FN Thomson Reuters Web of Science™
VR 1.0
PT J
AU Wu, Y
Streets, DG
Wang, SX
Hao, JM
AF Wu, Y.
Streets, D. G.
Wang, S. X.
Hao, J. M.
TI Uncertainties in estimating mercury emissions from coal-fired power
plants in China
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID GASEOUS ELEMENTAL MERCURY; ATMOSPHERIC MERCURY; DEPOSITION; ASIA;
COMBUSTION; INVENTORY; GUIZHOU
AB A detailed multiple-year inventory of mercury emissions from anthropogenic activities in China has been developed. Coal combustion and nonferrous metals production continue to be the two leading mercury sources in China, together contributing similar to 80% of total mercury emissions. However, many uncertainties still remain in our knowledge of primary anthropogenic releases of mercury to the atmosphere in China. In situations involving large uncertainties, our previous mercury emission inventory that used a deterministic approach could produce results that might not be a true reflection of reality; and in such cases stochastic simulations incorporating uncertainties need to be performed. Within our inventory, a new comprehensive sub-module for estimation of mercury emissions from coal-fired power plants in China is constructed as an uncertainty case study. The new sub-module integrates up-to-date information regarding mercury content in coal by province, coal washing and cleaning, coal consumption by province, mercury removal efficiencies by control technology or technology combinations, etc. Based on these detailed data, probability-based distribution functions are built into the sub-module to address the uncertainties of these key parameters. The sub-module incorporates Monte Carlo simulations to take into account the probability distributions of key input parameters and produce the mercury emission results in the form of a statistical distribution. For example, the best estimate for total mercury emissions from coal-fired power plants in China in 2003 is 90.5 Mg, with the uncertainty range from 57.1 Mg (P10) to 154.6 Mg (P90); and the best estimate for elemental mercury emissions is 43.0 Mg, with the uncertainty range from 25.6 Mg (P10) to 75.7 Mg (P90). The results further indicate that the majority of the uncertainty in mercury emission estimation comes from two factors: mercury content of coal and mercury removal efficiency.
C1 [Wu, Y.; Wang, S. X.; Hao, J. M.] Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China.
[Wu, Y.; Wang, S. X.; Hao, J. M.] Tsinghua Univ, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China.
[Streets, D. G.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA.
RP Wu, Y (reprint author), Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China.
EM ywu@tsinghua.edu.cn
RI wang, shuxiao/H-5990-2011; Wu, Ye/O-9779-2015;
OI wang, shuxiao/0000-0001-9727-1963; Streets, David/0000-0002-0223-1350
FU State Key Joint Laboratory of Environment Simulation and Pollution
Control [08Z03ESPCT]; National Natural Science Foundation of China
[20937002]; US Department of Energy (DOE); Argonne National Laboratory;
UChicago Argonne, LLC [DE-AC0206CH11357]; US Department of Energy
FX This work was sponsored by (1) State Key Joint Laboratory of Environment
Simulation and Pollution Control (08Z03ESPCT), (2) the National Natural
Science Foundation of China (20937002), and (3) the National Energy
Technology Laboratory, which is owned and operated by the US Department
of Energy (DOE). Argonne National Laboratory is operated by UChicago
Argonne, LLC, under Contract No. DE-AC0206CH11357 with the US Department
of Energy.
NR 47
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U1 1
U2 34
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 6
BP 2937
EP 2946
PG 10
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 576XA
UT WOS:000276182100025
ER
PT J
AU Lohmann, U
Rotstayn, L
Storelvmo, T
Jones, A
Menon, S
Quaas, J
Ekman, AML
Koch, D
Ruedy, R
AF Lohmann, U.
Rotstayn, L.
Storelvmo, T.
Jones, A.
Menon, S.
Quaas, J.
Ekman, A. M. L.
Koch, D.
Ruedy, R.
TI Total aerosol effect: radiative forcing or radiative flux perturbation?
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID MIXED-PHASE CLOUDS; ANTHROPOGENIC SULFATE AEROSOLS; GENERAL-CIRCULATION
MODELS; CLIMATE SYSTEM PROPERTIES; MODIS SATELLITE DATA; GLOBAL CLIMATE;
SPECTRAL DISPERSION; SULFUR CYCLE; BLACK CARBON; SENSITIVITY
AB Uncertainties in aerosol radiative forcings, especially those associated with clouds, contribute to a large extent to uncertainties in the total anthropogenic forcing. The interaction of aerosols with clouds and radiation introduces feedbacks which can affect the rate of precipitation formation. In former assessments of aerosol radiative forcings, these effects have not been quantified. Also, with global aerosol-climate models simulating interactively aerosols and cloud microphysical properties, a quantification of the aerosol forcings in the traditional way is difficult to define properly. Here we argue that fast feedbacks should be included because they act quickly compared with the time scale of global warming. We show that for different forcing agents (aerosols and greenhouse gases) the radiative forcings as traditionally defined agree rather well with estimates from a method, here referred to as radiative flux perturbations (RFP), that takes these fast feedbacks and interactions into account. Based on our results, we recommend RFP as a valid option to compare different forcing agents, and to compare the effects of particular forcing agents in different models.
C1 [Lohmann, U.; Storelvmo, T.] Swiss Fed Inst Technol, Inst Atmospher & Climate Sci, Zurich, Switzerland.
[Rotstayn, L.] CSIRO, Ctr Australian Weather & Climate Res, Aspendale, Vic, Australia.
[Jones, A.] Met Off Hadley Ctr, Exeter, Devon, England.
[Menon, S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA.
[Quaas, J.] Max Planck Inst Meteorol, Hamburg, Germany.
[Ekman, A. M. L.] Stockholm Univ, S-10691 Stockholm, Sweden.
[Koch, D.; Ruedy, R.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
RP Lohmann, U (reprint author), Swiss Fed Inst Technol, Inst Atmospher & Climate Sci, Zurich, Switzerland.
EM ulrike.lohmann@env.ethz.ch
RI Rotstayn, Leon/A-1756-2012; Quaas, Johannes/I-2656-2013; Lohmann,
Ulrike/B-6153-2009
OI Rotstayn, Leon/0000-0002-2385-4223; Quaas, Johannes/0000-0001-7057-194X;
Lohmann, Ulrike/0000-0001-8885-3785
NR 92
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U1 3
U2 38
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 7
BP 3235
EP 3246
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 583HD
UT WOS:000276663600006
ER
PT J
AU Tosca, MG
Randerson, JT
Zender, CS
Flanner, MG
Rasch, PJ
AF Tosca, M. G.
Randerson, J. T.
Zender, C. S.
Flanner, M. G.
Rasch, P. J.
TI Do biomass burning aerosols intensify drought in equatorial Asia during
El Nino?
