP)(2) had activity in colon and pancreatic cancer cell lines that are usually resistant to chemotherapy. This demonstrates that these titanium compounds may have a role in anti-cancer therapy, similar to platinum-based compounds, and the (OPy)(2)Ti(4AP)(2) compound specifically deserves further investigation as an anti-cancer agent in chemo-resistant solid tumors. C1 [Williamson, Elizabeth A.; Farrington, Jacqueline; Verschraegen, Claire; Shaheen, Montaser; Hromas, Robert] Univ New Mexico, Ctr Canc, Dept Internal Med, Albuquerque, NM 87131 USA. [Boyle, Timothy J.; Raymond, Rebecca] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Hromas, R (reprint author), Univ New Mexico, Ctr Canc, Dept Internal Med, 1201 Camino Salud, Albuquerque, NM 87131 USA. EM tjboyle@sandia.gov; rhromas@salud.unm.edu FU LLS [7388-06]; NIH [CA139429, CA100862, CA140442, HL075783]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences [DE-AC04-94AL85000] FX RH was supported by LLS 7388-06, NIH CA139429, NIH CA100862, NIH CA140442, and NIH HL075783. The authors also thank the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences under Contract DE-AC04-94AL85000. Sandia is a multiprogramming laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy NR 23 TC 3 Z9 3 U1 1 U2 12 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0167-6997 J9 INVEST NEW DRUG JI Invest. New Drugs PD FEB PY 2012 VL 30 IS 1 BP 114 EP 120 DI 10.1007/s10637-010-9530-3 PG 7 WC Oncology; Pharmacology & Pharmacy SC Oncology; Pharmacology & Pharmacy GA 876QC UT WOS:000299121500012 PM 20820908 ER PT J AU Kirkton, SD Hennessey, LE Duffy, B Bennett, MM Lee, WK Greenlee, KJ AF Kirkton, Scott D. Hennessey, Lauren E. Duffy, Bridget Bennett, Meghan M. Lee, Wah-Keat Greenlee, Kendra J. TI Intermolt development reduces oxygen delivery capacity and jumping performance in the American locust (Schistocerca americana) SO JOURNAL OF COMPARATIVE PHYSIOLOGY B-BIOCHEMICAL SYSTEMIC AND ENVIRONMENTAL PHYSIOLOGY LA English DT Article DE X-ray imaging; Ontogeny; Tracheae; Grasshopper; Insect ID MUSCLE CONTRACTILE PROPERTIES; TOBACCO HORNWORM; DESERT LOCUST; MANDUCA-SEXTA; ACID-BASE; GROWTH; ONTOGENY; HYPOXIA; GRASSHOPPERS; MECHANISM AB Among animals, insects have the highest mass-specific metabolic rates; yet, during intermolt development the tracheal respiratory system cannot meet the increased oxygen demand of older stage insects. Using locomotory performance indices, whole body respirometry, and X-ray imaging to visualize the respiratory system, we tested the hypothesis that due to the rigid exoskeleton, an increase in body mass during the intermolt period compresses the air-filled tracheal system, thereby, reducing oxygen delivery capacity in late stage insects. Specifically, we measured air sac ventilation frequency, size, and compressibility in both the abdomen and femur of early, middle, and late stage sixth instar Schistocerca americana grasshoppers. Our results show that late stage grasshoppers have a reduced air sac ventilation frequency in the femur and decreased convective capacities in the abdomen and femur. We also used X-ray images of the abdomen and femur to calculate the total proportion of tissue dedicated to respiratory structure during the intermolt period. We found that late stage grasshoppers had a lower proportion of their body dedicated to respiratory structures, especially air sacs, which convectively ventilate the tracheal system. These intermolt changes make oxygen delivery more challenging to the tissues, especially critical ones such as the jumping muscle. Indeed, late stage grasshoppers showed reduced jump frequencies compared to early stage grasshoppers, as well as decreased mass-specific CO(2) emission rates at 3 kPa PO(2). Our findings provide a mechanism to explain how body mass changes during the intermolt period reduce oxygen delivery capacity and alter an insect's life history. C1 [Kirkton, Scott D.; Hennessey, Lauren E.; Duffy, Bridget] Union Coll, Dept Biol Sci, Schenectady, NY 12308 USA. [Bennett, Meghan M.; Greenlee, Kendra J.] N Dakota State Univ, Dept Biol Sci, Fargo, ND 58108 USA. [Lee, Wah-Keat] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Kirkton, SD (reprint author), Union Coll, Dept Biol Sci, Schenectady, NY 12308 USA. EM kirktons@union.edu FU Union College; National Science Foundation [IOS-0953297]; National Institutes of Health from the National Center for Research Resources [2P20RR015566]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Support for this project was provided by the Union College Faculty Research Fund (SDK), National Science Foundation IOS-0953297 (KJG), and National Institutes of Health 2P20RR015566 from the National Center for Research Resources (KJG). The contents of this study are solely the responsibility of the authors and do not necessarily reflect the views of the NIH. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. We would also like to thank Leah Pepe and Kathryn Jackson for assistance with data collection. We would like thank the three anonymous reviewers for their helpful comments in improving the manuscript. NR 49 TC 5 Z9 5 U1 2 U2 12 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0174-1578 J9 J COMP PHYSIOL B JI J. Comp. Physiol. B-Biochem. Syst. Environ. Physiol. PD FEB PY 2012 VL 182 IS 2 BP 217 EP 230 DI 10.1007/s00360-011-0615-x PG 14 WC Physiology; Zoology SC Physiology; Zoology GA 879MC UT WOS:000299332400005 PM 21965137 ER PT J AU Leftwich, MC Tytell, ED Cohen, AH Smits, AJ AF Leftwich, Megan C. Tytell, Eric D. Cohen, Avis H. Smits, Alexander J. TI Wake structures behind a swimming robotic lamprey with a passively flexible tail SO JOURNAL OF EXPERIMENTAL BIOLOGY LA English DT Article DE flexibility; thrust production; anguilliform swimming; hydrodynamics; lamprey ID HYDRODYNAMIC TRAILS; MUSCLE-ACTIVITY; BODY STIFFNESS; FISH; LOCOMOTION; FIN; PROPULSION; THRUST; EEL; FORCES AB A robotic lamprey, based on the silver lamprey, Ichthyomyzon unicuspis, was used to investigate the influence of passive tail flexibility on the wake structure and thrust production during anguilliform swimming. A programmable microcomputer actuated 11 servomotors that produce a traveling wave along the length of the lamprey body. The waveform was based on kinematic studies of living lamprey, and the shape of the tail was taken from a computer tomography scan of the silver lamprey. The tail was constructed of flexible PVC gel, and nylon inserts were used to change its degree of flexibility. Particle image velocimetry measurements using three different levels of passive flexibility show that the large-scale structure of the wake is dominated by the formation of two pairs of vortices per shedding cycle, as seen in the case of a tail that flexed actively according to a pre-defined kinematic pattern, and did not bend in response to fluid forces. When the tail is passively flexible, however, the large structures are composed of a number of smaller vortices, and the wake loses coherence as the degree of flexibility increases. Momentum balance calculations indicate that, at a given tailbeat frequency, increasing the tail flexibility yields less net force, but changing the cycle frequency to match the resonant frequency of the tail increases the force production. C1 [Leftwich, Megan C.] Los Alamos Natl Lab, Neutron Sci & Technol Grp, Div Phys, Los Alamos, NM 87545 USA. [Tytell, Eric D.] Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA. [Cohen, Avis H.] Univ Maryland, Dept Biol, College Pk, MD 20742 USA. [Smits, Alexander J.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA. RP Leftwich, MC (reprint author), George Washington Univ, Dept Mech & Aerosp Engn, Washington, DC 20052 USA. EM mleftwich@gwu.edu RI Smits, Alexander/B-4083-2016 OI Smits, Alexander/0000-0002-3883-8648 FU National Institutes of Health [R01 NS054271] FX Financial support for this project was provided by the National Institutes of Health [grant R01 NS054271 to A. H. C.]. Deposited in PMC for release after 12 months. NR 34 TC 22 Z9 23 U1 1 U2 23 PU COMPANY OF BIOLOGISTS LTD PI CAMBRIDGE PA BIDDER BUILDING CAMBRIDGE COMMERCIAL PARK COWLEY RD, CAMBRIDGE CB4 4DL, CAMBS, ENGLAND SN 0022-0949 J9 J EXP BIOL JI J. Exp. Biol. PD FEB PY 2012 VL 215 IS 3 BP 416 EP 425 DI 10.1242/jeb.061440 PG 10 WC Biology SC Life Sciences & Biomedicine - Other Topics GA 879DP UT WOS:000299310200011 PM 22246250 ER PT J AU Williams, PT AF Williams, Paul T. TI Fifty-three year follow-up of coronary heart disease versus HDL2 and other lipoproteins in Gofman's Livermore Cohort SO JOURNAL OF LIPID RESEARCH LA English DT Article DE high density lipoproteins; risk factors; prevention ID MYOCARDIAL-INFARCTION; NONFASTING TRIGLYCERIDES; CARDIOVASCULAR-DISEASE; OVERWEIGHT MEN; RISK; SUBFRACTIONS; CHOLESTEROL; WOMEN; APOLIPOPROTEINS; LIPIDS AB To assess the relationships of lipoprotein mass concentrations to all-cause and coronary heart disease (CHD) mortality, we analyzed the prospective 53-year follow-up of 1,905 men measured for lipoprotein mass concentrations by analytic ultracentrifugation between 1954 and 1957. Cause of death was determined from medical records and death certificates before 1979 and from National Death Index death diagnoses thereafter. Of the 1,329 men (69.8%) who died through 2008, CHD was listed as a contributing cause of death for 409 men, including 113 deaths from premature CHD (age <= 65 years). When adjusted for age, the risk associated with the lowest HDL2 quartile increased 22% for all-cause (P = 0.001), 63% for total CHD (P < 10(-5)), and 117% for premature CHD mortality (P = 0.0001). When adjusted for standard risk factors (age, total cholesterol, blood pressure, BMI, smoking) and the lowest HDL3 quartile, the corresponding risk increases were 14% (P = 0.05), 38% (P = 0.004), and 62% (P = 0.02), respectively. Men with HDL3 <= 25th percentile had 28% greater total CHD risk (P = 0.03) and 71% greater premature CHD risk (P = 0.01). Higher LDL-mass concentrations increased total CHD risk by 3.8% (P < 10(-9)) and premature CHD risk by 6.1% (P < 10(-7)) per 10 mg/dl increase in concentration. Thus, low HDL2 is associated with increased CHD risk.-Williams, P. T. Fifty-three year follow-up of coronary heart disease versus HDL2 and other lipoproteins in Gofman's Livermore Cohort. J. Lipid Res. 2012. 53: 266-272. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Williams, PT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM ptwilliams@lbl.gov FU National Institute on Aging [AG72110] FX This work was supported by National Institute on Aging Grant AG72110. Its contents are solely the responsibility of the authors and do not necessarily represent the official views of the National Institutes of Health. NR 29 TC 13 Z9 15 U1 0 U2 5 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0022-2275 J9 J LIPID RES JI J. Lipid Res. PD FEB PY 2012 VL 53 IS 2 BP 266 EP 272 DI 10.1194/jlr.M019356 PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 879CL UT WOS:000299307200005 PM 22128321 ER PT J AU Howe, JY Boatner, LA Kolopus, JA Walker, LR Liang, CD Dudney, NJ Schaich, CR AF Howe, Jane Y. Boatner, Lynn A. Kolopus, James A. Walker, Larry R. Liang, Chengdu Dudney, Nancy J. Schaich, Charles R. TI Vacuum-tight sample transfer stage for a scanning electron microscopic study of stabilized lithium metal particles SO JOURNAL OF MATERIALS SCIENCE LA English DT Article AB A vacuum-tight transfer stage is described, that enables air or moisture sensitive specimens to be safely transferred from a protective environment, like that in a dry box, to a scanning electron microscope without exposing the sample to ambient conditions. The transfer stage concept described here is, in fact, applicable to the protected transfer of hygroscopic or air-sensitive samples to any vacuum-based analysis equipment where the transfer device opens automatically under vacuum to reveal the sample. This device concept is also applicable to the transfer of samples under vacuum from one glove box to another where the transfer chamber can be easily opened manually to reveal the sample. An example of one application of the device is provided by a controlled exposure study of stabilized lithium metal particles (SLMP) at various stages of shelf life. We found that a reaction coating formed on "fresh" SLMP after it was exposed to 100 Pa air for as short as 15 m. Such a reaction to air exposure was not observed on "aged" SLMP with a thickened carbonate surface coating after 4 and 6 months of shelf life. The case study of the surface coating on SLMP clearly demonstrated the excellent vacuum performance of the novel transfer stage. C1 [Howe, Jane Y.; Boatner, Lynn A.; Kolopus, James A.; Walker, Larry R.; Dudney, Nancy J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Liang, Chengdu] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Schaich, Charles R.] Oak Ridge Natl Lab, Div Measurement Sci & Syst Engn, Oak Ridge, TN 37831 USA. RP Howe, JY (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM howej@ornl.gov RI Howe, Jane/G-2890-2011; Liang, Chengdu/G-5685-2013; Boatner, Lynn/I-6428-2013; Dudney, Nancy/I-6361-2016 OI Boatner, Lynn/0000-0002-0235-7594; Dudney, Nancy/0000-0001-7729-6178 FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy (USDOE); Industrial Technologies Program (ITP); USDOE's Basic Energy Sciences, Materials Sciences and Engineering Division; Oak Ridge National Laboratory by the USDOE's Division of Scientific User Facilities FX This study was sponsored by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy (USDOE) through the Batteries for Advanced Transportation Technologies (BATT) Program and the Industrial Technologies Program (ITP). LAB and JAK were sponsored by the USDOE's Basic Energy Sciences, Materials Sciences and Engineering Division. The imaging using a Zeiss Merlin FE-SEM was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the USDOE's Division of Scientific User Facilities. NR 8 TC 3 Z9 3 U1 1 U2 12 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 FEB PY 2012 VL 47 IS 3 BP 1572 EP 1577 DI 10.1007/s10853-011-6029-z PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 876JR UT WOS:000299104300057 ER PT J AU Wang, C Mueller, F Engelmann, C Scott, SL AF Wang, Chao Mueller, Frank Engelmann, Christian Scott, Stephen L. TI Proactive process-level live migration and back migration in HPC environments SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING LA English DT Article DE Live migration; Back migration; Fault tolerance; High-performance computing; Health monitoring AB As the number of nodes in high-performance computing environments keeps increasing, faults are becoming common place. Reactive fault tolerance (FT) often does not scale due to massive I/O requirements and relies on manual job resubmission. This work complements reactive with proactive FT at the process level. Through health monitoring, a subset of node failures can be anticipated when one's health deteriorates. A novel process-level live migration mechanism supports continued execution of applications during much of process migration. This scheme is integrated into an MPI execution environment to transparently sustain health-inflicted node failures, which eradicates the need to restart and requeue MPI jobs. Experiments indicate that 1-6.5 s of prior warning are required to successfully trigger live process migration while similar operating system virtualization mechanisms require 13-24s. This self-healing approach complements reactive FT by nearly cutting the number of checkpoints in half when 70% of the faults are handled proactively. The work also provides a novel back migration approach to eliminate load imbalance or bottlenecks caused by migrated tasks. Experiments indicate the larger the amount of outstanding execution, the higher the benefit due to back migration. (C) 2011 Elsevier Inc. All rights reserved. C1 [Wang, Chao; Mueller, Frank] N Carolina State Univ, Dept Comp Sci, Raleigh, NC 27695 USA. [Engelmann, Christian; Scott, Stephen L.] Oak Ridge Natl Lab, Computat Sci & Math Div, Oak Ridge, TN 37831 USA. RP Mueller, F (reprint author), N Carolina State Univ, Dept Comp Sci, Raleigh, NC 27695 USA. EM mueller@cs.ncsu.edu RI novacescu, florica/B-4503-2011 OI novacescu, florica/0000-0001-5561-4956 FU NSF [CCR-0237570, CNS-0410203, CCF-0429653, CNS-1058779]; DOE [DE-FG02-08ER25837, DE-FG02-05ER25664, DE-AC05-00OR22725]; Office of Advanced Scientific Computing Research; UT-Battelle, LLC. FX This work was supported in part by NSF grants CCR-0237570 (CAREER), CNS-0410203, CCF-0429653, CNS-1058779, DOE DE-FG02-08ER25837 and DOE DE-FG02-05ER25664. The research at ORNL was supported by Office of Advanced Scientific Computing Research and DOE DE-AC05-00OR22725 with UT-Battelle, LLC. NR 76 TC 9 Z9 9 U1 1 U2 12 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0743-7315 EI 1096-0848 J9 J PARALLEL DISTR COM JI J. Parallel Distrib. Comput. PD FEB PY 2012 VL 72 IS 2 BP 254 EP 267 DI 10.1016/j.jpdc.2011.10.009 PG 14 WC Computer Science, Theory & Methods SC Computer Science GA 876WR UT WOS:000299139000014 ER PT J AU Kravets, VV Yeshchenko, OA Gozhenko, VV Ocola, LE Smith, DA Vedral, JV Pinchuk, AO AF Kravets, Vira V. Yeshchenko, Oleg A. Gozhenko, Victor V. Ocola, Leonidas E. Smith, David A. Vedral, James V. Pinchuk, Anatoliy O. TI Electrodynamic coupling in regular arrays of gold nanocylinders SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID ENHANCED RAMAN-SPECTROSCOPY; PLASMON RESONANCE; NEAR-FIELD; NANOPARTICLE ARRAYS; OPTICAL-PROPERTIES; SCATTERING; LIGHT; ABSORPTION; INDEX; FILMS AB We report far-field experimental optical extinction spectra of linear chains of gold nanocylinders with interparticle separations close to the particle's surface plasmon resonance (SPR) wavelength lambda(SPR). The spectra reveal non-monotonic shift of the SPR peak position with increase in the distance d. The non-monotonic lambda(SPR)(d) dependence is rationalized considering electromagnetic coupling between the particles in the dipole approximation. Simple expressions for the modified SPR frequencies are obtained using the dipole scattered field and taking into account both the retardation and phase lag effects. C1 [Kravets, Vira V.; Gozhenko, Victor V.; Smith, David A.; Vedral, James V.; Pinchuk, Anatoliy O.] Univ Colorado, Dept Phys & Energy Sci, Colorado Springs, CO 80933 USA. [Kravets, Vira V.; Yeshchenko, Oleg A.] Natl Taras Shevchenko Kyiv Univ, Dept Phys, UA-03127 Kiev, Ukraine. [Ocola, Leonidas E.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Kravets, VV (reprint author), Univ Colorado, Dept Phys & Energy Sci, 1420 Austin Bluffs Pkwy, Colorado Springs, CO 80933 USA. OI Ocola, Leonidas/0000-0003-4990-1064 FU NSF [DMR-0907614]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors acknowledge financial support from the NSF (Grant # DMR-0907614). Use of the Center for Nanoscale Materials was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No DE-AC02-06CH11357 (CNM proposal 1112). NR 54 TC 4 Z9 4 U1 1 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD FEB 1 PY 2012 VL 45 IS 4 AR 045102 DI 10.1088/0022-3727/45/4/045102 PG 8 WC Physics, Applied SC Physics GA 879JE UT WOS:000299324700002 ER PT J AU Bond, LJ AF Bond, Leonard J. TI Moving Beyond Nondestructive Examination to Proactive Management of Materials Degradation SO JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article ID PROGNOSTICS AB There is growing interest in life extensions to enable longer term operation (LTO) for both existing nuclear power plants (NPPs) and proposed new NPPs. In order to justify an initial license extension for the 40-60 yr period, new nondestructive examination (NDE) approaches have been developed and deployed by NPP operators in their aging management programs. However, to achieve the goals of even longer term operation, and specifically for the United States in looking at methodologies to support subsequent license renewal periods (i.e., 60-80 yr and beyond), it is necessary to understand the capabilities of current NDE methods to detect, monitor, and trend degradation and hence enable timely implementation of appropriate mitigation and corrective actions. This paper discusses insights from past experience, the state-of-the-art, and current activities in the move toward providing a capacity for proactive management of materials degradation to support NPP LTO. [DOI: 10.1115/1.4005056] C1 Pacific NW Natl Lab, Natl Secur Directorate, Appl Phys Grp, Richland, WA 99352 USA. RP Bond, LJ (reprint author), Pacific NW Natl Lab, Natl Secur Directorate, Appl Phys Grp, Richland, WA 99352 USA. EM leonard.bond@pnnl.gov FU U.S. Nuclear Regulatory Commission FX The work described in this paper was in part supported by the U.S. Nuclear Regulatory Commission and performed at the Pacific Northwest National Laboratory, a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy. NR 34 TC 2 Z9 2 U1 0 U2 6 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 FEB PY 2012 VL 134 IS 1 AR 014501 DI 10.1115/1.4005056 PG 8 WC Engineering, Mechanical SC Engineering GA 868RH UT WOS:000298541400022 ER PT J AU Liu, HT Hovanski, Y Dahl, ME AF Liu, H-T Hovanski, Y. Dahl, M. E. TI Machining of Aircraft Titanium With Abrasive-Waterjets for Fatigue Critical Applications SO JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article DE abrasive-waterjets; aircraft metals; dog-bone specimens; fatigue performance; residual compressive stresses; surface roughness; striations; waterjet technology ID METALS; SURFACE AB Laboratory tests were conducted to determine the fatigue performance of abrasive-waterjet- (AWJ-) machined aircraft titanium. Dog-bone specimens machined with AWJs were prepared and tested with and without sanding and dry-grit blasting with Al(2)O(3) as the secondary processes. The secondary processes were applied to remove the visual appearance of AWJ-generated striations and to clean up the garnet embedment. The fatigue performance of AWJ-machined specimens was compared with baseline specimens machined with Computer Numerical Control (CNC) milling. Fatigue test results of the titanium specimens not only confirmed our previous findings in aluminum dog-bone specimens but also further enhanced the fatigue performance of the titanium. In addition, titanium is known to be difficult to cut, particularly for thick parts, however, AWJs cut the material 34% faster than stainless steel. AWJ cutting and dry-grit blasting are shown to be a preferred combination for processing aircraft titanium that is fatigue critical. [DOI: 10.1115/1.4004834] C1 [Liu, H-T] OMAX Corp, Kent, WA 98006 USA. [Hovanski, Y.; Dahl, M. E.