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID SEA-SURFACE TEMPERATURE; INDIAN-OCEAN EXPERIMENT; PACIFIC WARM POOL;
MARITIME CONTINENT; FOREST-FIRES; BLACK CARBON; CLIMATE; SATELLITE;
RAINFALL; CYCLE
AB During El Nino years, fires in tropical forests and peatlands in equatorial Asia create large regional smoke clouds. We characterized the sensitivity of these clouds to regional drought, and we investigated their effects on climate by using an atmospheric general circulation model. Satellite observations during 2000-2006 indicated that El Nino-induced regional drought led to increases in fire emissions and, consequently, increases in aerosol optical depths over Sumatra, Borneo and the surrounding ocean. Next, we used the Community Atmosphere Model (CAM) to investigate how climate responded to this forcing. We conducted two 30 year simulations in which monthly fire emissions were prescribed for either a high (El Nino, 1997) or low (La Nina, 2000) fire year using a satellite-derived time series of fire emissions. Our simulations included the direct and semi-direct effects of aerosols on the radiation budget within the model. We assessed the radiative and climate effects of anthropogenic fire by analyzing the differences between the high and low fire simulations. Fire aerosols reduced net shortwave radiation at the surface during August-October by 19.1 +/- 12.9 W m(-2) (10%) in a region that encompassed most of Sumatra and Borneo (90 degrees E-120 degrees E, 5 degrees S-5 degrees N). The reductions in net shortwave radiation cooled sea surface temperatures (SSTs) and land surface temperatures by 0.5 +/- 0.3 and 0.4 +/- 0.2 degrees C during these months. Tropospheric heating from black carbon (BC) absorption averaged 20.5 +/- 9.3 W m(-2) and was balanced by a reduction in latent heating. The combination of decreased SSTs and increased atmospheric heating reduced regional precipitation by 0.9 +/- 0.6 mm d(-1) (10%). The vulnerability of ecosystems to fire was enhanced because the decreases in precipitation exceeded those for evapotranspiration. Together, the satellite and modeling results imply a possible positive feedback loop in which anthropogenic burning in the region intensifies drought stress during El Nino.
C1 [Tosca, M. G.; Randerson, J. T.; Zender, C. S.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92717 USA.
[Flanner, M. G.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Rasch, P. J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Tosca, MG (reprint author), Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92717 USA.
EM mtosca@uci.edu
RI Flanner, Mark/C-6139-2011; Zender, Charles/D-4485-2012; Tosca,
Michael/J-4908-2015
OI Flanner, Mark/0000-0003-4012-174X; Zender, Charles/0000-0003-0129-8024;
Tosca, Michael/0000-0003-1301-8341
FU NSF [ATM-0628637, ARC-0714088]; NASA [NNX08AF64G, 08-Earth08F-189,
NNX07AR23G]
FX We are grateful for support from NSF (ATM-0628637) and NASA
(NNX08AF64G). M. G. T. received support from a NASA Earth and Space
Science Fellowship (08-Earth08F-189). C. S. Z. acknowledges NSF
(ARC-0714088) and NASA (NNX07AR23G) support.
NR 61
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U1 4
U2 34
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 8
BP 3515
EP 3528
DI 10.5194/acp-10-3515-2010
PG 14
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 589WR
UT WOS:000277185400005
ER
PT J
AU Menon, S
Koch, D
Beig, G
Sahu, S
Fasullo, J
Orlikowski, D
AF Menon, S.
Koch, D.
Beig, G.
Sahu, S.
Fasullo, J.
Orlikowski, D.
TI Black carbon aerosols and the third polar ice cap
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID CLOUD MICROPHYSICS; CLIMATE; IMPACTS; INDIA; TRENDS; MODEL; SNOW; SOOT;
ASIA; SEA
AB Recent thinning of glaciers over the Himalayas (sometimes referred to as the third polar region) have raised concern on future water supplies since these glaciers supply water to large river systems that support millions of people inhabiting the surrounding areas. Black carbon (BC) aerosols, released from incomplete combustion, have been increasingly implicated as causing large changes in the hydrology and radiative forcing over Asia and its deposition on snow is thought to increase snow melt. In India BC emissions from biofuel combustion is highly prevalent and compared to other regions, BC aerosol amounts are high. Here, we quantify the impact of BC aerosols on snow cover and precipitation from 1990 to 2010 over the Indian subcontinental region using two different BC emission inventories. New estimates indicate that Indian BC emissions from coal and biofuel are large and transport is expected to expand rapidly in coming years. We show that over the Himalayas, from 1990 to 2000, simulated snow/ice cover decreases by similar to 0.9% due to aerosols. The contribution of the enhanced Indian BC to this decline is similar to 36%, similar to that simulated for 2000 to 2010. Spatial patterns of modeled changes in snow cover and precipitation are similar to observations (from 1990 to 2000), and are mainly obtained with the newer BC estimates.
C1 [Menon, S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA.
[Koch, D.] Columbia Univ, NASA GISS, New York, NY USA.
[Beig, G.; Sahu, S.] Indian Inst Trop Meteorol, Pune, Maharashtra, India.
[Fasullo, J.] CGD NCAR, Climate Anal Sect, Boulder, CO USA.
[Orlikowski, D.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Menon, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA.
EM smenon@lbl.gov
OI Beig, Gufran/0000-0002-5564-7210; FASULLO, JOHN/0000-0003-1216-892X
FU US Department of Energy at Lawrence Berkeley National Laboratory
[DE-AC02-05CH11231]; US Department of Energy at Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; NASA; DOE
FX This work was supported by the US Department of Energy under Contract
No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory and under
Contract DE-AC52-07NA27344 at Lawrence Livermore National Laboratory. S.
M. acknowledges support from the NASA MAP Program and the DOE
Atmospheric Radiation Program and thanks Hugh Morrison (NCAR) and Igor
Sednev (LBNL) for help with the cloud scheme used in the climate model
and Nadine Unger (NASA GISS) for help with determining the statistical
significance of the results.
NR 39
TC 98
Z9 101
U1 8
U2 41
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 10
BP 4559
EP 4571
DI 10.5194/acp-10-4559-2010
PG 13
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 603CE
UT WOS:000278184700008
ER
PT J
AU Wyant, MC
Wood, R
Bretherton, CS
Mechoso, CR
Bacmeister, J
Balmaseda, MA
Barrett, B
Codron, F
Earnshaw, P
Fast, J
Hannay, C
Kaiser, JW
Kitagawa, H
Klein, SA
Kohler, M
Manganello, J
Pan, HL
Sun, F
Wang, S
Wang, Y
AF Wyant, M. C.
Wood, R.
Bretherton, C. S.