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Liu, HT (reprint author), OMAX Corp, Kent, WA 98006 USA. NR 16 TC 0 Z9 0 U1 1 U2 10 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 FEB PY 2012 VL 134 IS 1 AR 011405 DI 10.1115/1.4004834 PG 10 WC Engineering, Mechanical SC Engineering GA 868RH UT WOS:000298541400018 ER PT J AU Taylor, DJ Watkins, TR Hubbard, CR Hill, MR Meith, WA AF Taylor, D. J. Watkins, T. R. Hubbard, C. R. Hill, M. R. Meith, W. A. TI Residual Stress Measurements of Explosively Clad Cylindrical Pressure Vessels SO JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article DE autofrettage; residual stress; neutron diffraction; slitting; explosively clad AB Tantalum refractory liners were explosively clad into cylindrical pressure vessels, some of which had been previously autofrettaged. Using explosive cladding, the refractory liner formed a metallurgical bond with the steel of the pressure vessel at a cost of induced strain. Two techniques were employed to determine the residual stress state of the clad steel cylinders: neutron diffraction and mechanical slitting. Neutron diffraction is typically nondestructive; however, due to attenuation along the beam path, the cylinders had to be sectioned into rings that were nominally 25 mm thick. Slitting is a destructive method, requiring the sectioning of the cylindrical samples. Both techniques provided triaxial stress data and useful information on the effects of explosive cladding. The stress profiles in the hoop and radial directions were similar for an autofrettaged, nonclad vessel and a clad, nonautofrettaged vessel. The stress profiles in the axial direction appeared to be different. Further, the data suggested that residual stresses from the autofrettage and explosive cladding processes were not additive, in part due to evidence of reverse yielding. The residual stress data are presented, compared and discussed. [DOI: 10.1115/1.4004615] C1 [Taylor, D. J.] TPL Inc, Albuquerque, NM 87109 USA. [Hubbard, C. R.] Oak Ridge Natl Lab, Div Mat Sci & Technol, High Temp Mat Lab, Oak Ridge, TN 37831 USA. [Hill, M. R.] Univ Calif Davis, Davis, CA 95616 USA. [Meith, W. A.] LLC, Hill Engn, Rancho Cordova, CA 95670 USA. RP Taylor, DJ (reprint author), TPL Inc, 3921 Acad Pkwy N, Albuquerque, NM 87109 USA. EM dtaylor@tplinc.com; watkinstr@ornl.gov; hubbardcr@ornl.gov; mrhill@ucdavis.edu; wameith@hill-engineering.com RI Watkins, Thomas/D-8750-2016; Hill, Michael/A-2525-2016 OI Watkins, Thomas/0000-0002-2646-1329; Hill, Michael/0000-0002-9168-211X FU NAVSEA through SBIR [N00024-04-C-4126]; U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy; Oak Ridge National Laboratory's High Temperature Materials Laboratory; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; UT-Battelle, LLC [AC05-00OR22725]; U.S. Department of Energy FX Much of this research was sponsored by NAVSEA under contract #N00024-04-C-4126 through the SBIR program. The authors recognize Robert Lowey, Andre Kashierski and Lanny Doughty for their work in preparing the samples. Research at the 2nd Generation Neutron Residual Stress Mapping Facility at the High Flux Isotope Reactor was partially sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Program, through the Oak Ridge National Laboratory's High Temperature Materials Laboratory User Program and by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy.; This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 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 nonexclusive, 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 12 TC 3 Z9 3 U1 2 U2 6 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 FEB PY 2012 VL 134 IS 1 AR 011501 DI 10.1115/1.4004615 PG 8 WC Engineering, Mechanical SC Engineering GA 868RH UT WOS:000298541400019 ER PT J AU Zhang, T Brust, FW Wilkowski, G Shim, DJ Nie, J Hofmayer, CH Ali, SA AF Zhang, Tao Brust, Frederick W. Wilkowski, Gery Shim, Do-Jun Nie, Jinsuo Hofmayer, Charles H. Ali, Syed A. TI Numerical Analysis of JNES Seismic Tests on Degraded Combined Piping System SO JOURNAL OF PRESSURE VESSEL TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article DE seismic analysis; piping system; cracked-pipe element; crack growth; experimental validation; fatigue damage AB Nuclear power plant safety under seismic conditions is an important consideration. The piping systems may have some defects caused by fatigue, stress corrosion cracking, etc., in aged plants. These cracks may not only affect the seismic response but also grow and break through causing loss of coolant. Therefore, an evaluation method needs to be developed to predict crack growth behavior under seismic excitation. This paper describes efforts conducted to analyze and better understand a series of degraded pipe tests under seismic loading that was conducted by Japan Nuclear Energy Safety Organization (JNES). A special "cracked-pipe element" (CPE) concept, where the element represented the global moment-rotation response due to the crack, was developed. This approach was developed to significantly simplify the dynamic finite element analysis in fracture mechanics fields. In this paper, model validation was conducted by comparisons with a series of pipe tests with circumferential through-wall and surface cracks under different excitation conditions. These analyses showed that reasonably accurate predictions could be made using the abaqus connector element to model the complete transition of a circumferential surface crack to a through-wall crack under cyclic dynamic loading. The JNES primary loop recirculation piping test was analyzed in detail. This combined-component test had three crack locations and multiple applied simulated seismic block loadings. Comparisons were also made between the ABAQUS finite element (FE) analyses results to the measured displacements in the experiment. Good agreement was obtained, and it was confirmed that the simplified modeling is applicable to a seismic analysis for a cracked pipe on the basis of fracture mechanics. Pipe system leakage did occur in the JNES tests. The analytical predictions using the CPE approach did not predict leakage, suggesting that cyclic ductile tearing with large-scale plasticity was not the crack growth mode for the acceleration excitations considered here. Hence, the leakage was caused by low-cycle fatigue with small-scale yielding. The procedure used to make predictions of low-cycle fatigue crack growth with small-scale yielding was based on the Dowling Delta J procedure, which is an extension of linear-elastic fatigue crack growth methodology into the nonlinear plasticity region. The predicted moments from the CPE approach were used using a cycle-by-cycle crack growth procedure. The predictions compare quite well with the experimental measurements. [DOI: 10.1115/1.4005055] C1 [Zhang, Tao; Brust, Frederick W.; Wilkowski, Gery; Shim, Do-Jun] Engn Mech Corp Columbus, Columbus, OH 43221 USA. [Nie, Jinsuo; Hofmayer, Charles H.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Ali, Syed A.] US Nucl Regular Commiss, Off Nucl Regulatory Res, Div Engn, Rockville, MD 20852 USA. RP Zhang, T (reprint author), Engn Mech Corp Columbus, 3518 Riverside Dr,Suite 202, Columbus, OH 43221 USA. EM tzhang@emc-sq.com FU US NRC; Brookhaven National Laboratory FX The authors would like to thank US NRC and Brookhaven National Laboratory for their support of this work. All the test results and information about the test models for the JNES degraded piping tests used in this paper were provided by JNES and are greatly appreciated. NR 11 TC 1 Z9 1 U1 0 U2 11 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 FEB PY 2012 VL 134 IS 1 AR 011801 DI 10.1115/1.4005055 PG 12 WC Engineering, Mechanical SC Engineering GA 868RH UT WOS:000298541400021 ER PT J AU Graham, J Landsberger, S Ferreira, PJ Ihlefeld, J Brennecka, G AF Graham, J. Landsberger, S. Ferreira, P. J. Ihlefeld, J. Brennecka, G. TI Neutron flux characterization techniques for radiation effects studies SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Neutron flux; Radiation effects; Activation; Foils ID ORTHONORMAL EXPANSION; SPECTRA AB In the field of radiation effects in materials, a detailed and precise description of the radiation environment used to damage samples is often required to make sense of subsequent materials analysis. The types of reactions and extent of damage that occur during irradiation strongly depend on the flux spectrum of the particular facility. Different neutron activation techniques for characterizing neutron flux spectra were performed on the University of Texas at Austin TRIGA research reactor's in-core facilities. The results were compared in terms of spectral detail and precision. Activation of Au foils with multiple correction factors, and multiple foil activation employing different deconvolution techniques comprise the methods tested. C1 [Graham, J.; Landsberger, S.] Univ Texas Austin, Nucl Engn Teaching Lab, Austin, TX 78712 USA. [Ferreira, P. J.] Univ Texas Austin, Mat Sci & Engn Program, Austin, TX 78712 USA. [Ihlefeld, J.; Brennecka, G.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Landsberger, S (reprint author), Univ Texas Austin, Nucl Engn Teaching Lab, R-9000, Austin, TX 78712 USA. EM s.landsberger@mail.utexas.edu RI Ihlefeld, Jon/B-3117-2009; Brennecka, Geoff/J-9367-2012 OI Brennecka, Geoff/0000-0002-4476-7655 FU National Institute of Nano Engineering; Sandia National Laboratories; U.S. Department of Energy [DE-AC04-94AL85000] FX This work is supported, in part, by the National Institute of Nano Engineering and the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy under contract DE-AC04-94AL85000. NR 6 TC 1 Z9 1 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 FEB PY 2012 VL 291 IS 2 BP 503 EP 507 DI 10.1007/s10967-011-1270-0 PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA 873DY UT WOS:000298862400039 ER PT J AU Alexanderian, A Le Maitre, OP Najm, HN Iskandarani, M Knio, OM AF Alexanderian, Alen Le Maitre, Oliver P. Najm, Habib N. Iskandarani, Mohamed Knio, Omar M. TI Multiscale Stochastic Preconditioners in Non-intrusive Spectral Projection SO JOURNAL OF SCIENTIFIC COMPUTING LA English DT Article DE Polynomial chaos; Stochastic preconditioner; Non-intrusive spectral projection; Uncertain dynamical system; Stretched measure ID PARTIAL-DIFFERENTIAL-EQUATIONS; GENERALIZED POLYNOMIAL CHAOS; RANDOM INPUT DATA; UNCERTAINTY QUANTIFICATION; COLLOCATION METHOD; CHEMICAL-SYSTEMS; CSP METHOD; INTEGRATION; EXPANSIONS; SCHEMES AB A preconditioning approach is developed that enables efficient polynomial chaos (PC) representations of uncertain dynamical systems. The approach is based on the definition of an appropriate multiscale stretching of the individual components of the dynamical system which, in particular, enables robust recovery of the unscaled transient dynamics. Efficient PC representations of the stochastic dynamics are then obtained through non-intrusive spectral projections of the stretched measures. Implementation of the present approach is illustrated through application to a chemical system with large uncertainties in the reaction rate constants. Computational experiments show that, despite the large stochastic variability of the stochastic solution, the resulting dynamics can be efficiently represented using sparse low-order PC expansions of the stochastic multiscale preconditioner and of stretched variables. The present experiences are finally used to motivate several strategies that promise to yield further advantages in spectral representations of stochastic dynamics. C1 [Alexanderian, Alen; Knio, Omar M.] Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA. [Le Maitre, Oliver P.] LIMSI CNRS, F-91403 Orsay, France. [Najm, Habib N.] Sandia Natl Labs, Livermore, CA 94551 USA. [Iskandarani, Mohamed] Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Miami, FL 33149 USA. RP Knio, OM (reprint author), Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA. EM knio@jhu.edu RI Le Maitre, Olivier/D-8570-2011; alexanderian, alen/L-2124-2014 OI Le Maitre, Olivier/0000-0002-3811-7787; FU US Department of Energy, Office of Advanced Scientific Computing Research [DE-SC0001980]; Office of Naval Research [N00014-10-1-0498]; French National Research Agency [ANR-08-JCJC-0022]; US Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; US DOE [DE-AC04-94-AL85000] FX Research supported by the US Department of Energy, Office of Advanced Scientific Computing Research under Award DE-SC0001980 (AA, OMK), by Office of Naval Research under Award N00014-10-1-0498 (AA, OMK, MI), and by the French National Research Agency Grant ANR-08-JCJC-0022 (OLM). HNN acknowledges the support of the US Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US DOE under contract DE-AC04-94-AL85000. NR 45 TC 7 Z9 7 U1 0 U2 1 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0885-7474 EI 1573-7691 J9 J SCI COMPUT JI J. Sci. Comput. PD FEB PY 2012 VL 50 IS 2 BP 306 EP 340 DI 10.1007/s10915-011-9486-2 PG 35 WC Mathematics, Applied SC Mathematics GA 875AO UT WOS:000299001800004 ER PT J AU Mann, DGJ LaFayette, PR Abercrombie, LL King, ZR Mazarei, M Halter, MC Poovaiah, CR Baxter, H Shen, H Dixon, RA Parrott, WA Stewart, CN AF Mann, David G. J. LaFayette, Peter R. Abercrombie, Laura L. King, Zachary R. Mazarei, Mitra Halter, Mathew C. Poovaiah, Charleson R. Baxter, Holly Shen, Hui Dixon, Richard A. Parrott, Wayne A. Stewart, C. Neal, Jr. TI Gateway-compatible vectors for high-throughput gene functional analysis in switchgrass (Panicum virgatum L.) and other monocot species SO PLANT BIOTECHNOLOGY JOURNAL LA English DT Article DE switchgrass; DNA vector; transformation; Agrobacterium; bombardment; bioenergy; monocot ID AGROBACTERIUM-MEDIATED TRANSFORMATION; TRANSGENIC RICE PLANTS; RED FLUORESCENT PROTEIN; BINARY VECTORS; TRANSIENT EXPRESSION; PARTICLE BOMBARDMENT; UBIQUITIN PROMOTER; SELECTABLE MARKER; CEREALS; SYSTEM AB Switchgrass (Panicum virgatum L.) is a C4 perennial grass and has been identified as a potential bioenergy crop for cellulosic ethanol because of its rapid growth rate, nutrient use efficiency and widespread distribution throughout North America. The improvement of bioenergy feedstocks is needed to make cellulosic ethanol economically feasible, and genetic engineering of switchgrass is a promising approach towards this goal. A crucial component of creating transgenic switchgrass is having the capability of transforming the explants with DNA sequences of interest using vector constructs. However, there are limited options with the monocot plant vectors currently available. With this in mind, a versatile set of Gateway-compatible destination vectors (termed pANIC) was constructed to be used in monocot plants for transgenic crop improvement. The pANIC vectors can be used for transgene overexpression or RNAi-mediated gene suppression. The pANIC vector set includes vectors that can be utilized for particle bombardment or Agrobacterium-mediated transformation. All the vectors contain (i) a Gateway cassette for overexpression or silencing of the target sequence, (ii) a plant selection cassette and (iii) a visual reporter cassette. The pANIC vector set was functionally validated in switchgrass and rice and allows for high-throughput screening of sequences of interest in other monocot species as well. C1 [Mann, David G. J.; Abercrombie, Laura L.; Mazarei, Mitra; Halter, Mathew C.; Poovaiah, Charleson R.; Baxter, Holly; Stewart, C. Neal, Jr.] Univ Tennessee, Dept Plant Sci, Knoxville, TN USA. [LaFayette, Peter R.; Parrott, Wayne A.] Univ Georgia, Dept Crop & Soil Sci, Athens, GA 30602 USA. [LaFayette, Peter R.; King, Zachary R.; Parrott, Wayne A.] Univ Georgia, Inst Plant Breeding Genet & Genom, Athens, GA 30602 USA. [Shen, Hui; Dixon, Richard A.] Samuel Roberts Noble Fdn Inc, Div Plant Biol, Ardmore, OK USA. [Mann, David G. J.; LaFayette, Peter R.; Abercrombie, Laura L.; King, Zachary R.; Mazarei, Mitra; Poovaiah, Charleson R.; Baxter, Holly; Shen, Hui; Dixon, Richard A.; Parrott, Wayne A.; Stewart, C. Neal, Jr.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN USA. RP Mann, DGJ (reprint author), Dow AgroSci LLC, Discovery Res, Portland, OR 97224 USA. EM DGMann@dow.com RI 李, 涵/B-4995-2012; Poovaiah, Charleson/C-6777-2012; OI Poovaiah, Charleson/0000-0001-7157-5176 FU Bioenergy Science Center; Office of Biological and Environmental Research in the DOE Office of Science FX This work was supported by the Bioenergy Science Center. The BioEnergy Science Center is a US Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. NR 63 TC 28 Z9 29 U1 5 U2 45 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1467-7644 J9 PLANT BIOTECHNOL J JI Plant Biotechnol. J. PD FEB PY 2012 VL 10 IS 2 BP 226 EP 236 DI 10.1111/j.1467-7652.2011.00658.x PG 11 WC Biotechnology & Applied Microbiology; Plant Sciences SC Biotechnology & Applied Microbiology; Plant Sciences GA 872BM UT WOS:000298781400010 PM 21955653 ER PT J AU Dimonte, G Bergstralh, EJ Bolander, ME Karnes, RJ Tindall, DJ AF Dimonte, Guy Bergstralh, E. J. Bolander, M. E. Karnes, R. J. Tindall, D. J. TI Use of tumor dynamics to clarify the observed variability among biochemical recurrence nomograms for prostate cancer SO PROSTATE LA English DT Article DE prostate cancer; recurrence nomograms; cell kinetics model; individualized medicine ID RADICAL PROSTATECTOMY; ANTIGEN RECURRENCE; RADIATION-THERAPY; MORTALITY; RISK; PROBABILITY AB BACKGROUND Nomograms for biochemical recurrence (BCR) of prostate cancer (PC) after radical prostatectomy can yield very different prognoses for individual patients. Since the nomograms are optimized on different cohorts, the variations may be due to differences in patient risk-factor distributions. In addition, the nomograms assign different relative scores to the same PC risk factors and rarely stratify for tumor growth rate. C1 [Dimonte, Guy] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Bergstralh, E. J.; Bolander, M. E.; Karnes, R. J.; Tindall, D. J.] Mayo Clin, Rochester, MN USA. RP Dimonte, G (reprint author), Los Alamos Natl Lab, B259, Los Alamos, NM 87545 USA. EM dimonte@lanl.gov FU U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA2-5396]; National Cancer Institute [CA91956-09] FX Grant sponsor: U.S. Department of Energy at Los Alamos National Laboratory; Grant number: DE-AC52-06NA2-5396; Grant sponsor: National Cancer Institute; Grant number: CA91956-09. NR 14 TC 3 Z9 3 U1 0 U2 4 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0270-4137 J9 PROSTATE JI Prostate PD FEB PY 2012 VL 72 IS 3 BP 280 EP 290 DI 10.1002/pros.21429 PG 11 WC Endocrinology & Metabolism; Urology & Nephrology SC Endocrinology & Metabolism; Urology & Nephrology GA 873WR UT WOS:000298915200005 PM 21630294 ER PT J AU Borden, AK Brusseau, ML Carroll, KC McMillan, A Akyol, NH Berkompas, J Miao, ZH Jordan, F Tick, G Waugh, WJ Glenn, EP AF Borden, Andrew K. Brusseau, Mark L. Carroll, K. C. McMillan, Andrew Akyol, Nihat H. Berkompas, Justin Miao, Ziheng Jordan, Fiona Tick, Geoff Waugh, W. Jody Glenn, Ed P. TI Ethanol Addition for Enhancing Denitrification at the Uranium Mill Tailing Site in Monument Valley, AZ SO WATER AIR AND SOIL POLLUTION LA English DT Article DE Groundwater quality; Natural attenuation; Denitrification; Enhanced bioremediation; Stable isotopes ID IN-GROUND WATER; CONTAMINATED AQUIFER; NITRATE CONTAMINATION; TRACER TEST; ATTENUATION; BIOREMEDIATION; ISOTOPE; SOIL; BIODEGRADATION; SYSTEM AB Past mining and processing of uranium ore at a former uranium mining site near Monument Valley, AZ has resulted in nitrate contamination of groundwater. The objective of this study was to investigate the potential of ethanol addition for enhancing the reduction of nitrate in groundwater. The results of two pilot-scale field tests showed that the concentration of nitrate decreased, while the concentration of nitrous oxide (a product of denitrification) increased. In addition, changes in aqueous concentrations of sulfate, iron, and manganese indicated that the ethanol amendment caused a change in prevailing redox conditions. The results of compound-specific stable isotope analysis for nitrate-nitrogen indicated that the nitrate concentration reductions were biologically mediated. Denitrification rate coefficients estimated for the pilot tests were approximately 50 times larger than resident-condition (non-enhanced) values obtained from prior characterization studies conducted at the site. The nitrate concentrations in the injection zone have remained at levels three orders of magnitude below the initial values for many months, indicating that the ethanol amendments had a long-term impact on the local subsurface environment. C1 [Borden, Andrew K.; Brusseau, Mark L.; McMillan, Andrew; Akyol, Nihat H.; Berkompas, Justin; Miao, Ziheng; Jordan, Fiona; Glenn, Ed P.] Univ Arizona, Dept Soil Water & Environm Sci, Tucson, AZ 85721 USA. [Brusseau, Mark L.; Miao, Ziheng] Univ Arizona, Dept Hydrol & Water Resources, Tucson, AZ 85721 USA. [Carroll, K. C.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Waugh, W. Jody] SM Stoller Corp, Grand Junction, CO USA. [Tick, Geoff] Univ Alabama, Dept Geol, Tuscaloosa, AL 35487 USA. RP Brusseau, ML (reprint author), Univ Arizona, Dept Soil Water & Environm Sci, 429 Shantz Bldg 38,POB 210038, Tucson, AZ 85721 USA. EM brusseau@email.arizona.edu RI Carroll, Kenneth/H-5160-2011 OI Carroll, Kenneth/0000-0003-2097-9589 FU Department of Energy; S.M. Stoller Incorporated FX This research was funded by the Department of Energy. We thank S.M. Stoller Incorporated for their invaluable support and collaboration. We thank the students of the Contaminant Transport Laboratory for their help in conducting the test and in assisting in the compiling and analysis of data. NR 31 TC 8 Z9 8 U1 1 U2 12 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0049-6979 J9 WATER AIR SOIL POLL JI Water Air Soil Pollut. PD FEB PY 2012 VL 223 IS 2 BP 755 EP 763 DI 10.1007/s11270-011-0899-1 PG 9 WC Environmental Sciences; Meteorology & Atmospheric Sciences; Water Resources SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences; Water Resources GA 876VY UT WOS:000299137000023 ER PT J AU Berger, A Parekh, O AF Berger, Andre Parekh, Ojas TI Linear Time Algorithms for Generalized Edge Dominating Set Problems (vol 50, pg 244, 2008) SO ALGORITHMICA LA English DT Correction C1 [Berger, Andre] Maastricht Univ, Dept Quantitat Econ, NL-6200 MD Maastricht, Netherlands. [Parekh, Ojas] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Berger, A (reprint author), Maastricht Univ, Dept Quantitat Econ, POB 616, NL-6200 MD Maastricht, Netherlands. EM a.berger@maastrichtuniversity.nl; odparek@sandia.gov NR 1 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0178-4617 J9 ALGORITHMICA JI Algorithmica PD FEB PY 2012 VL 62 IS 1-2 BP 633 EP 634 DI 10.1007/s00453-011-9558-6 PG 2 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA 866NQ UT WOS:000298388200028 ER PT J AU Malinouski, M Kehr, S Finney, L Vogt, S Carlson, BA Seravalli, J Jin, R Handy, DE Park, TJ Loscalzo, J Hatfield, DL Gladyshev, VN AF Malinouski, Mikalai Kehr, Sebastian Finney, Lydia Vogt, Stefan Carlson, Bradley A. Seravalli, Javier Jin, Richard Handy, Diane E. Park, Thomas J. Loscalzo, Joseph Hatfield, Dolph L. Gladyshev, Vadim N. TI High-Resolution Imaging of Selenium in Kidneys: A Localized Selenium Pool Associated with Glutathione Peroxidase 3 SO ANTIOXIDANTS & REDOX SIGNALING LA English DT Article ID NAKED MOLE-RAT; PREVENTION TRIAL SELECT; TUBULE CELLS; VITAMIN-E; CANCER; MOUSE; SPERMATOGENESIS; SELENOPROTEINS; SELENOCYSTEINE; RESISTANCE AB Aim: Recent advances in quantitative methods and sensitive imaging techniques of trace elements provide opportunities to uncover and explain their biological roles. In particular, the distribution of selenium in tissues and cells under both physiological and pathological conditions remains unknown. In this work, we applied high-resolution synchrotron X-ray fluorescence microscopy (XFM) to map selenium distribution in mouse liver and kidney. Results: Liver showed a uniform selenium distribution that was dependent on selenocysteine tRNA([Ser]Sec) and dietary selenium. In contrast, kidney selenium had both uniformly distributed and highly localized components, the latter visualized as thin circular structures surrounding proximal tubules. Other parts of the kidney, such as glomeruli and distal tubules, only manifested the uniformly distributed selenium pattern that co-localized with sulfur. We found that proximal tubule selenium localized to the basement membrane. It was preserved in Selenoprotein P knockout mice, but was completely eliminated in glutathione peroxidase 3 (GPx3) knockout mice, indicating that this selenium represented GPx3. We further imaged kidneys of another model organism, the naked mole rat, which showed a diminished uniformly distributed selenium pool, but preserved the circular proximal tubule signal. Innovation: We applied XFM to image selenium in mammalian tissues and identified a highly localized pool of this trace element at the basement membrane of kidneys that was associated with GPx3. Conclusion: XFM allowed us to define and explain the tissue topography of selenium in mammalian kidneys at submicron resolution. Antioxid. Redox Signal. 16, 185-192. C1 [Gladyshev, Vadim N.] Harvard Univ, Sch Med, Dept Med, Boston, MA 02115 USA. [Malinouski, Mikalai; Jin, Richard; Handy, Diane E.; Loscalzo, Joseph; Gladyshev, Vadim N.] Brigham & Womens Hosp, Dept Med, Boston, MA 02115 USA. [Malinouski, Mikalai; Kehr, Sebastian; Seravalli, Javier] Univ Nebraska, Dept Biochem, Lincoln, NE 68583 USA. [Finney, Lydia; Vogt, Stefan] Argonne Natl Lab, X Ray Sci Div, Argonne, IL 60439 USA. [Finney, Lydia] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Carlson, Bradley A.; Hatfield, Dolph L.] NCI, Mol Biol Selenium Sect, Lab Canc Prevent, Ctr Canc Res,NIH, Bethesda, MD 20892 USA. [Park, Thomas J.] Univ Illinois, Dept Biol Sci, Chicago, IL 60680 USA. RP Gladyshev, VN (reprint author), Harvard Univ, Sch Med, Dept Med, New Res Bldg,Room 435,77 Ave Louis Pasteur, Boston, MA 02115 USA. EM vgladyshev@rics.bwh.harvard.edu RI Gladyshev, Vadim/A-9894-2013; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013 OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513 FU National Institutes of Health [GM061603, CA080946, HL061795, HL070819, HL048743]; National Institutes of Health, National Cancer Institute, Center for Cancer Research; U.S. DOE [DE-AC02-06CH11357] FX We thank Drs. Raymond Burk and Kristina Hill (Vanderbilt University) for providing tissues of SelP knockout mice. This work was supported by National Institutes of Health grants to VNG (GM061603 and CA080946) and JL (HL061795, HL070819, and HL048743), and the Intramural Research Program of the National Institutes of Health, National Cancer Institute, Center for Cancer Research, to DLH. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 33 TC 22 Z9 22 U1 3 U2 11 PU MARY ANN LIEBERT INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1523-0864 J9 ANTIOXID REDOX SIGN JI Antioxid. Redox Signal. PD FEB PY 2012 VL 16 IS 3 BP 185 EP 192 DI 10.1089/ars.2011.3997 PG 8 WC Biochemistry & Molecular Biology; Endocrinology & Metabolism SC Biochemistry & Molecular Biology; Endocrinology & Metabolism GA 863HM UT WOS:000298153400001 PM 21854231 ER PT J AU Nordman, B Granderson, J Cunningham, K AF Nordman, Bruce Granderson, Jessica Cunningham, Kelly TI Standardization of user interfaces for lighting controls SO COMPUTER STANDARDS & INTERFACES LA English DT Article DE Lighting controls; User interfaces; Standards; Symbols; Indicators; Concepts AB Standardization of human-machine interfaces has proved beneficial in a number of technology areas. Lighting control is a home and office technology that is of central importance in energy efficiency and could potentially benefit from standardization, which has proved beneficial in a number of technology domains. User interfaces enable and structure communication to and from devices, however when this communication is not understood, there is increasing loss of amenity to the user - in not getting the services they want and potential compromise in efficiency. Standard user interfaces can help ensure the best possible outcome for communication. This paper presents a summary of initial research on content for a global standard for lighting control user interfaces. A review of potentially relevant industry standards confirmed that there is no existing standard that covers this topic area, though many standards are related, including those covering symbols, indicators/actuators, generic user interface issues, accessibility, user interface content common to other energy concerns, and terminology. We surveyed many existing products, from simple switches, to those with many buttons, to those using graphic display technology. We describe a classification scheme for the entire 'form' of the control, catalogued the use of specific "elements" in the interfaces, and extracted topics ("concepts") that embody meaning and are represented in collections of interface elements. Finally, we consider plausible paths forward to creating content suitable for a global standard. (C) 2011 Elsevier B.V. All rights reserved. C1 [Nordman, Bruce; Granderson, Jessica] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Cunningham, Kelly] Calif Lighting Technol Ctr, Davis, CA 95618 USA. RP Nordman, B (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM bnordman@lbl.gov; jgranderson@lbl.gov; kcunning@ucdavis.edu FU California Energy Commission [500-03-026]; U.S. Department of Energy [DE-AC02-05CH11231] FX Research funding was provided by the California Energy Commission, Public Interest Energy Research Program, under Contract 500-03-026, and by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We thank the Dustin Davis and others at the CEC for their help. Invaluable contributions from Kosta Papamichael and Alan Meier. NR 29 TC 3 Z9 3 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5489 J9 COMPUT STAND INTER JI Comput. Stand. Interfaces PD FEB PY 2012 VL 34 IS 2 BP 273 EP 279 DI 10.1016/j.csi.2011.10.003 PG 7 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering SC Computer Science GA 877AT UT WOS:000299149600004 ER PT J AU Mernild, SH Seidenkrantz, MS Chylek, P Liston, GE Hasholt, B AF Mernild, Sebastian H. Seidenkrantz, Marit-Solveig Chylek, Petr Liston, Glen E. Hasholt, Bent TI Climate-driven fluctuations in freshwater flux to Sermilik Fjord, East Greenland, during the last 4000 years SO HOLOCENE LA English DT Article DE freshwater runoff; Helheim; ice discharge; runoff; Sermilik Fjord; SnowModel ID NORTH-ATLANTIC OSCILLATION; MITTIVAKKAT GLACIER CATCHMENT; AMMASSALIK ISLAND; LATE-HOLOCENE; WEST GREENLAND; SE GREENLAND; SOUTHEAST GREENLAND; MASS-BALANCE; JAKOBSHAVN ISBRAE; ICELANDIC SHELF AB The freshwater runoff from the glaciated and snow-covered Sermilik Fjord catchment, SE Greenland, was estimated at annual resolution for the period 1900-2008 and at decadal resolution for the past four millennia. Our simulations were forced with available meteorological station data (1900-2008) and Greenland ice core estimated temperature data (1899 (BC-AD) 1980) from Dye3 and GISP2. Time series of estimated ice discharge (2000-2009) for the three major outlet glaciers Helheim, Fenris, and MidgAyenrd indicate that 53-74% of the ice discharge variations could be explained by variations in areally averaged glacier terminus surface (supraglacial) runoff. Based on these data and together with calculated subglacial geothermal and frictional melting as well as net precipitation for the fjord area, the Sermilik Fjord freshwater flux was deduced for the period 1900-2008. Our simulations indicated that during the last century surface freshwater runoff has equaled 13% of the Sermilik Fjord average freshwater flux of 33.0 +/- 5.7x10(9) m(3)/yr, covering a periodic runoff variation of 20 years. Ice discharge has accounted for 81%, with 63% of the freshwater flux originated from the Helheim glacier. This indicates that the Helheim outlet glacier plays a dominant role as a freshwater source to both Sermilik Fjord and ultimately the Irminger Sea. For the palaeorecords of the last 4000 years, simulated surface runoff has averaged 4.4 +/- 0.2x10(9) m(3)/yr. A very weak decreasing trend in runoff over the last 4 k years (1899 (BC-AD) 1980) is presumably associated with the general insolation-generated Northern Hemisphere cooling since the Holocene Thermal Maximum. Our simulations furthermore indicated centennial- to submillennial-scale variations in surface runoff concurrent with the well-known climate episodes such as the 'Roman Warm Period', the 'Dark Ages Cold Period', the 'Medieval Climate Anomaly', and the 'Little Ice Age'. During the 'Little Ice Age', e.g., the average surface runoff was about 0.7x10(9) m(3)/yr lower than today, while the increase in runoff for the Modern Warming, since the late 1800s, was the second strongest and fastest for the last 4 k years. C1 [Mernild, Sebastian H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Computat Phys & Methods CCS 2, Los Alamos, NM 87545 USA. [Seidenkrantz, Marit-Solveig] Univ Aarhus, DK-8000 Aarhus C, Denmark. [Liston, Glen E.] Colorado State Univ, Ft Collins, CO 80523 USA. [Hasholt, Bent] Univ Copenhagen, DK-1168 Copenhagen, Denmark. RP Mernild, SH (reprint author), Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Computat Phys & Methods CCS 2, POB 1663, Los Alamos, NM 87545 USA. EM mernild@lanl.gov RI Seidenkrantz, Marit-Solveig/A-3451-2012 OI Seidenkrantz, Marit-Solveig/0000-0002-1973-5969 FU US Department of Energy's Office of Science; U.S. Department of Energy [DE-AC52-06NA25396]; Geocenter Denmark; Danish Council for Independent Research/Nature and Universe [09-069833/FNU]; EU [243908] FX This work was supported partly by grants from the Climate Change Prediction Program and the Climate and Environmental Science Program within the US Department of Energy's Office of Science. Los Alamos National Laboratory is operated under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. DE-AC52-06NA25396, and partly by the SEDIMICE project (linking sediments with ice-sheet response and glacier retreat in Greenland), Geocenter Denmark. The study is also a contribution to the TROPOLINK project funded by the Danish Council for Independent Research/Nature and Universe (Grant no. 09-069833/FNU) and the PAST-4FUTURE project funded by the EU FP7 (project no. 243908). NR 66 TC 7 Z9 7 U1 0 U2 11 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 0959-6836 J9 HOLOCENE JI Holocene PD FEB PY 2012 VL 22 IS 2 BP 155 EP 164 DI 10.1177/0959683611431215 PG 10 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 871OG UT WOS:000298746900003 ER PT J AU Gao, BJ Griffith, OL Ester, M Xiong, H Zhao, Q Jones, SJM AF Gao, Byron J. Griffith, Obi L. Ester, Martin Xiong, Hui Zhao, Qiang Jones, Steven J. M. TI On the Deep Order-Preserving Submatrix Problem: A Best Effort Approach SO IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING LA English DT Article DE Order-preserving submatrix; OPSM; deep OPSM; deep pattern; subspace clustering; pattern-based clustering; sequential pattern mining; scalability; best effort; gene expression analysis; negative correlation; data mining ID MICROARRAY EXPRESSION DATA; CLUSTERING-ALGORITHM; GENE ONTOLOGY; BIOLOGY; PROFILES; TOOL AB Order-preserving submatrix (OPSM) has been widely accepted as a biologically meaningful cluster model, capturing the general tendency of gene expression across a subset of experiments. In an OPSM, the expression levels of all genes induce the same linear ordering of the experiments. The OPSM problem is to discover those statistically significant OPSMs from a given data matrix. The problem is reducible to a special case of the sequential pattern mining problem, where a pattern and its supporting sequences uniquely specify an OPSM. Unfortunately, existing methods do not scale well to massive data sets containing thousands of experiments and hundreds of thousands of genes, which are common in today's gene expression analysis. In particular, deep OPSMs, corresponding to long patterns with few supporting sequences, incur explosive computational costs in their discovery and are completely pruned off by existing methods. However, it is of particular interest of biologists to determine small groups of genes that are tightly coregulated across many experiments, and some pathways or processes may require as few as two genes to act in concert. In this paper, we study the discovery of deep OPSMs from massive data sets. We propose a novel best effort mining framework KiWi that exploits two parameters k and w to bound the available computational resources and search a selected search space, and does what it can to find as many as possible deep OPSMs. Extensive biological and computational evaluations on real data sets demonstrate the validity and importance of the deep OPSM problem, and the efficiency and effectiveness of the KiWi mining framework. C1 [Gao, Byron J.] SW Texas State Univ, Dept Comp Sci, San Marcos, TX 78666 USA. [Griffith, Obi L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Ester, Martin] Simon Fraser Univ, Sch Comp Sci, Burnaby, BC V5A 1S6, Canada. [Xiong, Hui] Rutgers State Univ, Newark, NJ 07102 USA. [Zhao, Qiang] SW Texas State Univ, Dept Math, San Marcos, TX 78666 USA. [Jones, Steven J. M.] British Columbia Canc Agcy, Genome Sci Ctr, Vancouver, BC V5Z 4S6, Canada. RP Gao, BJ (reprint author), SW Texas State Univ, Dept Comp Sci, 601 Univ Dr, San Marcos, TX 78666 USA. EM bgao@txstate.edu; olgriffith@lbl.gov; ester@cs.sfu.ca; hxiong@rutgers.edu; qiang.zhao@txstate.edu; sjones@bcgsc.ca RI Tang, Macy/B-9798-2014; Jones, Steven/C-3621-2009; OI Griffith, Obi/0000-0002-0843-4271 NR 55 TC 8 Z9 9 U1 0 U2 10 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1041-4347 EI 1558-2191 J9 IEEE T KNOWL DATA EN JI IEEE Trans. Knowl. Data Eng. PD FEB PY 2012 VL 24 IS 2 BP 309 EP 325 DI 10.1109/TKDE.2010.244 PG 17 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Engineering, Electrical & Electronic SC Computer Science; Engineering GA 866LA UT WOS:000298381000010 ER PT J AU Hasemann, G Schneibel, JH George, EP AF Hasemann, G. Schneibel, J. H. George, E. P. TI Dependence of the yield stress of Fe3Al on heat treatment SO INTERMETALLICS LA English DT Article DE Iron aluminides (based on Fe3Al); Yield stress; Heat treatment; Mechanical testing ID IRON-ALUMINUM ALLOYS; FE-AL ALLOYS; MECHANICAL-PROPERTIES; VACANCY CONCENTRATION; DEFORMATION-BEHAVIOR; FRACTURE-BEHAVIOR; THERMAL VACANCIES; TEMPERATURE AB The room-temperature yield strength of quenched FeAl-based iron aluminides depends strongly on the temperature from which the quench occurs. There is evidence that Fe3Al-based iron aluminides show similar behavior, albeit not as pronounced. The purpose of this work was to carry out quenching and annealing experiments to clearly demonstrate this effect, as well as to study its kinetics. Room-temperature compression tests were performed using cast Fe-28at%Al and Fe-30at%Al after quenching from temperatures in the range 300-1000 degrees C. Kinetic studies were carried out to assess the reduction of the yield stress by subsequent annealing for various times at relatively low temperatures. Results from the present study are compared with data available in the literature and explanations for the dependence of room-temperature mechanical behavior on annealing history are evaluated. It is concluded that room-temperature strengthening in Fe3Al-based iron aluminides is consistent with behavior expected for quenched-in thermal vacancies and this could be an important strengthening mechanism in Fe3Al. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Hasemann, G.] Univ Magdeburg, Inst Mat & Joining Technol, D-39106 Magdeburg, Germany. [George, E. P.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [George, E. P.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Hasemann, G (reprint author), Univ Magdeburg, Inst Mat & Joining Technol, Univ Pl 2, D-39106 Magdeburg, Germany. EM g.hasemann@web.de RI George, Easo/L-5434-2014 FU Materials Sciences and Engineering Division, Basic Energy Sciences, U.S. Department of Energy FX This research was sponsored by the Materials Sciences and Engineering Division, Basic Energy Sciences, U.S. Department of Energy. NR 23 TC 6 Z9 6 U1 1 U2 15 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 FEB PY 2012 VL 21 IS 1 BP 56 EP 61 DI 10.1016/j.intermet.2011.09.005 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 868JO UT WOS:000298519800008 ER PT J AU Ma, Q El Kadiri, H Oppedal, AL Baird, JC Li, B Horstemeyer, MF Vogel, SC AF Ma, Q. El Kadiri, H. Oppedal, A. L. Baird, J. C. Li, B. Horstemeyer, M. F. Vogel, S. C. TI Twinning effects in a rod-textured AM30 Magnesium alloy SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Magnesium; Texture; Crystal plasticity; Twinning; Dislocations ID ANISOTROPIC/ASYMMETRIC HARDENING BEHAVIOR; SITU NEUTRON-DIFFRACTION; CLOSE-PACKED METALS; AZ31 MG ALLOY; MECHANICAL-BEHAVIOR; ZIRCONIUM ALLOYS; SINGLE-CRYSTALS; NONBASAL SLIP; FCC METALS; ALPHA-IRON AB We experimentally and numerically investigated the effect of twinning on plasticity using an extruded rod-textured magnesium alloy. The rod-texture is a < 10 (1) over bar0 >-axis fiber texture that presents a fundamentally different anisotropy correlated to twinning with respect to the widely discussed c-axis fiber texture generated by clock rolling. We quantified a profuse {10 (1) over bar2}(10 (1) over bar1) extension twinning along the extrusion direction (ED) that consumed the entire parent before the inflection point in the stress-strain behavior. However, under compression along the extrusion radial direction (ERD), the twinning model in the viscoplastic self-consistent formulation still predicts substantial extension twinning. However, in this case the stress-strain curve did not inflect, and Regime II hardening was absent. We demonstrate via EBSD analyses that the absence of Regime II hardening along the ERD was due to a non-Schmid effect by multivariant "stopped" twinning. The intersecting variants of stopped twins incurred twin-twin interactions that limited the twin growth. Profuse {10 (1) over bar1}(10 (1) over bar2) double twinning occurs both under ED and ERD but peculiarly triggered earlier under ERD than under ED, so the Voce model under VPSC could not capture their effect. The complex networks of stopped twins in the ERD clearly negate a possible Hall-Petch effect on Regime II by twin segmentation, since otherwise Regime II would be more marked in the ERD. Rather, the stopped twins suggest preferential latent hardening within the twinned regions by parent dislocation transmutation upon their incorporation in the twins. In fact, since twin-twin interactions mitigate the growth rates of sweeping extension twin boundaries, dislocation transmutation could be limited to the extent that Regime II hardening will be eliminated. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Ma, Q.; El Kadiri, H.; Oppedal, A. L.; Baird, J. C.; Li, B.; Horstemeyer, M. F.] Mississippi State Univ, Ctr Adv Vehicular Syst, Mississippi State, MS 39762 USA. [El Kadiri, H.; Horstemeyer, M. F.] Mississippi State Univ, Dept Mech Engn, Mississippi State, MS 39762 USA. [Vogel, S. C.] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. RP Ma, Q (reprint author), Mississippi State Univ, Ctr Adv Vehicular Syst, Mississippi State, MS 39762 USA. EM qma@cavs.msstate.edu RI Lujan Center, LANL/G-4896-2012; OI Vogel, Sven C./0000-0003-2049-0361; Horstemeyer, Mark/0000-0003-4230-0063 FU Center for Advanced Vehicular Systems (CAVS) at Mississippi State University; Department of Energy and the National Energy Technology Laboratory [DE-FC26-02OR22910]; US Army TACOM Life Cycle Command through Mississippi State University [W56HZV-08-C-0236] FX The authors are grateful to the financial support from the Center for Advanced Vehicular Systems (CAVS) at Mississippi State University. The authors are also grateful to Stephen Horstemeyer and Arsalan Adil for their work in mechanical testing. This study was also supported by the Department of Energy and the National Energy Technology Laboratory under Award Number No. DE-FC26-02OR22910, and the US Army TACOM Life Cycle Command under Contract No. W56HZV-08-C-0236 through a subcontract with Mississippi State University, and was performed for the Simulation Based Reliability and Safety (SimBRS) research program. The authors acknowledge Alan Luo (General Motors Company), and Joy Hines Forsmark and John Allison (Ford Motor Company) for their leadership and encouragement of the larger USAMP/DOE Integrated Computational Materials Engineering for Magnesium Program. This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. Such support does not constitute an endorsement by the Department of Energy of the work or the views expressed herein. UNCLASSIFIED: Dist A. Approved for public release. NR 54 TC 64 Z9 68 U1 7 U2 90 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 J9 INT J PLASTICITY JI Int. J. Plast. PD FEB PY 2012 VL 29 BP 60 EP 76 DI 10.1016/j.ijplas.2011.08.001 PG 17 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 868JA UT WOS:000298518400004 ER PT J AU Brown, DW Beyerlein, IJ Sisneros, TA Clausen, B Tome, CN AF Brown, D. W. Beyerlein, I. J. Sisneros, T. A. Clausen, B. Tome, C. N. TI Role of twinning and slip during compressive deformation of beryllium as a function of strain rate SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Crystal plasticity; Anisotropic material; Rate-dependent material; Dislocations; Twinning ID SITU NEUTRON-DIFFRACTION; MAGNESIUM ALLOY AZ31; CLOSE-PACKED METALS; TEXTURE DEVELOPMENT; CRYSTAL PLASTICITY; MECHANICAL-PROPERTIES; HEXAGONAL MATERIALS; CONSTITUTIVE LAW; TEMPERATURE; MODEL AB An experimental and theoretical investigation was carried out to study the strain rate dependent plastic response of beryllium over a wide range of applied compression strain rates, 10(-4)-10(4)/s. At each rate, the evolution of flow stress and the final texture with deformation was obtained from a non-textured hot-pressed (HP) sample and a textured rolled sheet. The rolled sheet material was compressed in both the in-plane (IP) and through-thickness (TT) direction for comparison. The twin volume fraction was determined from the change in texture. The activity of twinning was strongly dependent on strain rate in the IP and HP samples. We applied a multi-scale constitutive model for hexagonal close packed polycrystals that accounts for crystallographic slip and twinning on individual systems in each crystal, as well as twin reorientation. Rate effects enter the calculations only through thermally activated dislocation glide on the active slip modes. The importance of this study is that it points to the necessity of using a crystallographic model based on microstructure evolution to understand the role played by plastic anisotropy, slip-slip competition, and slip-twin competition, in the mechanical response of HCP aggregates. The model reproduces the observed flow curves and texture evolution for all tests with a unique single crystal set of parameters. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Brown, D. W.; Sisneros, T. A.; Tome, C. N.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Beyerlein, I. J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Clausen, B.] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. RP Brown, DW (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM dbrown@lanl.gov RI Lujan Center, LANL/G-4896-2012; Tome, Carlos/D-5058-2013; Beyerlein, Irene/A-4676-2011; Clausen, Bjorn/B-3618-2015 OI Clausen, Bjorn/0000-0003-3906-846X FU Office of Basic Energy Science (DOE) [FWP 06SCPE401]; National Nuclear Safety Agency; DOE [DE-AC52-06NA25396] FX The authors acknowledge financial support from Office of Basic Energy Science (DOE) through Project FWP 06SCPE401 and the National Nuclear Safety Agency. 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). Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE-AC52-06NA25396. NR 57 TC 55 Z9 57 U1 6 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 FEB PY 2012 VL 29 BP 120 EP 135 DI 10.1016/j.ijplas.2011.08.006 PG 16 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 868JA UT WOS:000298518400007 ER PT J AU Koren, B Ebert, U Gombosi, T Guillard, H Keppens, R Knoll, D AF Koren, Barry Ebert, Ute Gombosi, Tamas Guillard, Herve Keppens, Rony Knoll, Dana TI Computational plasma physics Preface SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Editorial Material C1 [Koren, Barry; Ebert, Ute] CWI, Amsterdam, Netherlands. [Koren, Barry] Leiden Univ, NL-2300 RA Leiden, Netherlands. [Ebert, Ute] Eindhoven Univ Technol, NL-5600 MB Eindhoven, Netherlands. [Gombosi, Tamas] Univ Michigan, Ann Arbor, MI 48109 USA. [Guillard, Herve] INRIA, Le Chesnay, France. [Guillard, Herve] Univ Nice Sophia Antipolis, Nice, France. [Knoll, Dana] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Koren, B (reprint author), CWI, Amsterdam, Netherlands. RI Ebert, Ute/C-4977-2008; Gombosi, Tamas/G-4238-2011 OI Ebert, Ute/0000-0003-3891-6869; Gombosi, Tamas/0000-0001-9360-4951 NR 0 TC 1 Z9 1 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 FEB 1 PY 2012 VL 231 IS 3 SI SI BP 717 EP 717 DI 10.1016/j.jcp.2011.11.012 PG 1 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 868LG UT WOS:000298524200001 ER PT J AU Jardin, SC AF Jardin, S. C. TI Review of implicit methods for the magnetohydrodynamic description of magnetically confined plasmas SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Review DE Magnetohydrodynamics; Implicit methods; Plasma physics; Fusion ID MAGNETO-HYDRODYNAMIC EQUATIONS; FINITE-ELEMENT; RESISTIVE INSTABILITIES; SAWTOOTH OSCILLATIONS; NONLINEAR EVOLUTION; SEMIIMPLICIT METHOD; INTEGRATION SCHEME; MHD CALCULATIONS; HEAT-TRANSPORT; TOKAMAKS AB Implicit algorithms are essential for predicting the slow growth and saturation of global instabilities in today's magnetically confined fusion plasma experiments. Present day algorithms for obtaining implicit solutions to the magnetohydrodynamic (MHD) equations for highly magnetized plasma have their roots in algorithms used in the 1960s and 1970s. However, today's computers and modern linear and non-linear solver techniques make practical much more comprehensive implicit algorithms than were previously possible. Combining these advanced implicit algorithms with highly accurate spatial representations of the vector fields describing the plasma flow and magnetic fields and with improved methods of calculating anisotropic thermal conduction now makes possible simulations of fusion experiments using realistic values of plasma parameters and actual configuration geometry. This article is a review of these developments. (C) 2010 Elsevier Inc. All rights reserved. C1 Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Jardin, SC (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM jardin@pppl.gov FU U.S. DoE [DE-AC02-76CH03073] FX The author has benefited from discussions, additions, and corrections suggested by J. Breslau, N. Ferraro, A. Glasser, S. Kruger, V. Lukin, D. Schnack, and particularly C. Sovinec. This work was supported by U.S. DoE contract DE-AC02-76CH03073. NR 89 TC 13 Z9 13 U1 3 U2 23 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 FEB 1 PY 2012 VL 231 IS 3 SI SI BP 822 EP 838 DI 10.1016/j.jcp.2010.12.025 PG 17 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 868LG UT WOS:000298524200006 ER PT J AU Sohal, MS O'Brien, JE Stoots, CM Sharma, VI Yildiz, B Virkar, A AF Sohal, M. S. O'Brien, J. E. Stoots, C. M. Sharma, V. I. Yildiz, B. Virkar, A. TI Degradation Issues in Solid Oxide Cells During High Temperature Electrolysis SO JOURNAL OF FUEL CELL SCIENCE AND TECHNOLOGY LA English DT Article DE solid oxide cell; degradation; electrolysis; hydrogen ID STABILIZED ZIRCONIA; NUCLEAR-ENERGY; MECHANISM; HYDROGEN; STACKS AB Idaho National Laboratory (INL) is performing high-temperature electrolysis research to generate hydrogen using solid oxide electrolysis cells (SOECs). The project goals are to address the technical and degradation issues associated with the SOECs. This paper provides a summary of various ongoing INL and INL sponsored activities aimed at addressing SOEC degradation. These activities include stack testing, post-test examination, degradation modeling, and a list of issues that need to be addressed in future. Major degradation issues relating to solid oxide fuel cells (SOFC) are relatively better understood than those for SOECs. Some of the degradation mechanisms in SOFCs include contact problems between adjacent cell components, microstructural deterioration (coarsening) of the porous electrodes, and blocking of the reaction sites within the electrodes. Contact problems include delamination of an electrode from the electrolyte, growth of a poorly (electronically) conducting oxide layer between the metallic interconnect plates and the electrodes, and lack of contact between the interconnect and the electrode. INL's test results on high temperature electrolysis (HTE) using solid oxide cells do not provide clear evidence of whether different events lead to similar or drastically different electrochemical degradation mechanisms. Post-test examination of the solid oxide electrolysis cells showed that the hydrogen electrode and interconnect get partially oxidized and become nonconductive. This is most likely caused by the hydrogen stream composition and flow rate during cool down. The oxygen electrode side of the stacks seemed to be responsible for the observed degradation due to large areas of electrode delamination. Based on the oxygen electrode appearance, the degradation of these stacks was largely controlled by the oxygen electrode delamination rate. Virkar and co-workers have developed a SOEC model based on concepts in local thermodynamic equilibrium in systems otherwise in global thermodynamic nonequilibrium. This model is under continued development. It shows that electronic conduction through the electrolyte, however small, must be taken into account for determining local oxygen chemical potential, within the electrolyte. The chemical potential within the electrolyte may lie out of bounds in relation to values at the electrodes in the electrolyzer mode. Under certain conditions, high pressures can develop in the electrolyte just under the oxygen electrode (anode)/electrolyte interface, leading to electrode delamination. This theory is being further refined and tested by introducing some electronic conduction in the electrolyte. [DOI: 10.1115/1.4003787] C1 [Sohal, M. S.; O'Brien, J. E.; Stoots, C. M.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Sharma, V. I.; Yildiz, B.] MIT, Cambridge, MA 02139 USA. [Virkar, A.] Univ Utah, Salt Lake City, UT 84112 USA. RP Sohal, MS (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM manohar.sohal@inl.gov FU U.S. Department of Energy, Office of Nuclear Energy; Office of Energy Efficiency and Renewable Energy; ANL; Ceramatec, Inc.; MIT; University of Utah FX This work was sponsored by the U.S. Department of Energy, Office of Nuclear Energy and Office of Energy Efficiency and Renewable Energy. ANL, Ceramatec, Inc., MIT, and University of Utah participated in this research with INL through subcontracts. NR 22 TC 15 Z9 15 U1 10 U2 70 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 1550-624X J9 J FUEL CELL SCI TECH JI J. Fuel Cell Sci. Technol. PD FEB PY 2012 VL 9 IS 1 AR 011017 DI 10.1115/1.4003787 PG 10 GA 868RL UT WOS:000298542000017 ER PT J AU Norris, PM Smoyer, JL Duda, JC Hopkins, PE AF Norris, Pamela M. Smoyer, Justin L. Duda, John C. Hopkins, Patrick E. TI Prediction and Measurement of Thermal Transport Across Interfaces Between Isotropic Solids and Graphitic Materials SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT 8th ASME International Conference on Nanochannels, Microchannels and Minichannels CY AUG 01-05, 2010 CL Montreal, CANADA SP ASME, Fluids Engn Div DE pump-probe thermoreflectance; thermal boundary conductance; graphite; diffuse mismatch model; anisotropy ID TRANSIENT THERMOREFLECTANCE TECHNIQUE; MOLECULAR-DYNAMICS SIMULATIONS; CARBON-NANOTUBE COMPOSITES; BOUNDARY RESISTANCE; PYROLYTIC-GRAPHITE; LATTICE-DYNAMICS; HEAT-FLOW; 0001 SURFACE; CONDUCTANCE; COPPER AB Due to the high intrinsic thermal conductivity of carbon allotropes, there have been many attempts to incorporate such structures into existing thermal abatement technologies. In particular, carbon nanotubes (CNTs) and graphitic materials (i.e., graphite and graphene flakes or stacks) have garnered much interest due to the combination of both their thermal and mechanical properties. However, the introduction of these carbon-based nanostructures into thermal abatement technologies greatly increases the number of interfaces per unit length within the resulting composite systems. Consequently, thermal transport in these systems is governed as much by the interfaces between the constituent materials as it is by the materials themselves. This paper reports the behavior of phononic thermal transport across interfaces between isotropic thin films and graphite substrates. Elastic and inelastic diffusive transport models are formulated to aid in the prediction of conductance at a metal-graphite interface. The temperature dependence of the thermal conductance at Au-graphite interfaces is measured via transient thermoreflectance from 78 to 400 K. It is found that different substrate surface preparations prior to thin film deposition have a significant effect on the conductance of the interface between film and substrate. [DOI: 10.1115/1.4004932] C1 [Norris, Pamela M.; Smoyer, Justin L.; Duda, John C.] Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA. [Hopkins, Patrick E.] Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA. RP Norris, PM (reprint author), Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA. EM pamela@virginia.edu; jls5ra@virginia.edu; duda@virginia.edu; pehopki@sandia.gov RI Duda, John/A-7214-2011 FU Office of Naval Research through MURI [N00014-07-1-0723]; Air Force Office of Scientific Research [FA9550-09-1-0245]; National Science Foundation; LDRD program office through the Sandia National Laboratories; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors at U.Va. acknowledge financial support from the Office of Naval Research through a MURI grant (Grant No. N00014-07-1-0723) and the Air Force Office of Scientific Research (Grant No. FA9550-09-1-0245). J.C.D. is greatly appreciative for financial support from the National Science Foundation through the Graduate Research Fellowship Program. P. E. H. is grateful for funding from the LDRD program office through the Sandia National Laboratories Harry S. Truman Fellowship. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed-Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 53 TC 14 Z9 14 U1 2 U2 38 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 EI 1528-8943 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD FEB PY 2012 VL 134 IS 2 AR 020910 DI 10.1115/1.4004932 PG 7 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 868QH UT WOS:000298537600011 ER PT J AU Martha, SK Nanda, J Veith, GM Dudney, NJ AF Martha, Surendra K. Nanda, Jagjit Veith, Gabriel M. Dudney, Nancy J. TI Electrochemical and rate performance study of high-voltage lithium-rich composition: Li1.2Mn0.525Ni0.175Co0.1O2 SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium battery; Cathode material; Carbon nanofiber; Rate performance ID CATHODE MATERIALS; ION BATTERIES; SOLID-SOLUTIONS; OXIDE ELECTRODES; CAPACITY; LI; 0-LESS-THAN-X-LESS-THAN-1; BEHAVIOR; MN; NI AB We report electrochemical studies of high voltage cathodes composed of lithium rich "layered-layered" material having the nominal composition Li1.2Mn0.525Ni0.175Co0.1O2, or equivalently 0.6Li[Li1/3Mn2/3]O-2-0.4Li[Mn0.3Ni0.45Co0.25]O-2. These aspects were investigated by cyclic voltammetry studies in conjunction with electrochemical impedance spectroscopy measurements to understand the redox reactions involving multiple transition metals and their capacity contribution at higher voltages, up to 4.9V. Further, cathodes with 1.5 wt.% carbon nanofibers added to the Li1.2Mn0.525Ni0.175Co0.1O2 composite electrode showed stable reversible capacities of about 280 mAh g(-1) when cycled to 4.9V for more than 100 cycles, and almost a factor of two improvements in the rate performance compared to the electrode composition prepared using conventional composition (7.5% carbon black and 7.5% binder). Published by Elsevier B.V. C1 [Martha, Surendra K.; Nanda, Jagjit; Veith, Gabriel M.; Dudney, Nancy J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Martha, SK (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM marthask@ornl.gov; nandaj@ornl.gov RI Dudney, Nancy/I-6361-2016 OI Dudney, Nancy/0000-0001-7729-6178 FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy; Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy; U.S. Department of Energy [DE-AC05-00OR22725] FX Materials used in this study were supplied courtesy of Max L Lake (Applied Sciences, Inc.), carbon nano fibers and Toda Materials Corporation, Japan for the lithium rich MNC composition. This work is funded by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy. GMV acknowledges support from the Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract no. DE-AC05-00OR22725. NR 39 TC 124 Z9 132 U1 9 U2 131 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 FEB 1 PY 2012 VL 199 BP 220 EP 226 DI 10.1016/j.jpowsour.2011.10.019 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 864VX UT WOS:000298269700032 ER PT J AU Jiang, WH Jiang, F Liu, FX Wang, YD Dang, HM Yang, FQ Choo, H Liaw, PK AF Jiang, W. H. Jiang, F. Liu, F. X. Wang, Y. D. Dang, H. M. Yang, F. Q. Choo, H. Liaw, P. K. TI Mechanical behaviours of workhardening and worksoftening bulk metallic glasses SO MATERIALS SCIENCE AND TECHNOLOGY LA English DT Article DE Bulk metallic glass; Mechanical property; Nanoindentation; Workhardening; Shear band ID DEFORMATION-INDUCED NANOCRYSTALLIZATION; TRANSMISSION ELECTRON-MICROSCOPY; AMORPHOUS-ALLOYS; RATE DEPENDENCE; SHEAR BANDS; SERRATED FLOW; FREE-VOLUME; STRAIN-RATE; NANOINDENTATION; TEMPERATURE AB The workhardening Cu47.5Zr47.5Al5 and the worksoftening Zr52.5Cu17.9Ni14.6Al10.0Ti5.0 bulk metallic glasses before and after precompression deformation were characterised for thermal and mechanical behaviours. The predeformation introduces excessive free volume in both glasses. Cu47.5Zr47.5Al5 and Zr52.5Cu17.9Ni14.6Al10.0Ti5.0 exhibit substantial workhardening and worksoftening behaviours respectively. For Cu47.5Zr47.5Al5, the precompression has a negligible effect on serrations in the plastic flow during nanoindentation, which is related to the hardening of a shear band, while for Zr52.5Cu17.9Ni14.6Al10.0Ti5.0, the precompression moderates serrations in the plastic flow during nanoindentation, which is associated with the softening of a shear band. Strengthening from mechanically induced nanocrystallites at shear bands is responsible for the workhardening of Cu47.5Zr47.5Al5, which overwhelms softening due to the introduction of excessive free volume. C1 [Jiang, W. H.; Jiang, F.; Liu, F. X.; Choo, H.; Liaw, P. K.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Wang, Y. D.] Northeastern Univ, Key Lab Anisotropy & Texture Mat MOE, Shenyang 110004, Peoples R China. [Dang, H. M.; Yang, F. Q.] Univ Kentucky, Dept Chem & Mat Engn, Lexington, KY 40506 USA. [Choo, H.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Jiang, WH (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM wjiang2@slb.com RI wang, yandong/G-9404-2013; ran, shi/G-9380-2013; Choo, Hahn/A-5494-2009 OI Choo, Hahn/0000-0002-8006-8907 FU National Science Foundation (NSF) International Materials Institutes (IMI) [DMR-0231320]; National Natural Science Foundation of China [50725102] FX The present work was supported by the National Science Foundation (NSF) International Materials Institutes (IMI) Program (grant no. DMR-0231320), with Dr C. Huber as the Program Director. YDW thanks the financial support by the National Natural Science Foundation of China (grant no. 50725102). NR 37 TC 1 Z9 1 U1 1 U2 24 PU MANEY PUBLISHING PI LEEDS PA STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND SN 0267-0836 J9 MATER SCI TECH-LOND JI Mater. Sci. Technol. PD FEB PY 2012 VL 28 IS 2 BP 249 EP 255 DI 10.1179/1743284711Y.0000000011 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 866QP UT WOS:000298396500018 ER PT J AU Furst, AJ Rabinovici, GD Rostomian, AH Steed, T Alkalay, A Racine, C Miller, BL Jagust, WJ AF Furst, Ansgar J. Rabinovici, Gil D. Rostomian, Ara H. Steed, Tyler Alkalay, Adi Racine, Caroline Miller, Bruce L. Jagust, William J. TI Cognition, glucose metabolism and amyloid burden in Alzheimer's disease SO NEUROBIOLOGY OF AGING LA English DT Article DE Alzheimer's disease; Amyloid plaques; Amyloidosis; Cognition; Dementia severity; Fluorodeoxyglucose; Glucose metabolism; Pittsburgh Compound-B ID PITTSBURGH COMPOUND-B; POSITRON-EMISSION-TOMOGRAPHY; PRECURSOR PROTEIN GENE; III PYRAMIDAL NEURONS; NEUROFIBRILLARY TANGLES; DEMENTIA SEVERITY; NEURITIC PLAQUES; MACAQUE MONKEY; BETA-PEPTIDE; LAYER III AB The authors investigated relationships between glucose metabolism, amyloid load, and measures of cognitive and functional impairment in Alzheimer's disease (AD). Patients meeting criteria for probable AD underwent C-11-labeled Pittsburgh Compound-B ([C-11]PIB) and 18F-fluorodeoxyglucose ([F-18]FDG) positron emission tomography (PET) imaging and were assessed on a set of clinical measures. The Pittsburgh Compound-B (PIB) Distribution volume ratios and fluorodeoxyglucose (FDG) scans were spatially normalized and average PIB counts from regions-of-interest (ROI) were used to compute a measure of global PIB uptake. Separate voxel-wise regressions explored local and global relationships between metabolism, amyloid burden, and clinical measures. Regressions reflected cognitive domains assessed by individual measures, with visuospatial tests associated with more posterior metabolism, and language tests associated with metabolism in the left hemisphere. Correlating regional FDG uptake with these measures confirmed these findings. In contrast, no correlations were found between either voxel-wise or regional PIB uptake and any of the clinical measures. Finally, there were no associations between regional PIB and FDG uptake. We conclude that regional and global amyloid burden does not correlate with clinical status or glucose metabolism in AD. (C) 2012 Elsevier Inc. All rights reserved. C1 [Furst, Ansgar J.; Rostomian, Ara H.; Steed, Tyler; Jagust, William J.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Furst, Ansgar J.; Jagust, William J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Mol Imaging & Neurosci, Berkeley, CA 94720 USA. [Rabinovici, Gil D.; Alkalay, Adi; Racine, Caroline; Miller, Bruce L.] Memory & Aging Ctr, San Francisco, CA 94143 USA. [Rabinovici, Gil D.; Alkalay, Adi; Racine, Caroline; Miller, Bruce L.] Univ Calif San Francisco, Dept Neurol, San Francisco, CA 94143 USA. RP Jagust, WJ (reprint author), Univ Calif Berkeley, Helen Wills Neurosci Inst, 132 Barker Hall, Berkeley, CA 94720 USA. EM jagust@berkeley.edu FU National Institute on Aging [NIA K23-AG031861, NIA AG027859, NIA P01-AG1972403, P50-AG023501]; Alzheimer's Association [NIRG-07-59422, ZEN-08-87090]; John Douglas French Alzheimer's Foundation FX This work was supported by National Institute on Aging grants NIA K23-AG031861 (GDR), NIA AG027859 (WJJ), NIA P01-AG1972403 and P50-AG023501 (BLM), Alzheimer's Association NIRG-07-59422 (GDR) and ZEN-08-87090 (WJJ), John Douglas French Alzheimer's Foundation (GDR). NR 102 TC 64 Z9 64 U1 1 U2 13 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0197-4580 EI 1558-1497 J9 NEUROBIOL AGING JI Neurobiol. Aging PD FEB PY 2012 VL 33 IS 2 BP 215 EP 225 DI 10.1016/j.neurobiolaging.2010.03.011 PG 11 WC Geriatrics & Gerontology; Neurosciences SC Geriatrics & Gerontology; Neurosciences & Neurology GA 863NR UT WOS:000298171800001 PM 20417582 ER PT J AU Budhraja, V Misra, D Ravindra, NM AF Budhraja, Vinay Misra, Durgamadhab Ravindra, Nuggehalli M. TI Simulation of device parameters of high efficiency multicrystalline silicon solar cells SO EMERGING MATERIALS RESEARCH LA English DT Article DE solar cells; device simulation; silicon AB The results of the simulation of the reported experimental results of high efficiency multicrystalline silicon (mc-Si) solar cells, using PC1D software, are reported in this study. Results obtained by various groups have been incorporated and compared in this study. The highest efficiency reported so far for mc-Si solar cells is 20.4% and 17-18% by research laboratories and commercial houses, respectively. The efficiency can be further enhanced if passivation characteristics on both the front and back surface are improved. The role of back surface recombination has become more significant in light of the use of thin mc-Si wafers by the solar cell industry. Based on the passivation characteristics and considering the understanding of the past three decades of studies, the authors have proposed and simulated a structure for mc-Si solar cells to improve the performance of the same. The results of our modeled structure of mc-Si solar cell show an efficiency of 21.88% with short-circuit current density, J(sc) = 39.39 mA/cm(2), and open circuit voltage, V-oc = 0.666 V. C1 [Budhraja, Vinay] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Budhraja, Vinay] New Jersey Inst Technol, Newark, NJ 07102 USA. [Misra, Durgamadhab] New Jersey Inst Technol, Dept Elect & Comp Engn, Newark, NJ 07102 USA. [Ravindra, Nuggehalli M.] New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. RP Budhraja, V (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. FU US Department of Energy FX The authors thank Dr. Ana Kanevce and Dr. Bhushan Sopori of National Renewable Energy Laboratory for their valuable input. The authors would also like to gratefully acknowledge the financial support rendered by the US Department of Energy for this contribution. NR 25 TC 0 Z9 0 U1 0 U2 0 PU ICE PUBLISHING PI WESTMINISTER PA INST CIVIL ENGINEERS, 1 GREAT GEORGE ST, WESTMINISTER SW 1P 3AA, ENGLAND SN 2046-0147 EI 2046-0155 J9 EMERG MATER RES JI Emerg. Mater. Res. PD FEB PY 2012 VL 1 IS 1 BP 25 EP 32 DI 10.1680/emr.11.00007 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA V41HJ UT WOS:000209537000004 ER PT J AU Oldenburg, CM AF Oldenburg, Curtis M. TI Why we need the 'and' in 'CO2 utilization and storage' SO GREENHOUSE GASES-SCIENCE AND TECHNOLOGY LA English DT Editorial Material C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Oldenburg, CM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RI Oldenburg, Curtis/L-6219-2013 OI Oldenburg, Curtis/0000-0002-0132-6016 NR 8 TC 6 Z9 6 U1 1 U2 9 PU WILEY PERIODICALS, INC PI SAN FRANCISCO PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA SN 2152-3878 J9 GREENH GASES JI Greenh. Gases PD FEB PY 2012 VL 2 IS 1 BP 1 EP 2 DI 10.1002/ghg.1274 PG 2 WC Energy & Fuels; Engineering, Environmental; Environmental Sciences SC Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 072TN UT WOS:000313695800001 ER PT J AU Damiani, D Litynski, JT McIlvried, HG Vikara, DM Srivastava, RD AF Damiani, Darin Litynski, John T. McIlvried, Howard G. Vikara, Derek M. Srivastava, Rameshwar D. TI The US Department of Energy's R&D program to reduce greenhouse gas emissions through beneficial uses of carbon dioxide SO GREENHOUSE GASES-SCIENCE AND TECHNOLOGY LA English DT Article DE CO2 mitigation; CO2 utilization; EOR; chemicals production; mineralization; plastics production ID OIL-RECOVERY; STORAGE; CO2 AB As high CO2-emitting utilities and other industries move toward implementing carbon capture and storage (CCS) technologies to manage greenhouse gas emissions, more and more CO2 will become available as a resource for multiple applications. CO2 will be a plentiful potential feedstock (carbon source) for many products, including commercial chemicals, plastics, and improved cement. Unfortunately, CO2 is a stable compound with a low energy state and does not readily participate in chemical reactions without added energy. Additionally, the supply of CO2 that may be available as the USA moves toward a carbon-constrained economy far exceeds the current demand for CO2 as a commodity chemical. Thus, identifying candidate chemistries and economically feasible approaches that utilize large amounts of CO2 as a feedstock for high-demand products is very challenging. The United States Department of Energy (DOE), through its National Energy Technology Laboratory (NETL), has an active carbon sequestration program. The goal of the CO2 Utilization Focus Area is to identify and develop a suite of technologies that can beneficially use CO2 to produce useful products that can generate revenue to offset capture costs associated with CCS implementation, contribute to CO2 emissions reductions, and reduce the demand for petroleum based feedstocks and products. Currently, projects being supported fall into the categories of (i) enhanced hydrocarbon recovery, (ii) chemicals production, (iii) mineralization processes for building products, and (iv) plastics production. This perspective discusses the current status of CO2 use and presents a review of DOE's program to identify and demonstrate uses for captured CO2. (c) 2011 Society of Chemical Industry and John Wiley & Sons, Ltd C1 [Litynski, John T.] US DOE, Natl Energy Technol Lab, Strateg Ctr Coal, Pittsburgh, PA USA. [Vikara, Derek M.; Srivastava, Rameshwar D.] KeyLog Syst, NETL, Dept Energys, Pittsburgh, PA USA. RP Damiani, D (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM darin.damiani@netl.doe.gov FU American Recovery and Reinvestment Act FX This project is currently supported with funding from the 2009 American Recovery and Reinvestment Act. NR 22 TC 15 Z9 15 U1 2 U2 25 PU WILEY PERIODICALS, INC PI SAN FRANCISCO PA ONE MONTGOMERY ST, SUITE 1200, SAN FRANCISCO, CA 94104 USA SN 2152-3878 J9 GREENH GASES JI Greenh. Gases PD FEB PY 2012 VL 2 IS 1 BP 9 EP 19 DI 10.1002/ghg.35 PG 11 WC Energy & Fuels; Engineering, Environmental; Environmental Sciences SC Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 072TN UT WOS:000313695800004 ER PT J AU Wang, DJ Huang, J Hu, Z AF Wang, Daojing Huang, Jing Hu, Zhi TI RNA Helicase DDX5 Regulates MicroRNA Expression and Contributes to Cytoskeletal Reorganization in Basal Breast Cancer Cells SO MOLECULAR & CELLULAR PROTEOMICS LA English DT Article ID P53 TUMOR-SUPPRESSOR; TRANSCRIPTIONAL COACTIVATOR; MOLECULAR PORTRAITS; PROGNOSTIC MARKER; GENE-EXPRESSION; P68; METASTASIS; INVASION; PROTEIN; KI-67 AB RNA helicase DDX5 (also p68) is involved in all aspects of RNA metabolism and serves as a transcriptional coregulator, but its functional role in breast cancer remains elusive. Here, we report an integrative biology study of DDX5 in breast cancer, encompassing quantitative proteomics, global MicroRNA profiling, and detailed biochemical characterization of cell lines and human tissues. We showed that protein expression of DDX5 increased progressively from the luminal to basal breast cancer cell lines, and correlated positively with that of CD44 in the basal subtypes. Through immunohistochemistry analyses of tissue microarrays