Mechoso, C. R.
Bacmeister, J.
Balmaseda, M. A.
Barrett, B.
Codron, F.
Earnshaw, P.
Fast, J.
Hannay, C.
Kaiser, J. W.
Kitagawa, H.
Klein, S. A.
Koehler, M.
Manganello, J.
Pan, H. -L.
Sun, F.
Wang, S.
Wang, Y.
TI The PreVOCA experiment: modeling the lower troposphere in the Southeast
Pacific
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID COMMUNITY ATMOSPHERE MODEL; GENERAL-CIRCULATION MODELS; LAYER MIXING
SCHEME; LARGE-SCALE MODELS; LIQUID WATER PATH; PART I; CLIMATE MODEL;
MICROPHYSICAL PROCESSES; BULK PARAMETERIZATION; OROGRAPHIC INFLUENCES
AB The Preliminary VOCALS Model Assessment (PreVOCA) aims to assess contemporary atmospheric modeling of the subtropical South East Pacific, with a particular focus on the clouds and the marine boundary layer (MBL). Models results from fourteen modeling centers were collected including operational forecast models, regional models, and global climate models for the month of October 2006. Forecast models and global climate models produced daily forecasts, while most regional models were run continuously during the study period, initialized and forced at the boundaries with global model analyses. Results are compared in the region from 40 degrees S to the equator and from 110 degrees W to 70 degrees W, corresponding to the Pacific coast of South America. Mean-monthly model surface winds agree well with QuikSCAT observed winds and models agree fairly well on mean weak large-scale subsidence in the region next to the coast. However they have greatly differing geographic patterns of mean cloud fraction with only a few models agreeing well with MODIS observations. Most models also underestimate the MBL depth by several hundred meters in the eastern part of the study region. The diurnal cycle of liquid water path is underestimated by most models at the 85 degrees W 20 degrees S stratus buoy site compared with satellite, consistent with previous modeling studies. The low cloud fraction is also underestimated during all parts of the diurnal cycle compared to surface-based climatologies. Most models qualitatively capture the MBL deepening around 15 October 2006 at the stratus buoy, associated with colder air at 700 hPa.
C1 [Wyant, M. C.; Wood, R.; Bretherton, C. S.] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA.
[Mechoso, C. R.; Wang, S.] Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA USA.
[Bacmeister, J.] NASA, Global Modeling & Assimiliat Off, Goddard Space Flight Ctr, Greenbelt, MD USA.
[Balmaseda, M. A.; Kaiser, J. W.; Koehler, M.] European Ctr Medium Range Weather Forecasts, Dept Res, Reading RG2 9AX, Berks, England.
[Barrett, B.] Univ Chile, Dept Geophys, Santiago, Chile.
[Codron, F.] Univ Paris 06, Meteorol Dynam Lab, Paris, France.
[Earnshaw, P.] Met Off, Exeter, Devon, England.
[Fast, J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Hannay, C.] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO 80307 USA.
[Kitagawa, H.] Japan Meteorol Agcy, Meteorol Coll, Tokyo, Japan.
[Klein, S. A.] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA USA.
[Manganello, J.] Ctr Ocean Land Atmosphere Studies, Calverton, MD USA.
[Pan, H. -L.] Natl Ctr Environm Predict, Environm Modeling Ctr, Camp Springs, MD USA.
[Wang, S.] USN, Marine Meteorol Div, Res Lab, Monterey, CA USA.
[Wang, Y.] Univ Hawaii Manoa, Int Pacific Res Ctr, Sch Ocean & Earth Sci & Technol, Honolulu, HI 96822 USA.
RP Wyant, MC (reprint author), Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA.
EM mwyant@atmos.washington.edu
RI Klein, Stephen/H-4337-2016; Earnshaw, Paul/F-7148-2010; Earnshaw,
Paul/A-3289-2009; Wood, Robert/A-2989-2008; Kaiser,
Johannes/A-7057-2012; Codron, Francis/F-2719-2014
OI Klein, Stephen/0000-0002-5476-858X; Wood, Robert/0000-0002-1401-3828;
Kaiser, Johannes/0000-0003-3696-9123; Codron,
Francis/0000-0001-7038-6189
FU U.S. Department of Energy's Office of Science; US Department of Energy
by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; NASA
[NX06AB74G]; NSF [ATM0745702]; NOAA [NA070AR4310282]
FX Thanks to D. Painemal and P. Zuidema for providing MODIS retrieved
cloud-top heights. Also thanks to S. Park who provided his gridded EECRA
data. COSMIC data was provided by B. Kuo. Many thanks to L. O'Neill at
NRL who provided diurnal fits and monthly mean of LWP from satellite.
CALIPSO cloud top-height data was provided by D. Wu of the Ocean
University of China. Thanks also to Virendra Ghate for providing diurnal
cloud fraction data. QuikSCAT data are produced by Remote Sensing
Systems and sponsored by the NASA Ocean Vector Winds Science Team. S.
deSzoeke's archive of ship observations was very helpful to this work.
The ISCCP FD data were obtained from the ISCCP web site
http://isccp.giss.nasa.gov maintained at NASA GISS. S. A. Klein
acknowledges M. Zhao (GFDL) for performing GFDL model integrations, J.
Boyle (LLNL) for preparing analysis data, and the U.S. Department of
Energy's Office of Science Climate Change Prediction and Atmospheric
Radiation Measurement programs for financial support. The contribution
of S. A. Klein to this work is performed under the auspices of the US
Department of Energy by Lawrence Livermore National Laboratory under
contract DE-AC52-07NA27344. We acknowledge the support of NASA award No.
NX06AB74G for C. Hannay. This work was also supported by NSF grant
ATM0745702 and NOAA grant NA070AR4310282.
NR 65
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U1 0
U2 8
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 10
BP 4757
EP 4774
DI 10.5194/acp-10-4757-2010
PG 18
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 603CE
UT WOS:000278184700022
ER
PT J
AU Ervens, B
Cubison, MJ
Andrews, E
Feingold, G
Ogren, JA
Jimenez, JL
Quinn, PK
Bates, TS
Wang, J
Zhang, Q
Coe, H
Flynn, M
Allan, JD
AF Ervens, B.
Cubison, M. J.
Andrews, E.
Feingold, G.
Ogren, J. A.
Jimenez, J. L.
Quinn, P. K.
Bates, T. S.
Wang, J.
Zhang, Q.
Coe, H.
Flynn, M.
Allan, J. D.
TI CCN predictions using simplified assumptions of organic aerosol
composition and mixing state: a synthesis from six different locations
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID CLOUD CONDENSATION NUCLEI; SIZE-RESOLVED MEASUREMENTS; HYGROSCOPIC
PROPERTIES; CHEMICAL-COMPOSITION; ATMOSPHERIC AEROSOL;
MASS-SPECTROMETRY; GROWTH; PARTICLES; CHEMISTRY; CLOSURE
AB An accurate but simple quantification of the fraction of aerosol particles that can act as cloud condensation nuclei (CCN) is needed for implementation in large-scale models. Data on aerosol size distribution, chemical composition, and CCN concentration from six different locations have been analyzed to explore the extent to which simple assumptions of composition and mixing state of the organic fraction can reproduce measured CCN number concentrations.
Fresher pollution aerosol as encountered in Riverside, CA, and the ship channel in Houston, TX, cannot be represented without knowledge of more complex (size-resolved) composition. For aerosol that has experienced processing (Mexico City, Holme Moss (UK), Point Reyes (CA), and Chebogue Point (Canada)), CCN can be predicted within a factor of two assuming either externally or internally mixed soluble organics although these simplified compositions/mixing states might not represent the actual properties of ambient aerosol populations, in agreement with many previous CCN studies in the literature. Under typical conditions, a factor of two uncertainty in CCN concentration due to composition assumptions translates to an uncertainty of similar to 15% in cloud drop concentration, which might be adequate for large-scale models given the much larger uncertainty in cloudiness.
C1 [Ervens, B.; Cubison, M. J.; Andrews, E.; Jimenez, J. L.] Univ Colorado, CIRES, Boulder, CO 80309 USA.
[Ervens, B.; Andrews, E.; Feingold, G.; Ogren, J. A.] NOAA, Earth Syst Res Lab, Boulder, CO USA.
[Jimenez, J. L.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Quinn, P. K.; Bates, T. S.] NOAA, Pacific Marine Environm Lab, Seattle, WA 98115 USA.
[Wang, J.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Zhang, Q.] Univ Calif Davis, Dept Environm Toxicol, Davis, CA 95616 USA.
[Allan, J. D.] Univ Manchester, Sch Earth Atmospher & Environm Sci, Natl Ctr Atmospher Sci, Manchester M13 9PL, Lancs, England.
RP Ervens, B (reprint author), Univ Colorado, CIRES, Boulder, CO 80309 USA.
EM barbara.ervens@noaa.gov
RI Quinn, Patricia/R-1493-2016; Manager, CSD Publications/B-2789-2015;
Jimenez, Jose/A-5294-2008; Zhang, Qi/F-9653-2010; Wang,
Jian/G-9344-2011; Allan, James/B-1160-2010; Coe, Hugh/C-8733-2013;
Ervens, Barbara/D-5495-2013; Feingold, Graham/B-6152-2009; Ogren,
John/M-8255-2015; Bates, Timothy/L-6080-2016
OI Quinn, Patricia/0000-0003-0337-4895; Coe, Hugh/0000-0002-3264-1713;
Jimenez, Jose/0000-0001-6203-1847; Allan, James/0000-0001-6492-4876;
Ervens, Barbara/0000-0002-6223-1635; Ogren, John/0000-0002-7895-9583;
FU U.S. Department of Energy [DE-FG02-08ER64539 (DE-FG02-08ER64627)]
FX BE (MJC, JLJ and QZ) acknowledge funding from the U.S. Department of
Energy (BER, ASP Program), Grant DE-FG02-08ER64539 (DE-FG02-08ER64627).
NR 54
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U1 5
U2 23
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 10
BP 4795
EP 4807
DI 10.5194/acp-10-4795-2010
PG 13
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 603CE
UT WOS:000278184700024
ER
PT J
AU Aiken, AC
de Foy, B
Wiedinmyer, C
DeCarlo, PF
Ulbrich, IM
Wehrli, MN
Szidat, S
Prevot, ASH
Noda, J
Wacker, L
Volkamer, R
Fortner, E
Wang, J
Laskin, A
Shutthanandan, V
Zheng, J
Zhang, R
Paredes-Miranda, G
Arnott, WP
Molina, LT
Sosa, G
Querol, X
Jimenez, JL
AF Aiken, A. C.
de Foy, B.
Wiedinmyer, C.
DeCarlo, P. F.
Ulbrich, I. M.
Wehrli, M. N.
Szidat, S.
Prevot, A. S. H.
Noda, J.
Wacker, L.
Volkamer, R.
Fortner, E.
Wang, J.
Laskin, A.
Shutthanandan, V.
Zheng, J.
Zhang, R.
Paredes-Miranda, G.
Arnott, W. P.
Molina, L. T.
Sosa, G.
Querol, X.
Jimenez, J. L.
TI Mexico city aerosol analysis during MILAGRO using high resolution
aerosol mass spectrometry at the urban supersite (T0) - Part 2: Analysis
of the biomass burning contribution and the non-fossil carbon fraction
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID SECONDARY ORGANIC AEROSOL; SOURCE APPORTIONMENT; AIR-POLLUTION;
CHEMICAL-COMPOSITION; FIELD CAMPAIGN; MCMA-2003 CAMPAIGN;
METROPOLITAN-AREA; AMBIENT AEROSOLS; HYDROCARBON-LIKE; NORTH-AMERICA
AB Submicron aerosol was analyzed during the MILAGRO field campaign in March 2006 at the T0 urban supersite in Mexico City with a High-Resolution Aerosol Mass Spectrometer (AMS) and complementary instrumentation. Positive Matrix Factorization (PMF) of high resolution AMS spectra identified a biomass burning organic aerosol (BBOA) component, which includes several large plumes that appear to be from forest fires within the region. Here, we show that the AMS BBOA concentration at T0 correlates with fire counts in the vicinity of Mexico City and that most of the BBOA variability is captured when the FLEXPART model is used for the dispersion of fire emissions as estimated from satellite fire counts. The resulting FLEXPART fire impact factor (FIF) correlates well with the observed BBOA, acetonitrile (CH3CN), levoglucosan, and potassium, indicating that wildfires in the region surrounding Mexico City are the dominant source of BBOA at T0 during MILAGRO. The impact of distant BB sources such as the Yucatan is small during this period. All fire tracers are correlated, with BBOA and levoglucosan showing little background, acetonitrile having a well-known tropospheric background of similar to 100-150 pptv, and PM2.5 potassium having a background of similar to 160 ng m(-3) (two-thirds of its average concentration), which does not appear to be related to BB sources.
We define two high fire periods based on satellite fire counts and FLEXPART-predicted FIFs. We then compare these periods with a low fire period when the impact of regional fires is about a factor of 5 smaller. Fire tracers are very elevated in the high fire periods whereas tracers of urban pollution do not change between these periods. Dust is also elevated during the high BB period but this appears to be coincidental due to the drier conditions and not driven by direct dust emission from the fires. The AMS oxygenated organic aerosol (OA) factor (OOA, mostly secondary OA or SOA) does not show an increase during the fire periods or a correlation with fire counts, FLEXPART-predicted FIFs or fire tracers, indicating that it is dominated by urban and/or regional sources and not by the fires near the MCMA.