containing over 200 invasive human ductal carcinomas, we observed that DDX5 was up-regulated in the majority of malignant tissues, and its expression correlated strongly with those of Ki67 and EGFR in the triple-negative tumors. We demonstrated that DDX5 regulated a subset of MicroRNAs including miR-21 and miR-182 in basal breast cancer cells. Knockdown of DDX5 resulted in reorganization of actin cytoskeleton and reduction of cellular proliferation. The effects were accompanied by up-regulation of tumor suppressor PDCD4 (a known miR-21 target); as well as up-regulation of cofilin and profilin, two key proteins involved in actin polymerization and cytoskeleton maintenance, as a consequence of miR-182 down-regulation. Treatment with miR-182 inhibitors resulted in morphologic phenotypes resembling those induced by DDX5 knockdown. Using bioinformatics tools for pathway and network analyses, we confirmed that the network for regulation of actin cytoskeleton was predominantly enriched for the predicted downstream targets of miR-182. Our results reveal a new functional role of DDX5 in breast cancer via the DDX5 -> miR-182 -> actin cytoskeleton pathway, and suggest the potential clinical utility of DDX5 and its downstream MicroRNAs in the theranostics of breast cancer. Molecular & Cellular Proteomics 11: 10.1074/mcp.M111.011932, 1-12, 2012. C1 [Wang, Daojing; Huang, Jing; Hu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Huang, Jing; Hu, Zhi] Univ Calif San Francisco, Helen Diller Family Comprehens Canc Ctr, San Francisco, CA 94143 USA. RP Wang, DJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd,MS 977, Berkeley, CA 94720 USA. EM djwang@lbl.gov FU California Breast Cancer Research Program; DOE, at the University of California/Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work was supported by an IDEA grant from the California Breast Cancer Research Program (to D.W.), and in part by grant U24 under the auspices of the DOE, at the University of California/Lawrence Berkeley National Laboratory under contract No. DE-AC02-05CH11231. NR 56 TC 1 Z9 2 U1 0 U2 3 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 1535-9476 EI 1535-9484 J9 MOL CELL PROTEOMICS JI Mol. Cell. Proteomics PD FEB PY 2012 VL 11 IS 2 AR M111.011932 DI 10.1074/mcp.M111.011932 PG 12 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 889EL UT WOS:000300056200014 PM 22086602 ER PT J AU Oostrom, M Wietsma, TW Strickland, CE Freedman, VL Truex, MJ AF Oostrom, M. Wietsma, T. W. Strickland, C. E. Freedman, V. L. Truex, M. J. TI Sensor and Numerical Simulator Evaluation for Porous Medium Desiccation and Rewetting at the Intermediate Laboratory Scale SO VADOSE ZONE JOURNAL LA English DT Article ID HEAT-PULSE METHOD; CALIBRATION; SANDS; PROBE AB Soil desiccation, in conjunction with surface infiltration control, is considered at the Hanford Site as a potential technology to limit the flux of technetium and other contaminants in the vadose zone to the groundwater. An intermediate-scale experiment was conducted to test the response of a series of instruments to desiccation and subsequent rewetting of porous media. The instruments include thermistors, thermocouple psychrometers, dual-probe heat pulse sensors, heat dissipation units, and humidity probes. The experiment was simulated with the multifluid flow simulator STOMP, using independently obtained hydraulic and thermal porous medium properties. All instrument types used for this experiment were able to indicate when the desiccation front passed a certain location. In most cases the changes were sharp, indicating rapid changes in moisture content, water potential, or humidity. However, a response to the changing conditions was recorded only when the drying front was very close to a sensor. Of the tested instruments, only the heat dissipation unit and humidity probes were able to detect rewetting. The numerical simulation results reasonably match the experimental data, indicating that the simulator captures the pertinent gas flow and transport processes related to desiccation and rewetting and may be useful in the design and analysis of field tests. C1 [Oostrom, M.; Strickland, C. E.; Freedman, V. L.; Truex, M. J.] Pacific NW Natl Lab, Div Energy & Environm, Richland, WA 99354 USA. [Wietsma, T. W.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. RP Oostrom, M (reprint author), Pacific NW Natl Lab, Div Energy & Environm, POB 999,MS K9-33, Richland, WA 99354 USA. EM mart.oostrom@pnl.gov FU CH2M Hill Plateau Remediation Company, Richland, WA; Department of Energy (DOE) [DE-AC06-76RLO 1830]; DOE's Office of Biological and Environmental Research FX Funding for this research was provided by CH2M Hill Plateau Remediation Company, Richland, WA. Pacific Northwest National Laboratory is operated by the Battelle Memorial Institute for the Department of Energy (DOE) under Contract DE-AC06-76RLO 1830. 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 PNNL. Scientists interested in conducting experimental work in the EMSL are encouraged to contact M. Oostrom (mart.oostrom@pnnl.gov). NR 23 TC 6 Z9 6 U1 0 U2 6 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD FEB PY 2012 VL 11 IS 1 DI 10.2136/vzj2011.0089 PG 10 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 952OT UT WOS:000304802500024 ER PT J AU Rupp, EC Granite, EJ Stanko, DC AF Rupp, Erik C. Granite, Evan J. Stanko, Dennis C. TI Catalytic formation of carbonyl sulfide during warm gas clean-up of simulated coal-derived fuel gas with Pd/gamma-Al2O3 sorbents SO FUEL LA English DT Article DE Carbonyl sulfide; Hydrogen sulfide; Palladium; Catalyst; Gasification ID HYDROGEN-SULFIDE; MERCURY CAPTURE; COS HYDROLYSIS; SHIFT REACTION; ALUMINA; ADSORPTION; MECHANISM; KINETICS AB Coal gasification processes, such as the Integrated Gasification Combined Cycle (IGCC), will increase in importance due to the expanding concern over CO2 emissions and global climate change. During the development of a Pd/gamma-Al2O3 sorbent for warm (200 degrees C) fuel gas cleanup, the catalytic formation of carbonyl sulfide (COS), was observed. This is attributed to a heterogeneous reaction involving fuel gas components (CO/CO2/H-2/H2S/H2O) and Pd/gamma-Al2O3. The concentration of COS increases 200-fold when exposed to the Pd/gamma-Al2O3 sorbent. A Langmuir-Hinshelwood reaction mechanism is proposed and a kinetic model is developed based on experimental results. The effect of gamma-Al2O3, a common catalyst for hydrolysis of COS, and H2O on the COS concentration is discussed. Published by Elsevier Ltd. C1 [Rupp, Erik C.; Granite, Evan J.; Stanko, Dennis C.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Granite, EJ (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM erik.rupp@gmail.com; evan.granite@netl.doe.gov; dennis.stanko@netl.doe.gov FU National Energy Technology Laboratory; DOE FX Erik C. Rupp thanks the National Energy Technology Laboratory for financial support through a postdoctoral fellowship administered by the Oak Ridge Institute for Science and Education (ORISE). We thank our colleagues at Johnson Matthey for providing valuable guidance as well as the Pd/Al2O3 sorbents. Support from Jenny Tennant, the DOE Gasification Program Manager, is greatly appreciated. References in this paper to any specific commercial product, process, or service, is to facilitate understanding and does not necessarily imply its endorsement by the US Department of Energy. NR 20 TC 8 Z9 8 U1 4 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 J9 FUEL JI Fuel PD FEB PY 2012 VL 92 IS 1 BP 211 EP 215 DI 10.1016/j.fuel.2011.06.055 PG 5 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 855NY UT WOS:000297572600027 ER PT J AU Fernandes, HR Tulyaganov, DU Goel, A Ferreira, JMF AF Fernandes, Hugo R. Tulyaganov, Dilshat U. Goel, Ashutosh Ferreira, Jose M. F. TI Effect of K2O on structure-property relationships and phase transformations in Li2O-SiO2 glasses SO JOURNAL OF THE EUROPEAN CERAMIC SOCIETY LA English DT Article DE Glass; Glass ceramics; Lithium disilicate; Thermo-physical properties ID LITHIUM DISILICATE GLASS; CRYSTALLIZATION KINETICS; MAS-NMR; CERAMICS; STRENGTH; MICROSTRUCTURE; AL2O3 AB Glass compositions with formula (71.78 - x)SiO2-2.63Al(2)O(3) (2.63 + x)K2O-23.7Li(2)O (mol.%, x = 0-10) and SiO2/Li2O molar ratios far beyond that of stoichiometric lithium disilicate (Li2Si2O5) were prepared by conventional melt-quenching technique to investigate the influence of K2O content on structural transformations and devitrification behaviour of glasses in the Li2O-SiO2 system. The scanning electron microscopy (SEM) examination of as cast non-annealed glasses revealed the presence of nanosized droplets in glassy matrices suggesting occurrence of liquid liquid phase separation. An overall trend towards depolymerization of the silicate glass network with increasing K2O content was demonstrated by employing magic angle spinning-nuclear magnetic resonance (MAS-NMR) spectroscopy. The distribution of structural units in the experimental glasses was estimated using Si-29 MAS-NMR spectroscopy suggesting the appearance of Q(2), enhancement of Q(3) and diminishing of Q(4) groups with increasing K2O contents. X-ray diffraction (XRD) and differential thermal analysis (DTA) were used to assess the influence of K2O on devitrification process and formation of lithium disilicate (Li2Si2O5) and/or lithium metasilicate (Li2SiO3) crystalline phases. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Fernandes, Hugo R.; Tulyaganov, Dilshat U.; Ferreira, Jose M. F.] Univ Aveiro, CICECO, Dept Ceram & Glass Engn, P-3810193 Aveiro, Portugal. [Tulyaganov, Dilshat U.] Turin Polytech Univ Tashkent, Tashkent 100174, Uzbekistan. [Goel, Ashutosh] Pacific NW Natl Lab, Glass Proc Grp, Radiol & Nucl Sci & Technol Div, Richland, WA 99354 USA. RP Fernandes, HR (reprint author), Univ Aveiro, CICECO, Dept Ceram & Glass Engn, P-3810193 Aveiro, Portugal. EM h.r.fernandes@ua.pt RI Goel, Ashutosh/J-9972-2012; OI Fernandes, Hugo/0000-0002-9689-3127 FU CICECO; FCT, Portugal [SFRH/BD/41307/2007] FX Hugo R. Fernandes is grateful for the financial support of CICECO and for the PhD grant (SFRH/BD/41307/2007) from the FCT, Portugal. NR 24 TC 18 Z9 21 U1 1 U2 33 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0955-2219 J9 J EUR CERAM SOC JI J. Eur. Ceram. Soc. PD FEB PY 2012 VL 32 IS 2 BP 291 EP 298 DI 10.1016/j.jeurceramsoc.2011.09.017 PG 8 WC Materials Science, Ceramics SC Materials Science GA 859RT UT WOS:000297894200008 ER PT J AU Allouche, A Krstic, PS AF Allouche, A. Krstic, P. S. TI Atomic hydrogen adsorption on lithium-doped graphite surfaces SO CARBON LA English DT Article ID DENSITY-FUNCTIONAL THEORY; DISSOCIATIVE ADSORPTION; HYDROCARBON FILMS; CARBON MATERIALS; CLUSTER-MODEL; AB-INITIO; STORAGE; MOLECULES; BULK; ION AB The effects of lithium doping of pristine and defective graphite surfaces on hydrogen adsorption are studied by the first-principles Plane-Wave Density Functional Theory. The surface defects are simulated by a single atomic vacancy. The DFT calculation is corrected for long-range effects through semi-empirical London terms for each constituent of the system. The lithium doping of the graphite surfaces notably reinforces hydrogen atom binding. Qualitative comparison with experimental results is given using the lithium is energy level shifts induced by the atomic vacancy and/or hydrogen trapping. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Allouche, A.] CNRS, F-13397 Marseille 20, France. [Allouche, A.] Univ Aix Marseille 1, F-13397 Marseille 20, France. [Krstic, P. S.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Allouche, A (reprint author), CNRS, Campus St Jerome,Serv 242, F-13397 Marseille 20, France. EM alain.allouche@univ-provence.fr FU European Community; French Research Federation; "Agence Nationale de la Recherche" (ANR) [ANR-06-BLAN-0008-01]; Office of Fusion Energy Sciences of USDOE FX The authors are grateful for the discussions on the experimental results with J.P. Allain and C. Taylor. This work, supported by the European Communities under the partnering contract with EURATOM-CEA, and with the French Research Federation for fusion studies, was carried out within the framework of the European Fusion Development Agreement. The views and opinions expressed herein do not necessarily reflect those of the European Commission. It was also supported by the "Agence Nationale de la Recherche" (ANR CAMITER No. ANR-06-BLAN-0008-01). The authors of this work were granted access to the HPC resources of [CCRT/CINES/IDRIS] under the allocation i2010080509 made by GEN-CI (Grand Equipement National de Calcul Intensif). PSK acknowledges support of Office of Fusion Energy Sciences of USDOE. NR 59 TC 11 Z9 11 U1 1 U2 20 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 FEB PY 2012 VL 50 IS 2 BP 510 EP 517 DI 10.1016/j.carbon.2011.09.006 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 853AD UT WOS:000297397700019 ER PT J AU Michelsen, HA Schrader, PE Goulay, F AF Michelsen, Hope A. Schrader, Paul E. Goulay, Fabien TI Wavelength and temperature dependence of the absorption and scattering cross sections of soot (vol 48, pg 2175, 2010) SO CARBON LA English DT Correction C1 [Michelsen, Hope A.; Schrader, Paul E.; Goulay, Fabien] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Michelsen, HA (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969,MS 9055, Livermore, CA 94551 USA. EM hamiche@sandia.gov NR 2 TC 4 Z9 4 U1 2 U2 16 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 FEB PY 2012 VL 50 IS 2 BP 740 EP 740 DI 10.1016/j.carbon.2011.09.009 PG 1 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 853AD UT WOS:000297397700047 ER PT J AU Xu, TF Sathaye, J Akbari, H Garg, V Tetali, S AF Xu, Tengfang Sathaye, Jayant Akbari, Hashem Garg, Vishal Tetali, Surekha TI Quantifying the direct benefits of cool roofs in an urban setting: Reduced cooling energy use and lowered greenhouse gas emissions SO BUILDING AND ENVIRONMENT LA English DT Article DE Urban heat-island; Cool roof; Energy savings; Greenhouse gas; Mitigation measure; Field-based analytical method ID HEAT-ISLAND; AIR-QUALITY; AREAS AB Cool roofs, cool pavements, and urban vegetation reduce cooling energy use in buildings, lower local air pollution, and decrease greenhouse gas (GHG) emissions from urban areas. To promote widespread and large-scale implementation of cool roofs to moderate urban heat-island phenomenon, more awareness and understanding of cool roof benefits at the local level is needed. As part of an investigation of strategies to mitigate urban heat-island effects, field data gathered from a monitoring project on cool roofs in India were reviewed. An innovative field-based analytical method was developed to quantify cooling energy savings resulting from the installation of cool roofs on commercial buildings. For buildings monitored in the Metropolitan Hyderabad region, the measured annual energy savings from roof-whitening of previously black roofs ranged from 20 to 22 kWh/m(2) of roof area, corresponding to a cooling energy use reduction of 14-26%. The application of white coatings to uncoated concrete roofs resulted in annual savings of 13-14 kWh/m(2) of roof area, corresponding to cooling energy savings of 10 -19%. The annual direct CO(2) reductions associated with the reduced cooling energy use were estimated to be 11-12 kg CO(2)/m(2) of flat roof area. Additional field work on various building types and locations will help to understand magnitudes of regional or global potential in energy savings and GHG emission reductions from applying cool roofs. Knowledge about quantified cool roof benefits at both the local and regional level may promote the formulation of new policies and programs throughout the world. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Xu, Tengfang; Sathaye, Jayant] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Akbari, Hashem] Concordia Univ, Dept Bldg Civil & Environm Engn, Montreal, PQ, Canada. [Garg, Vishal; Tetali, Surekha] IIIT, Hyderabad, Andhra Pradesh, India. RP Xu, TF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd,MS90R4000, Berkeley, CA 94720 USA. EM TTXu@LBL.Gov RI Garg, Vishal/H-7898-2016 OI Garg, Vishal/0000-0002-2599-2785 FU USAID FX This work was sponsored by USAID. The authors would like to acknowledge the field work performed by individuals from LBNL and IIIT included in [17], and a U.S. cool roof manufacturer that provided in-kind support for applying roof coatings. This paper benefits from valuable comments from anonymous reviewers for the journal, and graphic assistance of Anthony Ma. NR 19 TC 37 Z9 38 U1 3 U2 29 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1323 J9 BUILD ENVIRON JI Build. Environ. PD FEB PY 2012 VL 48 BP 1 EP 6 DI 10.1016/j.buildenv.2011.08.011 PG 6 WC Construction & Building Technology; Engineering, Environmental; Engineering, Civil SC Construction & Building Technology; Engineering GA 850GO UT WOS:000297183300001 ER PT J AU Liu, GP Liu, MS AF Liu, Guopeng Liu, Mingsheng TI Development of simplified in-situ fan curve measurement method using the manufacturers fan curve SO BUILDING AND ENVIRONMENT LA English DT Article DE Fan curve; Airflow measurement; Fan airflow station; Variable airflow volume; System effect factors; Building pressure control ID SYSTEMS AB A simplified in-situ fan curve measurement procedure has been developed using the manufacturers fan curve and one point (air flow and fan head) measurement. This paper presents the background theory, methodology, error analysis and step-by-step procedure developed for the practitioners. This in-situ method has been experimentally proven in full-scale air handling unit (AHU) systems. The results show that the fan curve identified using this simplified approach agrees with the fan curve identified using the point-by-point direct measurement method. Both the error analysis and the experiment show that the generated in-situ fan curve with least system resistance most closely matches the measured in-situ curve (cv-RMSE = 4.7%). The differences of the fan heads predicted by the fan curves are within the experimental error range. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Liu, Guopeng] Pacific NW Natl Lab, Richland, WA 99352 USA. [Liu, Mingsheng] Univ Nebraska, Omaha, NE 68182 USA. RP Liu, GP (reprint author), Pacific NW Natl Lab, POB 999,MSIN K5-16, Richland, WA 99352 USA. EM guopeng.liu@pnnl.gov; mliu2@unl.edu NR 26 TC 3 Z9 3 U1 2 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1323 EI 1873-684X J9 BUILD ENVIRON JI Build. Environ. PD FEB PY 2012 VL 48 BP 77 EP 83 DI 10.1016/j.buildenv.2011.08.017 PG 7 WC Construction & Building Technology; Engineering, Environmental; Engineering, Civil SC Construction & Building Technology; Engineering GA 850GO UT WOS:000297183300009 ER PT J AU He, LL Chathoth, SM Melnichenko, YB Presser, V McDonough, J Gogotsi, Y AF He, Lilin Chathoth, Suresh M. Melnichenko, Yuri B. Presser, Volker McDonough, John Gogotsi, Yury TI Small-angle neutron scattering characterization of the structure of nanoporous carbons for energy-related applications SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE Carbide-derived porous carbon; Structure; SANS; Sorption ID CARBIDE-DERIVED CARBONS; DENSITY-FUNCTIONAL THEORY; PORE-SIZE; ADSORPTION-ISOTHERMS; ACTIVATED CARBONS; HYDROGEN STORAGE; POROUS SOLIDS; POROSITY; CAPACITANCE; SURFACE AB We used small-angle neutron scattering (SANS) and neutron contrast variation to study the structure of four nanoporous carbons prepared by thermo-chemical etching of titanium carbide TiC in chlorine at 300, 400, 600, and 800 degrees C with pore diameters ranging between similar to 4 and similar to 11 angstrom. SANS patterns were obtained from dry samples and samples saturated with deuterium oxide (D2O) in order to delineate origin of the power law scattering in the low Q domain as well as to evaluate pore accessibility for D2O molecules. SANS cross section of all samples was fitted to Debye-Anderson-Brumberger (DAB), DAB-Kirste-Porod models as well as to the Guinier and modified Guinier formulae for cylindrical objects, which allowed for evaluating the radii of gyration as well as the radii and lengths of the pores under cylindrical shape approximation. SANS data from D2O-saturated samples indicate that strong upturn in the low Q limit usually observed in the scattering patterns from microporous carbon powders is due to the scattering from outer surface of the powder particles. Micropores are only partially filled with D2O molecules due to geometrical constraints and or partial hydrophobicity of the carbon matrix. Structural parameters of the dry carbons obtained using SANS are compared with the results of the gas sorption measurements and the values agree for carbide-derived carbons (CDCs) obtained at high chlorination temperatures (>600 degrees C). For lower chlorination temperatures, pore radii obtained from gas sorption overestimate the actual pore size as calculated from SANS for two reasons: inaccessible small pores are present and the model-dependent fitting based on density functional theory models assumes non-spherical pores, whereas SANS clearly indicates that the pore shape in microporous CDC obtained at low chlorination temperatures is nearly spherical. (C) 2011 Elsevier Inc. All rights reserved. C1 [He, Lilin; Chathoth, Suresh M.; Melnichenko, Yuri B.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Presser, Volker; McDonough, John; Gogotsi, Yury] Drexel Univ, AJ Drexel Nanotechnol Inst DNI, Philadelphia, PA 19104 USA. [Presser, Volker; McDonough, John; Gogotsi, Yury] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. RP Melnichenko, YB (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. EM melnichenkoy@ornl.gov; gogotsi@drexel.edu RI Mavila Chathoth, Suresh/E-7560-2010; Presser, Volker/F-1975-2010; Gogotsi, Yury/B-2167-2008; OI Mavila Chathoth, Suresh/0000-0002-4120-6959; Presser, Volker/0000-0003-2181-0590; Gogotsi, Yury/0000-0001-9423-4032; He, Lilin/0000-0002-9560-8101 FU Laboratory Directed Research and Development Program; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; ORNL; Alexander von Humboldt Foundation FX This Research at Oak Ridge National Laboratory's High Flux Isotope Reactor 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. This research was supported in part by the ORNL Postdoctoral Research Associates Program, administered jointly by the ORNL and the Oak Ridge Institute for Science and Education. VP acknowledges financial support from the Alexander von Humboldt Foundation. NR 45 TC 15 Z9 15 U1 6 U2 34 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-1811 EI 1873-3093 J9 MICROPOR MESOPOR MAT JI Microporous Mesoporous Mat. PD FEB 1 PY 2012 VL 149 IS 1 BP 46 EP 54 DI 10.1016/j.micromeso.2011.08.035 PG 9 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 846WF UT WOS:000296933200006 ER PT J AU Willems, TF Rycroft, C Kazi, M Meza, JC Haranczyk, M AF Willems, Thomas F. Rycroft, Chris Kazi, Michaeel Meza, Juan C. Haranczyk, Maciej TI Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE Largest free sphere; Largest included sphere; Accessible surface area; Accessible volume; Channel dimensionality ID METAL-ORGANIC FRAMEWORKS; MOLECULAR SIMULATIONS; SHAPE SELECTIVITY; CARBON-DIOXIDE; PORE-SIZE; ZEOLITES; ADSORPTION; PERCOLATION; SEPARATION; DIFFUSION AB Crystalline porous materials have a variety of uses, such as for catalysis and separation. Identifying suitable materials for a given application can, in principle, be done by screening material databases. Such a screening requires automated high-throughput analysis tools that calculate structural properties for all materials contained in a database so they can be compared with search queries, grouped or classified. One important aspect of the structural analysis of materials such as zeolites and metal organic frameworks is the investigation of the geometrical parameters describing pores. Here, we present algorithms and tools to efficiently calculate some of these important parameters. Our tools are based on the Voronoi decomposition, which for a given arrangement of atoms in a periodic domain provides a graph representation of the void space. The resulting Voronoi network is analyzed to obtain the diameter of the largest included sphere and the largest free sphere, which are two geometrical parameters that are frequently used to describe pore geometry. Accessibility of nodes in the network is also determined for a given guest molecule and the resulting information is later used to retrieve dimensionality of channel systems as well as in Monte Carlo sampling of accessible surfaces and volumes. The presented algorithms are implemented in a software tool, Zeo++, which includes a modified version of the Voro++ library. We present example applications of our algorithms and tools using zeolite frameworks currently listed in the Atlas of Zeolite Frameworks. (C) 2011 Elsevier Inc. All rights reserved. C1 [Willems, Thomas F.; Rycroft, Chris; Kazi, Michaeel; Meza, Juan C.; Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. [Rycroft, Chris; Kazi, Michaeel] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. RP Haranczyk, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, 1 Cyclotron Rd,Mail Stop 50F-1650, Berkeley, CA 94720 USA. EM chr@math.berkeley.edu; mharanczyk@lbl.gov RI Meza, Juan/B-5601-2012; EFRC, CGS/I-6680-2012; Haranczyk, Maciej/A-6380-2014; Stangl, Kristin/D-1502-2015; OI Haranczyk, Maciej/0000-0001-7146-9568; Rycroft, Chris/0000-0003-4677-6990; Meza, Juan/0000-0003-4543-0349 FU US Department of Energy [DE-AC02-05CH11231]; DOE Office of Basic Energy Sciences; Office of Advanced Scientific Computing Research [CSNEW918]; Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001015]; Office of Science of the U.S. Department of Energy [AC02-05CH11231] FX The authors would like to thank Prof. Berend Smit for many fruitful discussions. This research was supported by the US Department of Energy under contract DE-AC02-05CH11231. This work was also supported in part (to M.H. and T.F.W.) jointly by DOE Office of Basic Energy Sciences and the Office of Advanced Scientific Computing Research through SciDAC project #CSNEW918 entitled "Knowledge guided screening tools for identification of porous materials for CO2 separations". J.C.M. and T.F.W were also supported as part of the Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001015. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 45 TC 135 Z9 135 U1 10 U2 78 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-1811 EI 1873-3093 J9 MICROPOR MESOPOR MAT JI Microporous Mesoporous Mat. PD FEB 1 PY 2012 VL 149 IS 1 BP 134 EP 141 DI 10.1016/j.micromeso.2011.08.020 PG 8 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 846WF UT WOS:000296933200018 ER PT J AU Yun, CY Dhital, D Lee, JR Park, G Kwon, IB AF Yun, Chang-Yong Dhital, Dipesh Lee, Jung-Ryul Park, Gyuhae Kwon, Il-Bum TI Design of multiplexed fiber optic chemical sensing system using clad-removable optical fibers SO OPTICS AND LASER TECHNOLOGY LA English DT Article DE Multiplexed fiber optic sensor; Liquid chemical sensing; Optical time domain reflectometer ID SURFACE-PLASMON RESONANCE; BRAGG GRATINGS; SENSOR; FLUORESCENCE; SENSITIVITY; ABLATION AB To prevent possible threats to public safety and economic loss from chemical leakage accidents, novel chemical sensing techniques for regular monitoring and leakage detection have been developed for various fields. We propose a fiber optic liquid chemical sensor (FOCS) system using specialty optical fibers and an optical time domain reflectometer (OTDR), and is based on the leaky wave mode sensing principle. OTDR enables simple multiplexing where individual sensor nodes along the fiber length could be interrogated by a common OTDR. The sensor node in the optical fiber is prepared by removing the desired length of a protective layer using mechanical stripping and chemical etching techniques. A novel laser stripping technique with superior capability to fabricate quasi-distributed dense sensor nodes is devised as well. The FOCS system is further analyzed to characterize the sensor response behavior in relation to the sensor node length and possible environmental and chemical temperature effect. Under the condition satisfying the leaky wave mode principle and within the minimum acceptable refractive index (RI) range by the system, this FOCS system could monitor numerous liquid chemicals with variable refractive indices and has been tested with positive results. In addition, the system shows the possibility for multi-point detection and is further expanded into a hybrid technique capable of estimating the refractive index range of the detected chemical. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Yun, Chang-Yong; Dhital, Dipesh; Lee, Jung-Ryul] Chonbuk Natl Univ, Dept Aerosp Engn, Jeonju 561756, South Korea. [Yun, Chang-Yong; Dhital, Dipesh; Lee, Jung-Ryul] Chonbuk Natl Univ, LANL CBNU Engn Inst Korea, Jeonju 561756, South Korea. [Park, Gyuhae] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA. [Kwon, Il-Bum] Korea Res Inst Stand & Sci, Yuseong 305340, Daejon, South Korea. RP Lee, JR (reprint author), Chonbuk Natl Univ, Dept Aerosp Engn, 567 Baekje Daero, Jeonju 561756, South Korea. EM leejrr@jbnu.ac.kr RI Lee, Jung-Ryul/B-3266-2015 FU Leading Foreign Research Institute through the National Research Foundation of Korea; Ministry of Education, Science and Technology; Korea Research Institute of Standards and Science; Korea Ministry of Land, Transport and Maritime Affairs FX This research was supported by the Leading Foreign Research Institute Recruitment Program through the National Research Foundation of Korea funded by the Ministry of Education, Science and Technology (2011). This work was also supported by the Program for Korea Research Institute of Standards and Science and the Korea Ministry of Land, Transport and Maritime Affairs as the Haneul Project. NR 42 TC 6 Z9 6 U1 0 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0030-3992 EI 1879-2545 J9 OPT LASER TECHNOL JI Opt. Laser Technol. PD FEB PY 2012 VL 44 IS 1 BP 269 EP 280 DI 10.1016/j.optlastec.2011.07.002 PG 12 WC Optics; Physics, Applied SC Optics; Physics GA 825VZ UT WOS:000295311500047 ER PT J AU Sanders, JD Laursen, TA Puso, MA AF Sanders, Jessica D. Laursen, Tod A. Puso, Michael A. TI A Nitsche embedded mesh method SO COMPUTATIONAL MECHANICS LA English DT Article DE Embedded mesh; Nitsche's method; Interfaces ID FINITE-ELEMENT-METHOD; FLUID-STRUCTURE INTERACTION; BOUNDARY-CONDITIONS; INTERFACE PROBLEMS; CHIMERA METHOD; ELASTICITY AB A new technique for treating the mechanical interactions of overlapping finite element meshes is proposed. Numerous names have been applied to related approaches, here we refer to such techniques as embedded mesh methods. Such methods are useful for numerous applications e. g., fluid-solid interaction with a superposed meshed solid on an Eulerian background fluid grid or solid-solid interaction with a superposed meshed particle on a matrix background mesh etc. In this work we consider the interaction of two elastic domains: one mesh is the foreground and defines the surface of interaction, the other is a background mesh and is often a grid. We first employ a classical mortar type approach [see Baaijens (Int J Numer Methods Eng 35: 743-761, 2001)] to impose constraints on the interface. It turns out that this approach will work well except in special cases. In fact, many related approaches can exhibit mesh locking under certain conditions. This motivates the proposed version of Nitsche's method which is shown to eliminate the locking phenomenon in example problems. C1 [Sanders, Jessica D.; Puso, Michael A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Laursen, Tod A.] Khalifa Univ Sci Technol & Res, Abu Dhabi, U Arab Emirates. RP Sanders, JD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM sanders39@llnl.gov; puso@llnl.gov; laursen@kustar.ac.ae OI Laursen, Tod/0000-0003-4704-7730 FU Department of Defense; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The work of J. D. Sanders was made possible by the Department of Defense National Defense Science and Engineering Grant Program. The work of M. A. Puso was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 23 TC 22 Z9 22 U1 0 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0178-7675 J9 COMPUT MECH JI Comput. Mech. PD FEB PY 2012 VL 49 IS 2 BP 243 EP 257 DI 10.1007/s00466-011-0641-2 PG 15 WC Mathematics, Interdisciplinary Applications; Mechanics SC Mathematics; Mechanics GA 895TR UT WOS:000300519800007 ER PT J AU Altman, SJ Jensen, RP Cappelle, MA Sanchez, AL Everett, RL Anderson, HL McGrath, LK AF Altman, Susan J. Jensen, Richard P. Cappelle, Malynda A. Sanchez, Andres L. Everett, Randy L. Anderson, Howard L., Jr. McGrath, Lucas K. TI Membrane treatment of side-stream cooling tower water for reduction of water usage SO DESALINATION LA English DT Article DE Cooling tower; Nanofiltration; Reverse osmosis; Water treatment; Water use reduction; Silica scaling ID RO AB A pilot study was conducted to determine whether membrane treatment on a side stream of recirculating cooling-tower water could reduce overall water usage and discharge. The treated permeate was returned to the cooling tower while the concentrate was discharged to the sanitary sewer. Flow rates, pressures and water chemistry were monitored. The pilot demonstrated potential substantial water savings. Maximum make-up water and discharge reduction were 16% and 49%, respectively. As high as possible permeate recovery is needed to maximize water conservation. Silica scaling on the membranes limited water savings in this pilot. Development of membranes with a solute-rejection capacity less than the 92% average of the membranes used in the pilot would assist in optimizing water savings. Decreased water outlays compensated for the additional energy used by membrane treatment. Scaling control is critical for economic operation. (C) 2011 Elsevier B.V. All rights reserved. C1 [Altman, Susan J.; Everett, Randy L.; Anderson, Howard L., Jr.] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. [Jensen, Richard P.] Sandia Natl Labs, Natl Secur Applicat Dept, Albuquerque, NM 87185 USA. [Cappelle, Malynda A.] Univ Texas El Paso, Ctr Inland Desalinat Syst, El Paso, TX 79968 USA. [Sanchez, Andres L.] Sandia Natl Labs, Fire & Aerosol Sci Dept, Albuquerque, NM 87185 USA. [McGrath, Lucas K.] LMATA Govt Serv LLC, Albuquerque, NM 87185 USA. RP Altman, SJ (reprint author), Sandia Natl Labs, Dept Geochem, POB 5800,MS-0754, Albuquerque, NM 87185 USA. EM sjaltma@sandia.gov FU U.S. Department of Energy's National Energy Technology Laboratory (DOE/NETL); U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was primarily funded by the U.S. Department of Energy's National Energy Technology Laboratory (DOE/NETL). The NETL sponsors for this project were Isaac "Andy" Aurelio and Andrea McNemar, Project Managers, and Jared Ciferno, Technology Manager for the Existing Plants, Emissions and Capture Program. The authors would also like to acknowledge the contributions of DOE/NETL colleague Lynn Brickett. This NETL management team provided guidance and technical oversight for this study. We thank Pat Brady and three anonymous reviewers for their careful reviews of this manuscript. We thank Joe Zigmond from the Industrial Hygiene Analytical Chemistry Program at Sandia National Laboratories for the cation and anion analyses performed. Jackie Rowel and Matthew Kirk are thanked for their alkalinity and silica measurements. SEM-EDS analyses were performed by Tom Stewart. Stan Lueck from RODI systems is thanked for working with us to design and build the water treatment system. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 17 TC 13 Z9 13 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0011-9164 J9 DESALINATION JI Desalination PD JAN 31 PY 2012 VL 285 BP 177 EP 183 DI 10.1016/j.desal.2011.09.052 PG 7 WC Engineering, Chemical; Water Resources SC Engineering; Water Resources GA 895ED UT WOS:000300478100023 ER PT J AU Yoo, SY Oh, JW Lee, SW AF Yoo, So Young Oh, Jin-Woo Lee, Seung-Wuk TI Phage-Chips for Novel Optically Readable Tissue Engineering Assays SO LANGMUIR LA English DT Article ID SOFT LITHOGRAPHY; STEM-CELLS; DIFFERENTIATION; MONOLAYERS; MATRICES AB We report novel phage-based array chips that are optically readable for cell proliferation and morphology assays. Using M13 phages that were engineered to display RGD on its major coat proteins and/or immobilize FGFb on its minor coat proteins, we prepared arrays of phage spot matrices composed of self-assembled nanofibrous network structures. We cultured fibroblasts on the arrays and, using surface plasmon resonance (SPR) spectroscopy, monitored the effects of the biochemical cues displayed by the phage on cell proliferation and morphology. This study demonstrates the utility of engineered phages as promising coating materials for lab-on-a-chip (LOC) platforms, allowing sensitive monitoring of the effects of functional peptides on cell growth. Phage-chips have great potential for use as high-throughput screening systems for biochemical assays and biosensors and the discovery of novel drugs. C1 [Lee, Seung-Wuk] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley Nanosci & Nanoengn Inst, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Lee, SW (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. EM leesw@berkeley.edu FU Hellman Family Faculty; Berkeley Nanoscience and Nanoengineering Institute at the University of California, Berkeley; Lawrence Berkeley National Laboratory FX This work was supported by the Hellman Family Faculty Fund, start-up funds from the Berkeley Nanoscience and Nanoengineering Institute at the University of California, Berkeley, and the Laboratory Directed Research and Development fund from the Lawrence Berkeley National Laboratory. NR 32 TC 16 Z9 18 U1 1 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JAN 31 PY 2012 VL 28 IS 4 BP 2166 EP 2172 DI 10.1021/la203840n PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 894ZN UT WOS:000300466100031 PM 22149649 ER PT J AU Amole, C Andresen, GB Ashkezari, MD Baquero-Ruiz, M Bertsche, W Butler, E Cesar, CL Chapman, S Charlton, M Deller, A Eriksson, S Fajans, J Friesen, T Fujiwara, MC Gill, DR Gutierrez, A Hangst, JS Hardy, WN Hayden, ME Humphries, AJ Hydomako, R Kurchaninov, L Jonsell, S Madsen, N Menary, S Nolan, P Olchanski, K Olin, A Povilus, A Pusa, P Robicheaux, F Sarid, E Silveira, DM So, C Storey, JW Thompson, RI van der Werf, DP Wurtele, JS AF Amole, C. Andresen, G. B. Ashkezari, M. D. Baquero-Ruiz, M. Bertsche, W. Butler, E. Cesar, C. L. Chapman, S. Charlton, M. Deller, A. Eriksson, S. Fajans, J. Friesen, T. Fujiwara, M. C. Gill, D. R. Gutierrez, A. Hangst, J. S. Hardy, W. N. Hayden, M. E. Humphries, A. J. Hydomako, R. Kurchaninov, L. Jonsell, S. Madsen, N. Menary, S. Nolan, P. Olchanski, K. Olin, A. Povilus, A. Pusa, P. Robicheaux, F. Sarid, E. Silveira, D. M. So, C. Storey, J. W. Thompson, R. I. van der Werf, D. P. Wurtele, J. S. TI Discriminating between antihydrogen and mirror-trapped antiprotons in a minimum-B trap SO NEW JOURNAL OF PHYSICS LA English DT Article ID AUTORESONANT NONSTATIONARY EXCITATION; MAGNETIC TRAP; CONFINEMENT; PLASMAS; ATOMS AB Recently, antihydrogen atoms were trapped at CERN in a magnetic minimum (minimum-B) trap formed by superconducting octupole and mirror magnet coils. The trapped antiatoms were detected by rapidly turning off these magnets, thereby eliminating the magnetic minimum and releasing any antiatoms contained in the trap. Once released, these antiatoms quickly hit the trap wall, whereupon the positrons and antiprotons in the antiatoms annihilate. The antiproton annihilations produce easily detected signals; we used these signals to prove that we trapped antihydrogen. However, our technique could be confounded by mirror-trapped antiprotons, which would produce seemingly identical annihilation signals upon hitting the trap wall. In this paper, we discuss possible sources of mirror-trapped antiprotons and show that antihydrogen and antiprotons can be readily distinguished, often with the aid of applied electric fields, by analyzing the annihilation locations and times. We further discuss the general properties of antiproton and antihydrogen trajectories in this magnetic geometry, and reconstruct the antihydrogen energy distribution from the measured annihilation time history. C1 [Baquero-Ruiz, M.; Chapman, S.; Fajans, J.; Povilus, A.; So, C.; Wurtele, J. S.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Amole, C.; Menary, S.] York Univ, Dept Phys & Astron, Toronto, ON M3J 1P3, Canada. [Andresen, G. B.; Hangst, J. S.] Aarhus Univ, Dept Phys & Astron, DK-8000 Aarhus C, Denmark. [Ashkezari, M. D.; Hayden, M. E.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Bertsche, W.; Butler, E.; Charlton, M.; Deller, A.; Eriksson, S.; Humphries, A. J.; Madsen, N.; van der Werf, D. P.] Swansea Univ, Coll Sci, Dept Phys, Swansea SA2 8PP, W Glam, Wales. [Butler, E.] CERN, Dept Phys, CH-1211 Geneva 23, Switzerland. [Cesar, C. L.; Silveira, D. M.] Univ Fed Rio de Janeiro, Inst Fis, BR-21941972 Rio De Janeiro, Brazil. [Fajans, J.; Wurtele, J. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Friesen, T.; Hydomako, R.; Thompson, R. I.] Univ Calgary, Dept Phys & Astron, Calgary, AB T2N 1N4, Canada. [Fujiwara, M. C.; Gill, D. R.; Kurchaninov, L.; Olchanski, K.; Olin, A.; Storey, J. W.] TRIUMF, Vancouver, BC V6T 2A3, Canada. [Gutierrez, A.; Hardy, W. N.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z4, Canada. [Jonsell, S.] Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. [Nolan, P.; Pusa, P.] Univ Liverpool, Dept Phys, Liverpool L69 7ZE, Merseyside, England. [Robicheaux, F.] Auburn Univ, Dept Phys, Auburn, AL 36849 USA. [Sarid, E.] Nucl Res Ctr Negev, Dept Phys, IL-84190 Beer Sheva, Israel. RP Fajans, J (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM joel@physics.berkeley.edu RI Robicheaux, Francis/F-4343-2014; Madsen, Niels/G-3548-2013; 1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Bertsche, William/A-3678-2012; Jonsell, Svante/J-2251-2016; wurtele, Jonathan/J-6278-2016; Fajans, Joel/J-6597-2016 OI Deller, Adam/0000-0002-3430-1501; Andresen, Gorm Bruun/0000-0002-4820-020X; van der Werf, Dirk/0000-0001-5436-5214; Robicheaux, Francis/0000-0002-8054-6040; Madsen, Niels/0000-0002-7372-0784; Butler, Eoin/0000-0003-0947-7166; Bertsche, William/0000-0002-6565-9282; Jonsell, Svante/0000-0003-4969-1714; wurtele, Jonathan/0000-0001-8401-0297; Fajans, Joel/0000-0002-4403-6027 FU CNPq (Brazil); FINEP/RENAFAE (Brazil); ISF (Israel); MEXT (Japan); FNU (Denmark); VR (Sweden); NSERC (Canada); NRC/TRIUMF (Canada); AITF (Canada); FQRNT (Canada); DOE (USA); NSF (USA); EPSRC; Royal Society; Leverhulme Trust (UK) FX This work was supported by CNPq, FINEP/RENAFAE (Brazil), ISF (Israel), MEXT (Japan), FNU (Denmark), VR (Sweden), NSERC, NRC/TRIUMF, AITF, FQRNT (Canada), DOE, NSF (USA) and EPSRC, the Royal Society and the Leverhulme Trust (UK). NR 38 TC 11 Z9 11 U1 0 U2 8 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 JAN 31 PY 2012 VL 14 AR 015010 DI 10.1088/1367-2630/14/1/015010 PG 34 WC Physics, Multidisciplinary SC Physics GA 894GS UT WOS:000300415700004 ER PT J AU Popova, EE Yool, A Coward, AC Dupont, F Deal, C Elliott, S Hunke, E Jin, MB Steele, M Zhang, JL AF Popova, Ekaterina E. Yool, Andrew Coward, Andrew C. Dupont, Frederic Deal, Clara Elliott, Scott Hunke, Elizabeth Jin, Meibing Steele, Mike Zhang, Jinlun TI What controls primary production in the Arctic Ocean? Results from an intercomparison of five general circulation models with biogeochemistry SO JOURNAL OF GEOPHYSICAL RESEARCH-OCEANS LA English DT Article ID SEA-ICE DYNAMICS; NUMERICAL-MODEL; FOOD WEBS; ECOSYSTEM MODEL; BARENTS SEA; THICKNESS; CARBON; VARIABILITY; CLIMATE; FLUX AB As a part of Arctic Ocean Intercomparison Project, results from five coupled physical and biological ocean models were compared for the Arctic domain, defined here as north of 66.6 degrees N. The global and regional (Arctic Ocean (AO)-only) models included in the intercomparison show similar features in terms of the distribution of present-day water column-integrated primary production and are broadly in agreement with in situ and satellite-derived data. However, the physical factors controlling this distribution differ between the models. The intercomparison between models finds substantial variation in the depth of winter mixing, one of the main mechanisms supplying inorganic nutrients over the majority of the AO. Although all models manifest similar level of light limitation owing to general agreement on the ice distribution, the amount of nutrients available for plankton utilization is different between models. Thus the participating models disagree on a fundamental question: which factor, light or nutrients, controls present-day Arctic productivity. These differences between models may not be detrimental in determining present-day AO primary production since both light and nutrient limitation are tightly coupled to the presence of sea ice. Essentially, as long as at least one of the two limiting factors is reproduced correctly, simulated total primary production will be close to that observed. However, if the retreat of Arctic sea ice continues into the future as expected, a decoupling between sea ice and nutrient limitation will occur, and the predictive capabilities of the models may potentially diminish unless more effort is spent on verifying the mechanisms of nutrient supply. Our study once again emphasizes the importance of a realistic representation of ocean physics, in particular vertical mixing, as a necessary foundation for ecosystem modeling and predictions. C1 [Popova, Ekaterina E.; Yool, Andrew; Coward, Andrew C.] Univ Southampton, Natl Oceanog Ctr, Southampton SO14 3ZH, Hants, England. [Dupont, Frederic] Environm Canada, RPN MRD, Dorval, PQ H9P 1J3, Canada. [Deal, Clara; Jin, Meibing] Univ Alaska Fairbanks, Int Arctic Res Ctr, Fairbanks, AK 99775 USA. [Elliott, Scott; Hunke, Elizabeth] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Steele, Mike; Zhang, Jinlun] Univ Washington, Polar Sci Ctr, Seattle, WA 98105 USA. RP Popova, EE (reprint author), Univ Southampton, Natl Oceanog Ctr, Waterfront Campus,European Way, Southampton SO14 3ZH, Hants, England. EM ekp@noc.soton.ac.uk RI Yool, Andrew/B-4799-2012; Jin, Meibing/F-7666-2010; Lujan Center, LANL/G-4896-2012; Popova, Ekaterina/B-4520-2012 OI Yool, Andrew/0000-0002-9879-2776; FU NSF's Office of Polar Programs; Natural Environment Research Council; DOE EPSCoR [DE-FG02-08ER46502] FX We acknowledge the great role of the AOMIP program in providing a stimulating forum and logistical support for this study. The contribution of the Polar Science Center, University of Washington, was supported by the NSF's Office of Polar Programs. The contribution of the National Oceanography Centre was supported by Natural Environment Research Council. The contribution of the International Arctic Research Center, University of Alaska, was supported by the DOE EPSCoR Program, grant DE-FG02-08ER46502. NR 92 TC 52 Z9 55 U1 1 U2 52 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9275 EI 2169-9291 J9 J GEOPHYS RES-OCEANS JI J. Geophys. Res.-Oceans PD JAN 31 PY 2012 VL 117 AR C00D12 DI 10.1029/2011JC007112 PG 16 WC Oceanography SC Oceanography GA 887TT UT WOS:000299954000001 ER PT J AU Sauvaud, JA Jacquey, C Oka, M Palin, L Fruit, G Kistler, LM Balogh, A Cao, JB Reeves, G Mukai, T Shinohara, I Grigorenko, E AF Sauvaud, J. -A. Jacquey, C. Oka, M. Palin, L. Fruit, G. Kistler, L. M. Balogh, A. Cao, J. B. Reeves, G. Mukai, T. Shinohara, I. Grigorenko, E. TI A study of the changes of the near-Earth plasma sheet and lobe driven by multiple substorms: Comparison with a full particle simulation of reconnection SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID SPECTROMETRY CIS EXPERIMENT; TAIL CURRENT DISRUPTION; MAGNETOSPHERIC SUBSTORMS; CURRENT WEDGE; SOLAR-WIND; ONSET; MAGNETOTAIL; DYNAMICS; EXPANSION; MULTISATELLITE AB Comparisons of multispacecraft observations and full-particle simulations are used to understand magnetotail changes during substorms and the related cross-tail current disruptions/reductions. We first show that the electric field accompanying current disruptions can be measured in the tail lobe from the drift velocity of oxygen beams. A stormy period is studied here with a fleet of spacecraft including the four Cluster spacecraft and the Double Star spacecraft TC-1 in the tail, ACE and Geotail respectively in the solar wind and magnetosheath, and five LANL geostationary satellites, thus allowing the determination of the direction of propagation of the substorm disturbances. Each substorm here corresponds to an energy-loading period followed by a dipolarization of the magnetic field seen from 11 to 18 R-E. Plasma sheet thinning inside 12 R-E occurs during energy loading and is enhanced at the onset of strong dissipations of magnetic energy, which precede by several minutes particle injections at 6.6 R-E. Dipolarizations coincide with an increase of the lobe electric field, up to several mV/m. This study shows that the onset of the magnetic energy conversion occurs at about similar to 10-11 R-E and that once initiated, the perturbation propagates both toward the Earth and toward the distant tail. Comparisons of the measurements with recently published 2D full particle simulations of the reconnection process by Oka et al. (2008) indicate a good agreement between data and simulated magnetic lobe signatures. This suggests that the lobe magnetic changes are the signature of a tailward retreating neutral line, with its associated current disruption/reduction. C1 [Sauvaud, J. -A.; Jacquey, C.; Palin, L.; Fruit, G.] Univ Toulouse, CNRS, IRAP, F-31028 Toulouse, France. [Oka, M.] Univ Calif Berkeley, SSL, Berkeley, CA 94720 USA. [Kistler, L. M.] Univ New Hampshire, EOS, Durham, NH 03824 USA. [Balogh, A.] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2BZ, England. [Cao, J. B.] Ctr Space Sci & Appl Res, Beijing 100190, Peoples R China. [Reeves, G.] LANL, Los Alamos, NM 87545 USA. [Mukai, T.; Shinohara, I.] JAXA, Sagamihara, Kanagawa 2298510, Japan. [Grigorenko, E.] IKI, Moscow 117997, Russia. RP Sauvaud, JA (reprint author), Univ Toulouse, CNRS, IRAP, F-31028 Toulouse, France. EM jsauvaud@irap.omp.eu RI Reeves, Geoffrey/E-8101-2011 OI Reeves, Geoffrey/0000-0002-7985-8098 FU ESA; French CNES; CNRS; NASA at UC Berkeley [NNX08AO83G] FX Data used in this paper were acquired by satellites operated by ESA, CNSA and NASA. The Cluster CIS instruments on the four CLUSTER spacecraft and on Double Star were funded by ESA and by the French CNES and CNRS. Cluster and Double Star magnetic field data have been provided by Imperial College London (E. Lucek and C. Carr, PIs). Solar wind data at 1 AU have been obtained from CDAWEB and AE data from WDC-2. Moshiri magnetometer data have been obtained from STELab, Nagoya University. We thank the institutes who maintain the IMAGE Magnetometer Array and E. Penou (CNRS) for providing the software for satellite data displays. Simulations are performed on the SX-9 computer of ISAS, JAXA, Japan. MO was funded by NASA grant NNX08AO83G at UC Berkeley. NR 46 TC 5 Z9 5 U1 0 U2 10 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 JAN 31 PY 2012 VL 117 AR A01221 DI 10.1029/2011JA017033 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 888FQ UT WOS:000299989600004 ER PT J AU Colgan, J Pindzola, MS AF Colgan, J. Pindzola, M. S. TI Angular Distributions for the Complete Photofragmentation of the Li Atom SO PHYSICAL REVIEW LETTERS LA English DT Article ID DIFFERENTIAL CROSS-SECTIONS; TRIPLE PHOTOIONIZATION; LITHIUM; HELIUM; IONIZATION; CONTINUUM; MOLECULE; BREAKUP AB We explore the complete breakup of the Li atom after absorption of a single photon, the purest example of the so-called four-body Coulomb problem. The resulting strongly correlated three-electron continuum is investigated by calculating the angular distributions of the ionized electrons using advanced close-coupling techniques. We find that the distributions are dominated by the Coulomb interactions between the electrons, that multiple break-up processes can be identified, and that the complex dynamics of the fragmentation process are evident for most scattering geometries. C1 [Colgan, J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Pindzola, M. S.] Auburn Univ, Dept Phys, Auburn, AL 36832 USA. RP Colgan, J (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Colgan, James/0000-0003-1045-3858 FU U.S. DOE [DE-AC5206NA25396]; U.S. NSF FX We thank Dr. A. Emmanouilidou for many useful and stimulating discussions. The Los Alamos National Laboratory is operated by Los Alamos National Security, LLC for the NNSA of the U.S. DOE under Contract No. DE-AC5206NA25396. This work was supported in part by grants from the U.S. DOE and the U.S. NSF. Computational work was carried out at the NERSC in Oakland, California, the NICS in Knoxville, Tennessee, and at Los Alamos National Laboratory. NR 27 TC 14 Z9 14 U1 1 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 JAN 31 PY 2012 VL 108 IS 5 AR 053001 DI 10.1103/PhysRevLett.108.053001 PG 5 WC Physics, Multidisciplinary SC Physics GA 886DU UT WOS:000299832900009 PM 22400932 ER PT J AU Marcucci, LE Kievsky, A Rosati, S Schiavilla, R Viviani, M AF Marcucci, L. E. Kievsky, A. Rosati, S. Schiavilla, R. Viviani, M. TI Chiral Effective Field Theory Predictions for Muon Capture on Deuteron and He-3 SO PHYSICAL REVIEW LETTERS LA English DT Article ID SCATTERING; NUCLEON; PHYSICS AB The muon-capture reactions H-2(mu(-), nu(mu))nn and He-3(mu(-), nu(mu))H-3 are studied with nuclear potentials and charge-changing weak currents, derived in chiral effective field theory. The low-energy constants (LECs) c(D) and c(E), present in the three-nucleon potential and (c(D)) axial-vector current, are constrained to reproduce the A = 3 binding energies and the triton Gamow-Teller matrix element. The muon-capture rates on deuteron and He-3 are predicted to be 399 +/- 3 sec(-1) and 1494 +/- 21 sec(-1), respectively. The spread accounts for the cutoff sensitivity, as well as uncertainties in the LECs and electroweak radiative corrections. By comparing the calculated and precisely measured rates on He-3, a value for the induced pseudoscalar form factor is obtained in good agreement with the chiral perturbation theory prediction. C1 [Marcucci, L. E.; Rosati, S.] Univ Pisa, Dept Phys, I-56127 Pisa, Italy. [Marcucci, L. E.; Kievsky, A.; Viviani, M.] INFN Pisa, I-56127 Pisa, Italy. [Schiavilla, R.] Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. [Schiavilla, R.] Jefferson Lab, Newport News, VA 23606 USA. RP Marcucci, LE (reprint author), Univ Pisa, Dept Phys, I-56127 Pisa, Italy. FU U.S. Department of Energy, Office of Nuclear Physics [DE-AC05-06OR23177] FX The authors would like to thank P. Kammel for encouraging us to carry out this study and D. Gazit, P. Navratil, and S. Quaglioni for useful discussions. The work of R. S. is supported by the U.S. Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC05-06OR23177. NR 36 TC 46 Z9 46 U1 0 U2 1 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 JAN 31 PY 2012 VL 108 IS 5 AR 052502 DI 10.1103/PhysRevLett.108.052502 PG 4 WC Physics, Multidisciplinary SC Physics GA 886DU UT WOS:000299832900006 PM 22400928 ER PT J AU Moller, P Myers, WD Sagawa, H Yoshida, S AF Moeller, Peter Myers, William D. Sagawa, Hiroyuki Yoshida, Satoshi TI New Finite-Range Droplet Mass Model and Equation-of-State Parameters SO PHYSICAL REVIEW LETTERS LA English DT Article ID NUCLEAR GROUND-STATE; FISSION-BARRIERS; MATTER AB The parameters in the macroscopic droplet part of the finite-range droplet model (FRDM) are related to the properties of the equation of state. In the FRDM (1992) version, the optimization of the model parameters was not sufficiently sensitive to variations of the compressibility constant K and the density-symmetry constant L to allow their determination. In the new, more accurate FRDM-2011a adjustment of the model constants to new and more accurate experimental masses allows the determination of L together with the symmetry-energy constant J. The optimization is still not sensitive to K which is therefore fixed at K = 240 MeV. Our results are J = 32.5 +/- 0.5 MeV and L = 70 +/- 15 MeV and a considerably improved mass-model accuracy sigma = 0.5700 MeV, with respect to the 2003 Atomic Mass Evaluation (AME2003) for FRDM-2011a, compared to sigma = 0.669 MeV for FRDM (1992). C1 [Moeller, Peter; Myers, William D.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Sagawa, Hiroyuki] Univ Aizu, Ctr Math Sci, Aizu Wakamatsu, Fukushima 9658580, Japan. [Yoshida, Satoshi] Hosei Univ, Ctr Sci Res, Tokyo 1028160, Japan. RP Moller, P (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM moller@lanl.gov OI Moller, Peter/0000-0002-5848-3565 FU Japan MEXT [20540277]; NNSA of the U. S. DOE at Los Alamos National Laboratory [DE-AC52-06NA25396]; [DE-FG02-06ER41407] FX Discussions with A. J. Sierk, J. Stone, S. Reddy, G. Carlsson, A. W. Steiner, and B. A. Brown are appreciated. We thank the authors of Ref. [27] (M. Dutra, O. Lourenco, J. S. Sa Martins, A. Delfino, J. R. Stone, and P. D. Stevenson) for sharing their results with us prior to publication. This work was supported by travel grants for P. M. to JUSTIPEN under Grant No. DE-FG02-06ER41407 (U. Tennessee) and also partially supported by the Japan MEXT by Grant-in-Aid for Scientific Research under the program number (C2) 20540277. This work was carried out under the auspices of the NNSA of the U. S. DOE at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. NR 28 TC 122 Z9 127 U1 3 U2 20 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 JAN 31 PY 2012 VL 108 IS 5 AR 052501 DI 10.1103/PhysRevLett.108.052501 PG 4 WC Physics, Multidisciplinary SC Physics GA 886DU UT WOS:000299832900005 PM 22400927 ER PT J AU Rupp, M Tkatchenko, A Muller, KR von Lilienfeld, OA AF Rupp, Matthias Tkatchenko, Alexandre Mueller, Klaus-Robert von Lilienfeld, O. Anatole TI Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning SO PHYSICAL REVIEW LETTERS LA English DT Article ID CHEMICAL UNIVERSE; VIRTUAL EXPLORATION; EXACT EXCHANGE; THERMOCHEMISTRY; APPROXIMATIONS; NETWORKS; SYSTEMS AB We introduce a machine learning model to predict atomization energies of a diverse set of organic molecules, based on nuclear charges and atomic positions only. The problem of solving the molecular Schrodinger equation is mapped onto a nonlinear statistical regression problem of reduced complexity. Regression models are trained on and compared to atomization energies computed with hybrid density-functional theory. Cross validation over more than seven thousand organic molecules yields a mean absolute error of similar to 10 kcal/mol. Applicability is demonstrated for the prediction of molecular atomization potential energy curves. C1 [Rupp, Matthias; Mueller, Klaus-Robert] Tech Univ Berlin, Machine Learning Grp, D-10587 Berlin, Germany. [Rupp, Matthias; Tkatchenko, Alexandre; Mueller, Klaus-Robert; von Lilienfeld, O. Anatole] Univ Calif Los Angeles, Inst Pure & Appl Math, Los Angeles, CA 90095 USA. [Tkatchenko, Alexandre] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany. [von Lilienfeld, O. Anatole] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA. RP Rupp, M (reprint author), Tech Univ Berlin, Machine Learning Grp, Franklinstr 28-29, D-10587 Berlin, Germany. EM anatole@alcf.anl.gov RI von Lilienfeld, O. Anatole/D-8529-2011; Tkatchenko, Alexandre/E-7148-2011; Muller, Klaus/C-3196-2013; Rupp, Matthias/P-8680-2016 OI Tkatchenko, Alexandre/0000-0002-1012-4854; Rupp, Matthias/0000-0002-2934-2958 FU IPAM, UCLA; Office of Science of the U.S. DOE [DE-AC02-06CH11357]; DFG [MU 987/4-2]; EU [PASCAL2] FX We are thankful for helpful discussions with K. Burke, M. Cuendet, K. Hansen, J. E. Moussa, J.-L. Reymond, B. C. Rinderspacher, M. Rozgic, M. Scheffler, A. P. Thompson, M. E. Tuckerman, and S. Varma. All authors acknowledge support from the long program "Navigating Chemical Compound Space for Materials and Bio Design," IPAM, UCLA. 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. DOE under Contract No. DE-AC02-06CH11357. M. R. and K.-R. M. acknowledge partial support by DFG (MU 987/4-2) and the EU (PASCAL2). NR 38 TC 114 Z9 114 U1 22 U2 74 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 JAN 31 PY 2012 VL 108 IS 5 AR 058301 DI 10.1103/PhysRevLett.108.058301 PG 5 WC Physics, Multidisciplinary SC Physics GA 886DU UT WOS:000299832900024 PM 22400967 ER PT J AU Maksymovych, P Huijben, M Pan, MH Jesse, S Balke, N Chu, YH Chang, HJ Borisevich, AY Baddorf, AP Rijnders, G Blank, DHA Ramesh, R Kalinin, SV AF Maksymovych, Peter Huijben, Mark Pan, Minghu Jesse, Stephen Balke, Nina Chu, Ying-Hao Chang, Hye Jung Borisevich, Albina Y. Baddorf, Arthur P. Rijnders, Guus Blank, Dave H. A. Ramesh, Ramamoorthy Kalinin, Sergei V. TI Ultrathin limit and dead-layer effects in local polarization switching of BiFeO3 SO PHYSICAL REVIEW B LA English DT Article ID PHASE-TRANSITIONS; TUNNEL-JUNCTIONS; PEROVSKITE FILMS; COERCIVE FIELD; FERROELECTRICITY; PHYSICS; THICKNESS; BARRIERS; SURFACE; STATES AB Using piezoresponse force microscopy in an ultrahigh vacuum, polarization switching has been detected and quantified in epitaxial BiFeO3 films from 200 to about 4 unit cells thick. Local remnant piezoresponse was utilized to probe both ferroelectric properties and effects of imperfect electrical contacts. It was found that the shape of electromechanical hysteresis loops is strongly influenced by an extrinsic dielectric gap, primarily through the suppressing effect of the depolarizing field on the spontaneous polarization in the ultrathin films. Furthermore, statistical analysis of the hysteresis loops has revealed lateral variation of the extrinsic dielectric gap with sub-10-nm resolution. Robust and reproducible ferroelectric properties of nanoscale BiFeO3 indicate its potential for nanoscale applications in information storage and spintronics. C1 [Maksymovych, Peter; Pan, Minghu; Jesse, Stephen; Balke, Nina; Baddorf, Arthur P.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Huijben, Mark; Rijnders, Guus; Blank, Dave H. A.] Univ Twente, Fac Sci & Technol, MESA Inst Nanotechnol, NL-7500 AE Enschede, Netherlands. [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. [Chu, Ying-Hao] Natl Chiao Tung Univ, Dept Mat Sci & Engn, Hsinchu 30010, Taiwan. [Chang, Hye Jung; Borisevich, Albina Y.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Maksymovych, P (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM 5nm@ornl.gov RI Kalinin, Sergei/I-9096-2012; Ying-Hao, Chu/A-4204-2008; Borisevich, Albina/B-1624-2009; 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; Ying-Hao, Chu/0000-0002-3435-9084; Borisevich, Albina/0000-0002-3953-8460; Balke, Nina/0000-0001-5865-5892; Maksymovych, Petro/0000-0003-0822-8459; Jesse, Stephen/0000-0002-1168-8483; Baddorf, Arthur/0000-0001-7023-2382 FU Materials Sciences and Engineering Division, Basic Energy Sciences, US Department of Energy; Office of Science, Office of Basic Energy Sciences, Materials Sciences Division of the US Department of Energy [DE-AC02-05CH1123] FX PFM experiments were carried out at the Center for Nanophase Materials Sciences, Division of User Facilities, US Department of Energy. The work was supported in part (S. V. K., H.J.C., A.Y.B.) by the Materials Sciences and Engineering Division, Basic Energy Sciences, US Department of Energy. The work at Berkeley is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division of the US Department of Energy under Contract No. DE-AC02-05CH1123. NR 34 TC 16 Z9 17 U1 5 U2 81 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JAN 31 PY 2012 VL 85 IS 1 AR 014119 DI 10.1103/PhysRevB.85.014119 PG 8 WC Physics, Condensed Matter SC Physics GA 886QH UT WOS:000299868400001 ER PT J AU Mun, E Ko, H Miller, GJ Samolyuk, GD Bud'ko, SL Canfield, PC AF Mun, Eundeok Ko, Hyunjin Miller, Gordon J. Samolyuk, German D. Bud'ko, Sergey L. Canfield, Paul. C. TI Magnetic field effects on transport properties of PtSn4 SO PHYSICAL REVIEW B LA English DT Article ID GIANT MAGNETORESISTANCE; FILMS; MAGNETOTHERMOPOWER; ALLOYS; SYSTEMS AB The anisotropic physical properties of single crystals of orthorhombic PtSn4 are reported for magnetic fields up to 140 kOe, applied parallel and perpendicular to the crystallographic b axis. The magnetic susceptibility has an approximately temperature-independent behavior and reveals an anisotropy between the ac plane and b axis. Clear de Haas-van Alphen oscillations in fields as low as 5 kOe and at temperatures as high as 30 K were detected in magnetization isotherms. The thermoelectric power and resistivity of PtSn4 show the strong temperature and magnetic field dependencies. A change of the thermoelectric power at H = 140 kOe is observed as high as similar or equal to 50 mu V/K. Single crystals of PtSn4 exhibit very large transverse magnetoresistance of similar or equal to 5 x 10(5)% for the ac plane and of similar or equal to 1.4 x 10(5)% for the b axis resistivity at 1.8 K and 140 kOe, as well as pronounced Shubnikov de Haas oscillations. The magnetoresistance of PtSn4 appears to obey Kohler's rule in the temperature and field range measured. The Hall resistivity shows a linear temperature dependence at high temperatures followed by a sign reversal around 25 K which is consistent with thermoelectric power measurements. The observed quantum oscillations and band structure calculations indicate that PtSn4 has three-dimensional Fermi surfaces. C1 [Mun, Eundeok; Ko, Hyunjin; Miller, Gordon J.; Samolyuk, German D.; Bud'ko, Sergey L.; Canfield, Paul. C.] US DOE, Ames Lab, Ames, IA 50011 USA. [Mun, Eundeok; Samolyuk, German D.; Bud'ko, Sergey L.; Canfield, Paul. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Ko, Hyunjin; Miller, Gordon J.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Mun, E (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. RI Canfield, Paul/H-2698-2014 FU US Department of Energy Basic Energy Sciences [DE-AC02-07CH11358] FX Work at the Ames Laboratory was supported by the US Department of Energy Basic Energy Sciences under Contract No. DE-AC02-07CH11358. NR 38 TC 34 Z9 34 U1 10 U2 50 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JAN 31 PY 2012 VL 85 IS 3 AR 035135 DI 10.1103/PhysRevB.85.035135 PG 12 WC Physics, Condensed Matter SC Physics GA 886SL UT WOS:000299874100007 ER PT J AU van Wezel, J AF van Wezel, Jasper TI Polar charge and orbital order in 2H-TaS2 SO PHYSICAL REVIEW B LA English DT Article ID TRANSITION-METAL DICHALCOGENIDES; DENSITY WAVES; STATE AB It was recently discovered that in spite of the scalar nature of its order parameter, the charge order in 1T-TiSe2 can be chiral. This is made possible by the emergence of orbital order in conjunction with the charge-density modulations. Here we show that a closely related charge and orbital ordered state arises in 2H-TaS2. In both materials, the microscopic mechanism driving the transition is based on the interaction between three differently polarized displacement waves. The relative phase shifts between these waves lead both to the formation of orbital order and to the breakdown of inversion symmetry. In contrast to 1T-TiSe2, however, the presence of a mirror plane in the lattice of 2H-TaS2 prevents the distorted structure in this material from being chiral, and a polar charge and orbital ordered state arises instead. It is stressed that bulk experiments are indispensable in differentiating between the chiral and polar phases. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP van Wezel, J (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI van Wezel, Jasper/B-6779-2008 OI van Wezel, Jasper/0000-0002-9378-008X FU US DOE, Office of Science [DE-AC02-06CH11357] FX This research was supported by the US DOE, Office of Science, under Contract No. DE-AC02-06CH11357. NR 19 TC 9 Z9 9 U1 1 U2 34 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JAN 31 PY 2012 VL 85 IS 3 AR 035131 DI 10.1103/PhysRevB.85.035131 PG 5 WC Physics, Condensed Matter SC Physics GA 886SL UT WOS:000299874100003 ER PT J AU Carlson, HK Iavarone, AT Gorur, A Yeo, BS Tran, R Melnyk, RA Mathies, RA Auer, M Coates, JD AF Carlson, Hans K. Iavarone, Anthony T. Gorur, Amita Yeo, Boon Siang Tran, Rosalie Melnyk, Ryan A. Mathies, Richard A. Auer, Manfred Coates, John D. TI Surface multiheme c-type cytochromes from Thermincola potens and implications for respiratory metal reduction by Gram- positive bacteria SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE electricigen; Fe(III) reduction ID ENHANCED RAMAN-SCATTERING; DISSIMILATORY FE(III) REDUCTION; EXTRACELLULAR ELECTRON-TRANSFER; SHEWANELLA-ONEIDENSIS MR-1; CELL-WALL; BACILLUS-SUBTILIS; GEOBACTER-SULFURREDUCENS; STAPHYLOCOCCUS-AUREUS; MICROBIAL REDUCTION; PERIPLASMIC SPACE AB Almost nothing is known about the mechanisms of dissimilatory metal reduction byGram-positive bacteria, although theymay be the dominant species in some environments. Thermincola potens strain JR was isolated from the anode of a microbial fuel cell inoculated with anaerobic digester sludge and operated at 55 degrees C. Preliminary characterization revealed that T. potens coupled acetate oxidation to the reduction of hydrous ferric oxides (HFO) or anthraquinone-2,6disulfonate (AQDS), an analog of the redox active components of humic substances. The genome of T. potens was recently sequenced, and the abundance of multiheme c-type cytochromes (MHCs) is unusual for a Gram-positive bacterium. We present evidence from trypsin-shaving LC-MS/MS experiments and surface-enhanced Raman spectroscopy (SERS) that indicates the expression of a number of MHCs during T. potens growth on either HFO or AQDS, and that several MHCs are localized to the cell wall or cell surface. Furthermore, one of the MHCs can be extracted from cells with low pH or denaturants, suggesting a loose association with the cell wall or cell surface. Electron microscopy does not reveal an S-layer, and the precipitation of silver metal on the cell surface is inhibited by cyanide, supporting the involvement of surface-localized redox-active heme proteins in dissimilatory metal reduction. These results provide unique direct evidence for cell wall-associated cytochromes and support MHC involvement in conducting electrons across the cell envelope of a Gram-positive bacterium. C1 [Carlson, Hans K.; Melnyk, Ryan A.; Coates, John D.