A new C-14 aerosol dataset is presented. Both this new and a previously published dataset of 14C analysis suggest a similar BBOA contribution as the AMS and chemical mass balance (CMB), resulting in 13% higher non-fossil carbon during the high vs. low regional fire periods. The new dataset has similar to 15% more fossil carbon on average than the previously published one, and possible reasons for this discrepancy are discussed. During the low regional fire period, 38% of organic carbon (OC) and 28% total carbon (TC) are from non-fossil sources, suggesting the importance of urban and regional non-fossil carbon sources other than the fires, such as food cooking and regional biogenic SOA.
The ambient BBOA/Delta CH3CN ratio is much higher in the afternoon when the wildfires are most intense than during the rest of the day. Also, there are large differences in the contributions of the different OA components to the surface concentrations vs. the integrated column amounts. Both facts may explain some apparent disagreements between BB impacts estimated from afternoon aircraft flights vs. those from 24-h ground measurements.
We show that by properly accounting for the non-BB sources of K, all of the BB PM estimates from MILAGRO can be reconciled. Overall, the fires from the region near the MCMA are estimated to contribute 15-23% of the OA and 7-9% of the fine PM at T0 during MILAGRO, and 2-3% of the fine PM as an annual average. The 2006 MCMA emissions inventory contains a substantially lower impact of the forest fire emissions, although a fraction of these emissions occur just outside of the MCMA inventory area.
C1 [Aiken, A. C.; Ulbrich, I. M.; Volkamer, R.; Jimenez, J. L.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Aiken, A. C.; DeCarlo, P. F.; Ulbrich, I. M.; Volkamer, R.; Jimenez, J. L.] Univ Colorado, CIRES, Boulder, CO 80309 USA.
[de Foy, B.] St Louis Univ, St Louis, MO 63103 USA.
[Wiedinmyer, C.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[DeCarlo, P. F.] Univ Colorado, Dept Atmospher & Ocean Sci, Boulder, CO 80309 USA.
[Wehrli, M. N.; Szidat, S.] Univ Bern, Dept Chem & Biochem, Bern, Switzerland.
[Prevot, A. S. H.] Paul Scherrer Inst, Lab Atmospher Chem, Villigen, Switzerland.
[Noda, J.] Univ Gothenburg, Dept Chem, Gothenburg, Sweden.
[Wacker, L.] ETH Honggerberg, Inst Particle Phys, Zurich, Switzerland.
[Fortner, E.; Zheng, J.; Zhang, R.] Texas A&M Univ, College Stn, TX USA.
[Wang, J.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Laskin, A.; Shutthanandan, V.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Paredes-Miranda, G.; Arnott, W. P.] Univ Nevada, Dept Phys, Reno, NV 89557 USA.
[Paredes-Miranda, G.; Arnott, W. P.] Univ Nevada, Desert Res Inst, Reno, NV 89506 USA.
[Molina, L. T.] MIT, Cambridge, MA 02139 USA.
[Sosa, G.] Inst Mexicano Petr, Mexico City 07730, DF, Mexico.
[Querol, X.] CSIC, IDAEA, Barcelona, Spain.
RP Jimenez, JL (reprint author), Univ Colorado, Dept Chem & Biochem, Campus Box 215, Boulder, CO 80309 USA.
EM jose.jimenez@colorado.edu
RI DeCarlo, Peter/B-2118-2008; Prevot, Andre/C-6677-2008; Aiken,
Allison/B-9659-2009; Zhang, Renyi/A-2942-2011; Zheng, Jun/E-6772-2010;
Szidat, Sonke/D-6706-2011; Wang, Jian/G-9344-2011; Querol,
Xavier/E-2800-2014; Laskin, Alexander/I-2574-2012; de Foy,
Benjamin/A-9902-2010; Jimenez, Jose/A-5294-2008; Sosa,
Gustavo/F-3912-2015; Volkamer, Rainer/B-8925-2016
OI DeCarlo, Peter/0000-0001-6385-7149; Prevot, Andre/0000-0002-9243-8194;
Aiken, Allison/0000-0001-5749-7626; Szidat, Sonke/0000-0002-1824-6207;
Querol, Xavier/0000-0002-6549-9899; Laskin,
Alexander/0000-0002-7836-8417; de Foy, Benjamin/0000-0003-4150-9922;
Jimenez, Jose/0000-0001-6203-1847; Sosa, Gustavo/0000-0002-4980-3491;
Volkamer, Rainer/0000-0002-0899-1369
FU NASA [NNG04GR06H, NNG05GQ50H]; NSF [ATM-0528634, ATM-0449815,
ATM-0810950, ATM-0511803, ATM-0511769, ATM-0528227]; DOE
[DE-FG02-05ER63981, DE-FG02-05ER64008]; EPA [RD-83216101-0]; Knut and
Alice Wallenberg Foundation
FX This study was supported by the following funding, NASA: fellowship
NNG04GR06H (ACA), NNG05GQ50H (IMU); NSF: grants ATM-0528634 and
ATM-0449815 (CAREER), ATM-0810950 (BDF), ATM-0511803 (BDF and LTM),
ATM-0511769 (WPA and GPM), ATM-0528227 (LTM); DOE BER-ASP program:
grants DE-FG02-05ER63981 and DE-FG02-05ER64008 (WPA and GPM); EPA STAR
fellowship RD-83216101-0 (PFD), and Knut and Alice Wallenberg Foundation
(JN). Although this research has been partially funded by EPA and NSF,
it has not been subject to Agency Review and thus no official
endorsement should be inferred. We would like to thank Alma Hodzic for
providing the PBL data, and support from and useful discussions with D.
Salcedo, Aerodyne and Tofwerk personnel, J. de Gouw, and the remainder
of the Jimenez Group. We are grateful to E. Vogel and M. Ruff
(University of ~Berne) for their support of the 14C analyses,
N. Perron (PSI) for OC/EC concentration measurements, the CENICA team
for high-volume sampling and T. Gustafsson, J. Petterson (University of
Gothenburg) and K. Gaggeler (PSI) for transfer of filter samples to
Switzerland. PIXE analysis was done at the Environmental Molecular
Sciences Laboratory, a US DOE national user facility located at Pacific
Northwest National Laboratory. Finally, we would like to acknowledge IMP
for hosting T0 supersite and the logistical support from many Mexican
government agencies and institutions which made it possible to carry out
the MCMA-2006/MILAGRO Campaign.
NR 108
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PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 12
BP 5315
EP 5341
DI 10.5194/acp-10-5315-2010
PG 27
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 618YC
UT WOS:000279391100003
ER
PT J
AU Wang, M
Penner, JE
AF Wang, M.
Penner, J. E.
TI Cirrus clouds in a global climate model with a statistical cirrus cloud
scheme
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID MESOSCALE TEMPERATURE-FLUCTUATIONS; COMMUNITY ATMOSPHERE MODEL;
HETEROGENEOUS ICE NUCLEATION; GENERAL-CIRCULATION MODELS; CRYSTAL NUMBER
DENSITIES; MICROWAVE IMAGER SSM/I; IN-SITU OBSERVATIONS; LARGE-SCALE
MODELS; TROPICAL TROPOPAUSE; UPPER TROPOSPHERE
AB A statistical cirrus cloud scheme that accounts for mesoscale temperature perturbations is implemented in a coupled aerosol and atmospheric circulation model to better represent both subgrid-scale supersaturation and cloud formation. This new scheme treats the effects of aerosol on cloud formation and ice freezing in an improved manner, and both homogeneous freezing and heterogeneous freezing are included. The scheme is able to better simulate the observed probability distribution of relative humidity compared to the scheme that was implemented in an older version of the model. Heterogeneous ice nuclei (IN) are shown to decrease the frequency of occurrence of supersaturation, and improve the comparison with observations at 192 hPa. Homogeneous freezing alone can not reproduce observed ice crystal number concentrations at low temperatures (< 205 K), but the addition of heterogeneous IN improves the comparison somewhat. Increases in heterogeneous IN affect both high level cirrus clouds and low level liquid clouds. Increases in cirrus clouds lead to a more cloudy and moist lower troposphere with less precipitation, effects which we associate with the decreased convective activity. The change in the net cloud forcing is not very sensitive to the change in ice crystal concentrations, but the change in the net radiative flux at the top of the atmosphere is still large because of changes in water vapor. Changes in the magnitude of the assumed mesoscale temperature perturbations by 25% alter the ice crystal number concentrations and the net radiative fluxes by an amount that is comparable to that from a factor of 10 change in the heterogeneous IN number concentrations. Further improvements on the representation of mesoscale temperature perturbations, heterogeneous IN and the competition between homogeneous freezing and heterogeneous freezing are needed.
C1 [Wang, M.; Penner, J. E.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA.
[Wang, M.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
RP Wang, M (reprint author), Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA.
EM minghuai.wang@pnl.gov
RI Wang, Minghuai/E-5390-2011; Penner, Joyce/J-1719-2012
OI Wang, Minghuai/0000-0002-9179-228X;
FU NSF [ATM 0333016, ATM 0609836]; US Department of Energy
FX We thank Xiaohong Liu at Pacific Northwest National Laboratory for many
helpful discussions regarding the cirrus cloud treatment in LIU07 and
Yuxing Yun at the University of Michigan for the discussions regarding
the ice nucleation treatment in mixed-phase clouds. We are grateful to
Richard Easter, Steven Ghan and Phil Rash for helpful discussions
regarding advecting cloud fraction in global climate models. We also
would like to thank Bruce Gary, Christopher Hoyle and Stephen Eckermann
for helpful discussions regarding the treatment of mesoscale temperature
perturbations. We are grateful to Peter Spichtinger for his helpful
comments and for providing us the MLS ISSR data, and Martina Kramer for
the observational data used in Fig. 5. Three anonymous reviewers and
Bernd Karcher provided thoughtful and constructive comments, which help
improve the manuscript substantially. This work was funded in part by
NSF projects ATM 0333016 and ATM 0609836. Computer time was provided by
the NCAR CISL facility. Work on this project while the first author was
at Pacific Northwest National Laboratory was supported by the US
Department of Energy's Office of Biological and Environmental Research
as part of the Atmospheric System Research (ASR) Program.
NR 135
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PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 12
BP 5449
EP 5474
DI 10.5194/acp-10-5449-2010
PG 26
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 618YC
UT WOS:000279391100012
ER
PT J
AU Hodzic, A
Jimenez, JL
Madronich, S
Canagaratna, MR
DeCarlo, PF
Kleinman, L
Fast, J
AF Hodzic, A.
Jimenez, J. L.
Madronich, S.
Canagaratna, M. R.
DeCarlo, P. F.
Kleinman, L.
Fast, J.
TI Modeling organic aerosols in a megacity: potential contribution of
semi-volatile and intermediate volatility primary organic compounds to
secondary organic aerosol formation
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID MEXICO-CITY; MASS-SPECTROMETRY; HIGH-RESOLUTION; EMISSIONS; ATMOSPHERE;
EVOLUTION; SIMULATION; COMPONENTS; PARTICLES; OXIDATION
AB It has been established that observed local and regional levels of secondary organic aerosols (SOA) in polluted areas cannot be explained by the oxidation and partitioning of anthropogenic and biogenic VOC precursors, at least using current mechanisms and parameterizations. In this study, the 3-D regional air quality model CHIMERE is applied to estimate the potential contribution to SOA formation of recently identified semi-volatile and intermediate volatility organic precursors (S/IVOC) in and around Mexico City for the MILAGRO field experiment during March 2006. The model has been updated to include explicitly the volatility distribution of primary organic aerosols (POA), their gas-particle partitioning and the gas-phase oxidation of the vapors. Two recently proposed parameterizations, those of Robinson et al. (2007) ("ROB") and Grieshop et al. (2009) ("GRI") are compared and evaluated against surface and aircraft measurements. The 3-D model results are assessed by comparing with the concentrations of OA components from Positive Matrix Factorization of Aerosol Mass Spectrometer (AMS) data, and for the first time also with oxygen-to-carbon ratios derived from high-resolution AMS measurements. The results show a substantial enhancement in predicted SOA concentrations (2-4 times) with respect to the previously published base case without S/IVOCs (Hodzic et al., 2009), both within and downwind of the city leading to much reduced discrepancies with the total OA measurements. Model improvements in OA predictions are associated with the better-captured SOA magnitude and diurnal variability. The predicted production from anthropogenic and biomass burning S/IVOC represents 40-60% of the total measured SOA at the surface during the day and is somewhat larger than that from commonly measured aromatic VOCs, especially at the T1 site at the edge of the city. The SOA production from the continued multi-generation S/IVOC oxidation products continues actively downwind. Similar to aircraft observations, the predicted OA/1 CO ratio for the ROB case increases from 20-30 mu g sm(-3) ppm(-1) up to 60-70 mu g sm(-3) ppm(-1) between a fresh and 1-day aged air mass, while the GRI case produces a 30% higher OA growth than observed. The predicted average O/C ratio of total OA for the ROB case is 0.16 at T0, substantially below observed value of 0.5. A much better agreement for O/C ratios and temporal variability (R-2=0.63) is achieved with the updated GRI treatment. Both treatments show a deficiency in regard to POA ageing with a tendency to over-evaporate POA upon dilution of the urban plume suggesting that atmospheric HOA may be less volatile than assumed in these parameterizations. This study highlights the important potential role of S/IVOC chemistry in the SOA budget in this region, and highlights the need for further improvements in available parameterizations. The agreement observed in this study is not sufficient evidence to conclude that S/IVOC are the major missing SOA source in megacity environments. The model is still very underconstrained, and discrepancies with the total OA measurements. Model improvements in OA predictions are associated with the better-captured SOA magnitude and diurnal variability. The predicted production from anthropogenic and biomass burning S/IVOC represents 40-60% of the total measured SOA at the surface during the day and is somewhat larger than that from commonly measured aromatic VOCs, especially at the T1 site at the edge of the city.