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Carlson, Hans K.; Auer, Manfred; Coates, John D.] Univ Calif Berkeley, Energy Biosci Inst, Berkeley, CA 94720 USA. [Iavarone, Anthony T.] Univ Calif Berkeley, Chem Mass Spectrometry Facil QB3, Berkeley, CA 94720 USA. [Tran, Rosalie; Mathies, Richard A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Gorur, Amita; Auer, Manfred] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Yeo, Boon Siang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Tran, Rosalie; Mathies, Richard A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Coates, John D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Coates, JD (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. EM jdcoates@berkeley.edu RI Yeo, Boon Siang/C-6487-2014 OI Yeo, Boon Siang/0000-0003-1609-0867 FU Energy Biosciences Institute; Ecosystems and Networks Integrated with Genes and Molecular Assemblies; Office of Science, Office of Biological and Environmental Research of the US Department of Energy [DE-AC02-05CH11231]; National Institutes of Health [1S10RR022393-01] FX We thank members of the R.A. Mathies, M.A., and J.D.C. laboratories for advice and comments on experimental procedures and the manuscript. This work was funded by independent grants from the Energy Biosciences Institute (to J.D.C. and M.A.); and Ecosystems and Networks Integrated with Genes and Molecular Assemblies, supported by the Office of Science, Office of Biological and Environmental Research of the US Department of Energy under Contract DE-AC02-05CH11231 (to M.A and A.G.). LC-MS instrumentation was acquired with National Institutes of Health Grant 1S10RR022393-01. NR 47 TC 42 Z9 44 U1 5 U2 64 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 JAN 31 PY 2012 VL 109 IS 5 BP 1702 EP 1707 DI 10.1073/pnas.1112905109 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 884TJ UT WOS:000299731400071 PM 22307634 ER PT J AU Chen, F Tobimatsu, Y Havkin-Frenkel, D Dixon, RA Ralph, J AF Chen, Fang Tobimatsu, Yuki Havkin-Frenkel, Daphna Dixon, Richard A. Ralph, John TI A polymer of caffeyl alcohol in plant seeds SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE cell wall polymer; lignin polymerization; lignin structure; whole cell wall NMR ID MOLECULAR-WEIGHT DISTRIBUTIONS; MONOLIGNOL-BETA-GLYCOSIDES; A O-METHYLTRANSFERASE; MILLED WOOD LIGNINS; SOLUTION-STATE NMR; DOWN-REGULATION; BIOFUEL PRODUCTION; DEHYDROGENATIVE-POLYMERIZATIONS; 5-HYDROXYCONIFERYL ALCOHOL; GENETIC MANIPULATION AB Lignins are complex phenylpropanoid polymers mostly associated with plant secondary cell walls. Lignins arise primarily via oxidative polymerization of the three monolignols, p-coumaryl, coniferyl, and sinapyl alcohols. Of the two hydroxycinnamyl alcohols that represent incompletely methylated biosynthetic products (and are not usually considered to be monolignols), 5-hydroxyconiferyl alcohol is now well established as incorporating into angiosperm lignins, but incorporation of caffeyl alcohol has not been shown. We report here the presence of a homopolymer of caffeyl alcohol in the seed coats of both monocot and dicot plants. This polymer (C-lignin) is deposited to high concentrations in the seed coat during the early stages of seed development in the vanilla orchid (Vanilla planifolia), and in several members of the Cactaceae. The lignin in other parts of the Vanilla plant is conventionally biosynthesized from coniferyl and sinapyl alcohols. Some species of cacti contain only C-lignin in their seeds, whereas others contain only classical guaiacyl/syringyl lignin (derived from coniferyl and sinapyl alcohols). NMR spectroscopic analysis revealed that the Vanilla seed-coat polymer was massively comprised of benzodioxane units and was structurally similar to the polymer synthesized in vitro by peroxidase-catalyzed polymerization of caffeyl alcohol. CD spectroscopy did not detect any optical activity in the seed polymer. These data support the contention that the C-lignin polymer is produced in vivo via combinatorial oxidative radical coupling that is under simple chemical control, a mechanism analogous to that theorized for classical lignin biosynthesis. C1 [Chen, Fang; Dixon, Richard A.] Samuel Roberts Noble Fdn Inc, Plant Biol Div, Ardmore, OK 73401 USA. [Chen, Fang; Dixon, Richard A.] Oak Ridge Natl Lab, BESC, Dept Energy, Oak Ridge, TN 37831 USA. [Tobimatsu, Yuki; Ralph, John] Univ Wisconsin, Enzyme Inst, Dept Biochem, Madison, WI 53726 USA. [Havkin-Frenkel, Daphna] Rutgers State Univ, Dept Plant Biol & Pathol, New Brunswick, NJ 08901 USA. [Ralph, John] Great Lakes Bioenergy Res Ctr, Dept Energy, Madison, WI 53706 USA. [Ralph, John] Wisconsin Bioenergy Initiat, Madison, WI 53706 USA. RP Dixon, RA (reprint author), Samuel Roberts Noble Fdn Inc, Plant Biol Div, Ardmore, OK 73401 USA. EM radixon@noble.org; jralph@wisc.edu FU US Department of Energy's Bioenergy Sciences and Great Lakes Bioenergy Centers; Office of Biological and Environmental Research in the Department of Energy Office of Science [BER DE-AC05-00OR22725, DE-FC02-07ER64494]; Japan Society for the Promotion of Science FX We thank Cliff Foster for carbohydrate analysis; Heike Hofstetter for elemental analysis; Darrel McCaslin for assistance with CD spectrometry; Li Shuai, and Sasikumar Elumalai for assistance with Klason lignin analysis; Lisa Jackson for assistance with thioacidolysis analysis; and Hoon Kim for helpful suggestions and assistance with NMR spectroscopy. This work was supported in part by the US Department of Energy's Bioenergy Sciences and Great Lakes Bioenergy Centers, supported by the Office of Biological and Environmental Research in the Department of Energy Office of Science (BER DE-AC05-00OR22725 and DE-FC02-07ER64494, respectively); and by a postdoctoral fellowship from the Japan Society for the Promotion of Science (to Y.T.). NR 52 TC 50 Z9 51 U1 4 U2 58 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 JAN 31 PY 2012 VL 109 IS 5 BP 1772 EP 1777 DI 10.1073/pnas.1120992109 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 884TJ UT WOS:000299731400083 PM 22307645 ER PT J AU Brady, JJ Judge, EJ Levis, RJ AF Brady, John J. Judge, Elizabeth J. Levis, Robert J. TI Reply to Breuker et al.: How laser electrospray mass spectrometry (LEMS) measures condensed phase protein structure, not vacuum structure SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Letter C1 [Brady, John J.; Levis, Robert J.] Temple Univ, Dept Chem, Philadelphia, PA 19122 USA. [Brady, John J.; Levis, Robert J.] Temple Univ, Adv Photon Res Ctr, Philadelphia, PA 19122 USA. [Judge, Elizabeth J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Levis, RJ (reprint author), Temple Univ, Dept Chem, Philadelphia, PA 19122 USA. EM rjlevis@temple.edu OI Judge, Elizabeth/0000-0002-2747-1326 NR 3 TC 3 Z9 3 U1 2 U2 18 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 JAN 31 PY 2012 VL 109 IS 5 BP E207 EP E207 DI 10.1073/pnas.1116021109 PG 1 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 884TJ UT WOS:000299731400002 ER PT J AU Rexach, M Colvin, M Gopinathan, A Krishnan, K Lau, E Newsam, S Phillips, J Uversky, V Yamada, J AF Rexach, Michael Colvin, Michael Gopinathan, Ajay Krishnan, Krish Lau, Ed Newsam, Sean Phillips, Joshua Uversky, Vladimir Yamada, Justin TI Sorting with Disorder at Nuclear Pores SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Rexach, Michael; Yamada, Justin] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. [Colvin, Michael; Gopinathan, Ajay; Newsam, Sean; Phillips, Joshua] Univ Calif, Merced, CA USA. [Krishnan, Krish] Univ Calif Davis, Davis, CA 95616 USA. [Lau, Ed] Lawrence Livermore Natl Lab, Livermore, CA USA. [Uversky, Vladimir] Indiana Univ Sch Med, Indianapolis, IN 46202 USA. RI Uversky, Vladimir/F-4515-2011 OI Uversky, Vladimir/0000-0002-4037-5857 NR 0 TC 0 Z9 0 U1 0 U2 0 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 2A EP 2A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200010 ER PT J AU Fromme, P Hunter, M Kupitz, C Kirian, R Fromme, R Barty, A Grotjohann, I Simpson, G Frank, M Dorner, K White, T Aquilla, A Ilme, S Chapman, H Spence, JHC AF Fromme, Petra Hunter, Mark Kupitz, Christopher Kirian, Richard Fromme, Raimund Barty, Anton Grotjohann, Ingo Simpson, Garth Frank, Mathias Dorner, Katherina White, Thomas Aquilla, Andrew Ilme, Schlichting Chapman, Henry Spence, John H. C. TI New Avenues for Structure Determination of Membrane Proteins SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Fromme, Petra] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ USA. [Hunter, Mark; Kupitz, Christopher; Kirian, Richard; Fromme, Raimund; Grotjohann, Ingo; Dorner, Katherina; Spence, John H. C.] Arizona State Univ, Tempe, AZ USA. [Barty, Anton; White, Thomas; Aquilla, Andrew; Chapman, Henry] DESY, Ctr Free Elect Laser Sci, Hamburg, Germany. [Simpson, Garth] Purdue Univ, W Lafayette, IN 47907 USA. [Frank, Mathias] Lawrence Livermore Natl Lab, Livermore, CA USA. [Ilme, Schlichting] Max Planck Inst Med Res, D-69120 Heidelberg 1, Germany. RI Kirian, Richard/M-3750-2013; Barty, Anton/K-5137-2014; Frank, Matthias/O-9055-2014 OI Barty, Anton/0000-0003-4751-2727; NR 1 TC 0 Z9 0 U1 0 U2 7 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 3A EP 3A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200014 ER PT J AU Ramanathan, A Burger, VM Savol, AJ Stanley, CB Agarwal, PK Chennubhotla, CS AF Ramanathan, Arvind Burger, Virginia M. Savol, Andrej J. Stanley, Christopher B. Agarwal, Pratul K. Chennubhotla, Chakra S. TI Integrating Theory, Simulations and Experiments to Reveal the Recognition-Specific Pathways in the Nuclear Co-Activator Binding Domain Ensemble SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Ramanathan, Arvind; Stanley, Christopher B.; Agarwal, Pratul K.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Burger, Virginia M.; Savol, Andrej J.; Chennubhotla, Chakra S.] Univ Pittsburgh, Pittsburgh, PA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 10A EP 11A PG 2 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200054 ER PT J AU Rakshit, S Zhang, YX Manibog, K Shafraz, OLM Sivasankar, S AF Rakshit, Sabyasachi Zhang, Yunxiang Manibog, Kristine Shafraz, Omer L. M. Sivasankar, Sanjeevi TI Single Molecule Measurements of Catch Bond Formation in Cadherin Cell-Adhesion Proteins SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Rakshit, Sabyasachi; Manibog, Kristine; Shafraz, Omer L. M.; Sivasankar, Sanjeevi] Iowa State Univ, Ames Lab, Dept Phys & Astron, Ames, IA USA. [Zhang, Yunxiang] Univ Calif Berkeley, Inst QB3, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 12A EP 12A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200062 ER PT J AU Kent, MS Akgun, B Nanda, H Curtis, JE Satija, S Shi, XM Engen, JR AF Kent, Michael S. Akgun, Bulent Nanda, Hirsh Curtis, Joseph E. Satija, Sushil Shi, Xiaomeng Engen, John R. TI Conformational Change of HIV Nef upon Insertion into Lipid Membranes Resolved by Neutron Reflectivity SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Kent, Michael S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Akgun, Bulent; Nanda, Hirsh; Curtis, Joseph E.; Satija, Sushil] NIST, Gaithersburg, MD 20899 USA. [Shi, Xiaomeng; Engen, John R.] Northeastern Univ, Boston, MA 02115 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 26A EP 26A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200130 ER PT J AU Kraft, ML Frisz, JF Lou, KY Klitzing, HA Hanafin, WP Weber, PK Zimmerberg, J AF Kraft, Mary L. Frisz, Jessica F. Lou, Kaiyan Klitzing, Haley A. Hanafin, William P. Weber, Peter K. Zimmerberg, Joshua TI Chemical Imaging of the Lipid and Cholesterol Distribution in the Plasma Membranes of Intact Cells SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Kraft, Mary L.; Frisz, Jessica F.; Lou, Kaiyan; Klitzing, Haley A.; Hanafin, William P.] Univ Illinois, Urbana, IL 61801 USA. [Weber, Peter K.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Zimmerberg, Joshua] NIH, Bethesda, MD 20892 USA. NR 0 TC 0 Z9 0 U1 0 U2 4 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 26A EP 26A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200132 ER PT J AU Zhang, K Osakada, Y Chen, L He, LM Cui, BX Wu, CB AF Zhang, Kai Osakada, Yasuko Chen, Liang He, Liming Cui, Bianxiao Wu, Chengbiao TI Impact of Charcot-Marie-Tooth Type 2B Disease-Associated Rab7 Mutations on Signaling and Axonal Trafficking of NGF/TrkA SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Zhang, Kai; Osakada, Yasuko; Cui, Bianxiao] Stanford Univ, Stanford, CA 94305 USA. [Chen, Liang] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [He, Liming; Wu, Chengbiao] Univ Calif San Diego, La Jolla, CA 92093 USA. RI Chen, Liang/F-3496-2011 NR 0 TC 0 Z9 0 U1 0 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 32A EP 32A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200161 ER PT J AU Brelidze, TI Carlson, AE Sankaran, B Zagotta, WN AF Brelidze, Tinatin I. Carlson, Anne E. Sankaran, Banumathi Zagotta, William N. TI Structure of the C-Terminal Region of a KCNH Channel SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Brelidze, Tinatin I.; Carlson, Anne E.; Zagotta, William N.] Univ Washington, Sch Med, Seattle, WA USA. [Sankaran, Banumathi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 37A EP 37A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200186 ER PT J AU Whitford, PC Sanbonmatsu, K AF Whitford, Paul C. Sanbonmatsu, Karissa TI Probing the Energy Landscape of Ribosome Function Through Simulation SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Whitford, Paul C.; Sanbonmatsu, Karissa] Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 39A EP 39A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200196 ER PT J AU Qian, S Zhang, Q Urban, V O'Neill, H Heller, W AF Qian, Shuo Zhang, Qiu Urban, Volker O'Neill, Hugh Heller, William TI A Tale of Two Dimers: GFP Proteins under Macromolecular Crowding Studied by Small Angle Neutron Scattering SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Qian, Shuo; Zhang, Qiu; Urban, Volker; O'Neill, Hugh; Heller, William] Oak Ridge Natl Lab, Oak Ridge, TN USA. RI Urban, Volker/N-5361-2015; OI Urban, Volker/0000-0002-7962-3408; Qian, Shuo/0000-0002-4842-828X NR 0 TC 0 Z9 0 U1 0 U2 4 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 43A EP 43A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200215 ER PT J AU Elmer, S Sale, K Turner, K AF Elmer, Sidney Sale, Ken Turner, Kevin TI Molecular Dynamics Simulations of Cross-Linked Peptides and Enzymes SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Elmer, Sidney; Sale, Ken; Turner, Kevin] Sandia Natl Labs, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 49A EP 49A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200245 ER PT J AU Smith, D Straatsma, TP Squier, TC AF Smith, Dayle Straatsma, T. P. Squier, Thomas C. TI Calmodulin Conformational Binding Entropy Is Driven by Transient Salt Bridges SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Smith, Dayle; Straatsma, T. P.; Squier, Thomas C.] Pacific NW Natl Lab, Richland, WA 99352 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 62A EP 62A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200313 ER PT J AU Biswas, M Langowski, J Smith, JC AF Biswas, Mithun Langowski, Joerg Smith, Jeremy C. TI Structural Alterations in the Nucleosome upon H3 Tail-Truncation Reveals a Crucial Role for the H2A C Terminal Docking Domain in Nucleosome Destabilization SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Biswas, Mithun] Heidelberg Univ, Heidelberg, Germany. [Langowski, Joerg] German Canc Res Ctr, Heidelberg, Germany. [Smith, Jeremy C.] Univ Tennessee, Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN USA. RI smith, jeremy/B-7287-2012; Langowski, Jorg/A-1843-2011 OI smith, jeremy/0000-0002-2978-3227; Langowski, Jorg/0000-0001-8600-0666 NR 1 TC 0 Z9 0 U1 0 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 73A EP 73A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200371 ER PT J AU Rathnayake, SS Schulte, AT Gentit, T Phillips, A Agra-Kooijman, DM Bu, W Vaknin, D Mann, EK Burger, KNJ Kooijman, EE AF Rathnayake, Sewwandi S. Schulte, Adam T. Gentit, Taylor Phillips, Ashley Agra-Kooijman, Dena M. Bu, Wei Vaknin, David Mann, Elizabeth K. Burger, Koert N. J. Kooijman, Edgar E. TI Organization and Lipid Interaction of the Model Amphipathic alpha-Helix Bundle Protein apoLp-III SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Rathnayake, Sewwandi S.; Schulte, Adam T.; Gentit, Taylor; Phillips, Ashley; Agra-Kooijman, Dena M.; Mann, Elizabeth K.; Kooijman, Edgar E.] Kent State Univ, Kent, OH 44242 USA. [Bu, Wei] Univ Illinois, Chicago, IL USA. [Vaknin, David] Iowa State Univ, Ames Lab, Ames, IA USA. [Burger, Koert N. J.] Univ Utrecht, Utrecht, Netherlands. RI Vaknin, David/B-3302-2009 OI Vaknin, David/0000-0002-0899-9248 NR 0 TC 0 Z9 0 U1 0 U2 2 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 81A EP 81A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200411 ER PT J AU Ackerman, DG Heberle, FA Feigenson, GW AF Ackerman, David G. Heberle, Frederick A. Feigenson, Gerald W. TI Quantifying Distance Dependent Perturbations of Fluorescent Lipids in a DPPC Bilayer with Molecular Dynamics SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Ackerman, David G.; Feigenson, Gerald W.] Cornell Univ, Ithaca, NY USA. [Heberle, Frederick A.] Oak Ridge Natl Lab, Neutron Scattering Div, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 0 U2 0 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 86A EP 86A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200434 ER PT J AU Kekenes-Huskey, PM Hake, J Cheng, YH Holst, M Sachse, FB Bridge, JH McCulloch, A McCammon, JA Michailova, A AF Kekenes-Huskey, Peter M. Hake, Johan Cheng, Yuhui Holst, Michael Sachse, Frank B. Bridge, John H. McCulloch, Andrew McCammon, James A. Michailova, Anushka TI Modeling Calcium Dynamics in Realistic Rabbit Ventricular Myocytes with Several Transverse Tubules SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Kekenes-Huskey, Peter M.; Hake, Johan; Holst, Michael; McCulloch, Andrew; McCammon, James A.; Michailova, Anushka] UCSD, La Jolla, CA USA. [Cheng, Yuhui] PNNL, Richland, WA USA. [Sachse, Frank B.; Bridge, John H.] Univ Utah, Salt Lake City, UT USA. NR 0 TC 0 Z9 0 U1 0 U2 0 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 102A EP 102A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200515 ER PT J AU Ullah, G Mak, DOD Pearson, JE AF Ullah, Ghanim Mak, Don-On D. Pearson, John E. TI A Data Driven Approach to Learning the Kinetics of Single Molecules: A Case Study of Single Inositol 1,4,5-Trisphosphate Receptor Channel SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Ullah, Ghanim; Pearson, John E.] Los Alamos Natl Lab, Los Alamos, NM USA. [Mak, Don-On D.] Univ Penn, Philadelphia, PA 19104 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 110A EP 110A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200555 ER PT J AU Carpenter, TS Lau, EY Lightstone, FC AF Carpenter, Timothy S. Lau, Edmond Y. Lightstone, Felice C. TI A Molecular Dynamics Study on the Effect of Disulfide Bonds in Cys-Loop Ligand-Gated GABAA Receptors SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc ID REDOX MODULATION; CHANNEL C1 [Carpenter, Timothy S.; Lau, Edmond Y.; Lightstone, Felice C.] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 4 TC 0 Z9 0 U1 1 U2 3 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 111A EP 111A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200561 ER PT J AU Miao, YL Baudry, J AF Miao, Yinglong Baudry, Jerome TI Active Site Hydration and Water Diffusion in Cytochrome P450Cam: A Highly Dynamic Process SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Miao, Yinglong; Baudry, Jerome] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN USA. [Miao, Yinglong; Baudry, Jerome] Univ Tennessee, Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 2 U2 4 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 135A EP 136A PG 2 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561200679 ER PT J AU Savikhin, S Hartzler, DA Kihara, S Niklas, J Poluektov, O Li, H Tsukatani, Y Bryant, DA AF Savikhin, Sergei Hartzler, Dan A. Kihara, Shigeharu Niklas, Jens Poluektov, Oleg Li, Hui Tsukatani, Yusuke Bryant, Donald A. TI Efficient Intrinsic Photoprotection in Strongly Coupled (Bacterio) Chloropyll Complexes SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Savikhin, Sergei; Hartzler, Dan A.; Kihara, Shigeharu] Purdue Univ, W Lafayette, IN 47907 USA. [Niklas, Jens; Poluektov, Oleg] Argonne Natl Lab, Argonne, IL 60439 USA. [Li, Hui; Tsukatani, Yusuke; Bryant, Donald A.] Penn State Univ, University Pk, PA 16802 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 167A EP 167A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201129 ER PT J AU Bardhan, JP Brune, PR AF Bardhan, Jaydeep P. Brune, Peter R. TI Charge Burial Energetics and Protein pKa Shifts Modeled with Nonlocal Electrostatics SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Bardhan, Jaydeep P.] Rush Univ, Med Ctr, Chicago, IL 60612 USA. [Brune, Peter R.] Argonne Natl Lab, Argonne, IL 60439 USA. NR 0 TC 0 Z9 0 U1 1 U2 3 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 168A EP 168A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201138 ER PT J AU Jiao, D Rempe, S AF Jiao, Dian Rempe, Susan TI Prediction of pKa Value of Zinc-Bound Water in Carbonic Anhydrase SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Jiao, Dian; Rempe, Susan] Sandia Natl Labs, Albuquerque, NM USA. NR 0 TC 0 Z9 0 U1 1 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 168A EP 168A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201136 ER PT J AU Thomas, DG Chun, J Baker, NA AF Thomas, Dennis G. Chun, Jaehun Baker, Nathan A. TI Improving Implicit Solvent Models with Differential Geometry SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Thomas, Dennis G.; Chun, Jaehun; Baker, Nathan A.] Pacific NW Natl Lab, Richland, WA 99352 USA. RI Baker, Nathan/A-8605-2010 OI Baker, Nathan/0000-0002-5892-6506 NR 0 TC 0 Z9 0 U1 0 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 169A EP 169A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201141 ER PT J AU Shepherd, DP Li, N Hong-Geller, E Munsky, B Werner, JH AF Shepherd, Douglas P. Li, Nan Hong-Geller, Elizabeth Munsky, Brian Werner, James H. TI New Tools for Discovering the Role sRNA Plays in Cell Regulation SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Shepherd, Douglas P.; Li, Nan; Hong-Geller, Elizabeth; Munsky, Brian; Werner, James H.] Los Alamos Natl Lab, Los Alamos, NM USA. RI Munsky, Brian/A-1947-2016 OI Munsky, Brian/0000-0001-6147-7329 NR 3 TC 0 Z9 0 U1 0 U2 0 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 178A EP 179A PG 2 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201190 ER PT J AU Yeh, HC Sharma, J Martinez, JS Werner, JH AF Yeh, Hsin-Chih Sharma, Jaswinder Martinez, Jennifer S. Werner, James H. TI The Color Switching Behavior of DNA-Templated Silver Nanoclusters SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Yeh, Hsin-Chih; Sharma, Jaswinder; Martinez, Jennifer S.; Werner, James H.] Los Alamos Natl Lab, Los Alamos, NM USA. NR 2 TC 0 Z9 0 U1 4 U2 9 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 186A EP 186A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201235 ER PT J AU Cappuccio, JA Lui, GV Pillar, VD Ajo-Franklin, CM AF Cappuccio, Jenny A. Lui, Gillian V. Pillar, Veronica D. Ajo-Franklin, Caroline M. TI Tuning Microbial Surfaces to Control Carbonate Mineralization SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Cappuccio, Jenny A.; Ajo-Franklin, Caroline M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Lui, Gillian V.] Middlebury Coll, Dept Environm Studies, Middlebury, VT 05753 USA. [Pillar, Veronica D.] Cornell Univ, Dept Phys, Ithaca, NY 14853 USA. NR 0 TC 1 Z9 1 U1 0 U2 4 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 188A EP 188A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201243 ER PT J AU Ileri, N Letant, SE Britten, J Tringe, JW AF Ileri, Nazar Letant, Sonia E. Britten, Jerry Tringe, Joseph W. TI Study of Electrophoretic Mobility of Proteins in Agarose and Poly-Acrylamide Gels SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Ileri, Nazar; Letant, Sonia E.; Britten, Jerry; Tringe, Joseph W.] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 189A EP 189A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201248 ER PT J AU Tanner, K Bissell, MJ AF Tanner, Kandice Bissell, Mina J. TI Angular Morhpomechanics in the Establishment of Multicellular Architecture SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Tanner, Kandice; Bissell, Mina J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 196A EP 196A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201284 ER PT J AU Smith, EA Le Gros, MA Larabell, CA AF Smith, Elizabeth A. Le Gros, Mark A. Larabell, Carolyn A. TI Correlated Soft X-Ray Tomography and Cryogenic Confocal Fluorescence Microscopy SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Smith, Elizabeth A.; Larabell, Carolyn A.] UCSF, San Francisco, CA USA. [Le Gros, Mark A.; Larabell, Carolyn A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 1 U2 9 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 197A EP 197A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201292 ER PT J AU Davenport, MW Healy, K Siwy, ZS Letant, SE AF Davenport, Matthew W. Healy, Ken Siwy, Zuzanna S. Letant, Sonia E. TI Parametric Study of Nanopore Versus Analyte Dimensions for Viral Detection Optimization SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Davenport, Matthew W.; Healy, Ken; Siwy, Zuzanna S.] Univ Calif Irvine, Irvine, CA USA. [Letant, Sonia E.] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 3 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 203A EP 203A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201322 ER PT J AU Tu, HL Iversen, L Lin, WC Christensen, S Iwig, J Gureasko, J Kuriyan, J Groves, JT AF Tu, Hsiung-Lin Iversen, Lars Lin, Wan-Chen Christensen, Sune Iwig, Jeffrey Gureasko, Jodi Kuriyan, John Groves, Jay T. TI Single Molecule Study of the Processive Ras/SOS Interaction SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Tu, Hsiung-Lin; Iversen, Lars; Christensen, Sune] Univ Calif Berkeley, Dept Chem, Berkeley, CA USA. [Lin, Wan-Chen] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA USA. [Iwig, Jeffrey; Gureasko, Jodi] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA USA. [Kuriyan, John; Groves, Jay T.] Univ Calif Berkeley, Howard Hughes Med Inst, Dept Chem, Berkeley, CA USA. [Kuriyan, John] Univ Calif Berkeley, Howard Hughes Med Inst, Dept Mol & Cell Biol, Berkeley, CA USA. [Kuriyan, John; Groves, Jay T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RI Iversen, Lars/C-5298-2011 OI Iversen, Lars/0000-0002-1314-130X NR 0 TC 0 Z9 0 U1 0 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 222A EP 222A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201422 ER PT J AU Benjamini, A Smit, B AF Benjamini, Ayelet Smit, Berend TI Lipid Mediated Packing of Transmembrane Helices SO BIOPHYSICAL JOURNAL LA English DT Meeting Abstract CT 56th Annual Meeting of the Biophysical-Society CY FEB 25-29, 2012 CL San Diego, CA SP Biophys Soc C1 [Benjamini, Ayelet; Smit, Berend] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 2 TC 0 Z9 0 U1 0 U2 1 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 JAN 31 PY 2012 VL 102 IS 3 SU 1 BP 232A EP 232A PG 1 WC Biophysics SC Biophysics GA 179ZF UT WOS:000321561201472 ER EF