The SOA production from the contined multi-generation S/IVOC oxidation products continues actively downwind. Similar to aircraft observations, the predicted OA/Delta CO ratio for the ROB case increases from 20-30 mu g sm(-3) ppm(-1) up to 60-70 mu g sm(-3) ppm(-1) between a fresh and 1-day aged air mass, while the GRI case produces a 30% higher OA growth than observed. The predicted average O/C ratio of total OA for the ROB case is 0.16 at T0, substantially below observed value of 0.5. A much better agreement for O/C ratios and temporal variability (R-2=0.63) is achieved with the updated GRI treatment. Both treatments show a deficiency in regard to POA ageing with a tendency to over-evaporate POA upon dilution of the urban plume suggesting that atmospheric HOA may be less volatile than assumed in these parameterizations. This study highlights the important potential role of S/IVOC chemistry in the SOA budget in this region, and highlights the need for further improvements in available parameterizations. The agreement observed in this study is not sufficient evidence to conclude that S/IVOC are the major missing SOA source in megacity environments. The model is still very underconstrained, and other possible pathways such as formation from very volatile species like glyoxal may explain some of the mass and especially increase the O/C ratio.
C1 [Hodzic, A.; Madronich, S.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Jimenez, J. L.; DeCarlo, P. F.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Jimenez, J. L.; DeCarlo, P. F.] Univ Colorado, CIRES, Boulder, CO 80309 USA.
[Canagaratna, M. R.] Aerodyne Res Inc, Billerica, MA 01821 USA.
[DeCarlo, P. F.] Univ Colorado, Dept Atmospher & Ocean Sci, Boulder, CO 80309 USA.
[Kleinman, L.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Fast, J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Hodzic, A (reprint author), Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA.
EM alma@ucar.edu
RI Jimenez, Jose/A-5294-2008; DeCarlo, Peter/B-2118-2008; Hodzic,
Alma/C-3629-2009; Madronich, Sasha/D-3284-2015
OI Jimenez, Jose/0000-0001-6203-1847; DeCarlo, Peter/0000-0001-6385-7149;
Madronich, Sasha/0000-0003-0983-1313
FU NSF [ATM-0449815]; NOAA OGP [NA08OAR4310565]; US Department of Energy
[DE-FG02-ER63993]
FX The National Center for Atmospheric Research is operated by the
University Corporation for Atmospheric Research on behalf of the
National Science Foundation. We gratefully acknowledge N. Donahue
(Carnegie Mellon University), A. Robinson (Carnegie Mellon University)
and K. Dzepina (University of Colorado and NCAR) for valuable scientific
discussions on this topic. JLJ was supported by NSF ATM-0449815 and NOAA
OGP NA08OAR4310565. SM was supported in part by the US Department of
Energy's Atmospheric Science Program (Office of Science, BER, Grant No.
DE-FG02-ER63993).
NR 54
TC 138
Z9 139
U1 17
U2 103
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 12
BP 5491
EP 5514
DI 10.5194/acp-10-5491-2010
PG 24
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 618YC
UT WOS:000279391100014
ER
PT J
AU Kulawik, SS
Jones, DBA
Nassar, R
Irion, FW
Worden, JR
Bowman, KW
Machida, T
Matsueda, H
Sawa, Y
Biraud, SC
Fischer, ML
Jacobson, AR
AF Kulawik, S. S.
Jones, D. B. A.
Nassar, R.
Irion, F. W.
Worden, J. R.
Bowman, K. W.
Machida, T.
Matsueda, H.
Sawa, Y.
Biraud, S. C.
Fischer, M. L.
Jacobson, A. R.
TI Characterization of Tropospheric Emission Spectrometer (TES) CO2 for
carbon cycle science
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID ATMOSPHERIC CO2; SATELLITE DATA; ABSOLUTE INTENSITIES; SOURCE
INVERSIONS; WESTERN PACIFIC; LASER BANDS; SPACE; SINKS; DIOXIDE;
(CO2)-C-12-O-16
AB We present carbon dioxide (CO2) estimates from the Tropospheric Emission Spectrometer (TES) on the EOS-Aura satellite launched in 2004. For observations between 40 degrees S and 45 degrees N, we find about 1 degree of freedom with peak sensitivity at 511 hPa. The estimated error is similar to 10 ppm for a single target and 1.3-2.3 ppm for monthly averages on spatial scales of 20 degrees x30 degrees. Monthly spatially-averaged TES data from 2005-2008 processed with a uniform initial guess and prior are compared to CONTRAIL aircraft data over the Pacific ocean, aircraft data at the Southern Great Plains (SGP) ARM site in the southern US, and the Mauna Loa and Samoa surface stations. Comparisons to Mauna Loa data show a correlation of 0.92, a standard deviation of 1.3 ppm, a predicted error of 1.2 ppm, and a similar to 2% low bias, which is subsequently corrected. Comparisons to SGP aircraft data over land show a correlation of 0.67 and a standard deviation of 2.3 ppm. TES data between 40 degrees S and 45 degrees N for 2006-2007 are compared to surface flask data, GLOBALVIEW, the Atmospheric Infrared Sounder (AIRS), and CarbonTracker. Comparison to GLOBALVIEW-CO2 ocean surface sites shows a correlation of 0.60 which drops when TES is offset in latitude, longitude, or time. At these same locations, TES shows a 0.62 and 0.67 correlation to Carbon-Tracker at the surface and 5 km, respectively. We also conducted an observing system simulation experiment to assess the potential utility of the TES data for inverse modeling of CO2 fluxes. We find that if biases in the data and model are well characterized, the averaged data have the potential to provide sufficient information to significantly reduce uncertainty on annual estimates of regional CO2 sources and sinks. Averaged pseudo-data at 10 degrees x10 degrees reduced uncertainty in flux estimates by as much as 70% for some tropical regions.
C1 [Kulawik, S. S.; Irion, F. W.; Worden, J. R.; Bowman, K. W.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA.
[Jones, D. B. A.; Nassar, R.] Univ Toronto, Dept Phys, Toronto, ON, Canada.
[Nassar, R.] Univ Toronto, Dept Geog, Toronto, ON M5S 1A1, Canada.
[Machida, T.; Sawa, Y.] Natl Inst Environm Studies, Tsukuba, Ibaraki 3058506, Japan.
[Matsueda, H.] Meteorol Res Inst, Tsukuba, Ibaraki 3050052, Japan.
[Biraud, S. C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Fischer, M. L.] EO Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA.
[Jacobson, A. R.] NOAA Earth Syst Res Lab, Global Monitoring Div, Boulder, CO USA.
RP Kulawik, SS (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA.
EM susan.kulawik@jpl.nasa.gov
RI Biraud, Sebastien/M-5267-2013; Jones, Dylan/O-2475-2014;
OI Biraud, Sebastien/0000-0001-7697-933X; Jones, Dylan/0000-0002-1935-3725;
Nassar, Ray/0000-0001-6282-1611
FU US Department of Energy, Office of Science, Office of Biological and
Environmental Research, Climate and Environmental Sciences Division;
Natural Sciences and Engineering Research Council (NSERC); National
Aeronautics and Space Administration (NASA)
FX SGP data were obtained from the Atmospheric Radiation Measurement (ARM)
Program sponsored by the US Department of Energy, Office of Science,
Office of Biological and Environmental Research, Climate and
Environmental Sciences Division. Contact: Margaret Torn, Lead
Scientist.; Work at the University of Toronto was funded through grants
from the Natural Sciences and Engineering Research Council (NSERC).;
Work at the Jet Propulsion Laboratory, California Institute of
Technology, was performed under a contract with the National Aeronautics
and Space Administration and funded through the NASA Roses 2007
Atmospheric Composition: Aura Science Team proposal, "Estimation of
CO2 Profiles from the Tropospheric Emission Spectrometer
(TES) and Application to Carbon Dioxide Source and Sink Estimates".
NR 73
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U1 1
U2 16
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 12
BP 5601
EP 5623
DI 10.5194/acp-10-5601-2010
PG 23
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 618YC
UT WOS:000279391100021
ER
PT J
AU Pirrone, N
Cinnirella, S
Feng, X
Finkelman, RB
Friedli, HR
Leaner, J
Mason, R
Mukherjee, AB
Stracher, GB
Streets, DG
Telmer, K
AF Pirrone, N.
Cinnirella, S.
Feng, X.
Finkelman, R. B.
Friedli, H. R.
Leaner, J.
Mason, R.
Mukherjee, A. B.
Stracher, G. B.
Streets, D. G.
Telmer, K.
TI Global mercury emissions to the atmosphere from anthropogenic and
natural sources
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID FIRED POWER-PLANTS; MEDITERRANEAN REGION; VOLCANIC EMISSIONS; COAL
COMBUSTION; FOREST-FIRES; CHINA; DEPOSITION; INVENTORY; CYCLE;
UNCERTAINTIES
AB This paper provides an up-to-date assessment of global mercury emissions from anthropogenic and natural sources. On an annual basis, natural sources account for 5207 Mg of mercury released to the global atmosphere, including the contribution from re-emission processes, which are emissions of previously deposited mercury originating from anthropogenic and natural sources, and primary emissions from natural reservoirs. Anthropogenic sources, which include a large number of industrial point sources, are estimated to account for 2320 Mg of mercury emitted annually. The major contributions are from fossil-fuel fired power plants (810 Mg yr(-1)), artisanal small scale gold mining (400 Mg yr(-1)), non-ferrous metals manufacturing (310 Mg yr(-1)), cement production (236 Mg yr(-1)), waste disposal (187 Mg yr(-1)) and caustic soda production (163 Mg yr(-1)). Therefore, our current estimate of global mercury emissions suggests that the overall contribution from natural sources (primary emissions + re-emissions) and anthropogenic sources is nearly 7527 Mg per year, the uncertainty associated with these estimates are related to the typology of emission sources and source regions.
C1 [Pirrone, N.; Cinnirella, S.] CNR, Inst Atmospher Pollut Res, Div Rende, Arcavacata Di Rende, Italy.
[Feng, X.] Chinese Acad Sci, Inst Geochem, State Key Lab Environm Geochem, Guiyang, Peoples R China.
[Finkelman, R. B.] Univ Texas Dallas, Dallas, TX 75230 USA.
[Friedli, H. R.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Leaner, J.] CSIR, Stellenbosch, South Africa.
[Mason, R.] Univ Connecticut, Dept Marine Sci, Hartford, CT 06112 USA.
[Mukherjee, A. B.] Univ Helsinki, Dept Biol & Environm Sci, Helsinki, Finland.
[Stracher, G. B.] E Georgia Coll, Div Sci & Math, Swainsboro, Rep of Georgia.
[Streets, D. G.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Telmer, K.] Univ Victoria, Sch Earth & Ocean Sci, Victoria, BC, Canada.
RP Pirrone, N (reprint author), CNR, Inst Atmospher Pollut Res, Div Rende, Arcavacata Di Rende, Italy.
EM pirrone@iia.cnr.it
RI Mason, Robert/A-6829-2011; Feng, Xinbin/F-4512-2011;
OI Feng, Xinbin/0000-0002-7462-8998; Streets, David/0000-0002-0223-1350;
CINNIRELLA, SERGIO/0000-0003-3251-5298
NR 92
TC 397
Z9 432
U1 29
U2 276
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 13
BP 5951
EP 5964
DI 10.5194/acp-10-5951-2010
PG 14
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 624VY
UT WOS:000279851400012
ER
PT J
AU Chung, CE
Ramanathan, V
Carmichael, G
Kulkarni, S
Tang, Y
Adhikary, B
Leung, LR
Qian, Y
AF Chung, C. E.
Ramanathan, V.
Carmichael, G.
Kulkarni, S.
Tang, Y.
Adhikary, B.
Leung, L. R.
Qian, Y.
TI Anthropogenic aerosol radiative forcing in Asia derived from regional
models with atmospheric and aerosol data assimilation
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID COMMUNITY CLIMATE MODEL; INDIAN-OCEAN EXPERIMENT; BLACK CARBON;
TROPOSPHERIC AEROSOL; SOLAR ABSORPTION; OPTICAL DEPTH; PART I;
SATELLITE; CLOUDINESS; EMISSIONS
AB An estimate of monthly 3-D aerosol solar heating rates and surface solar fluxes in Asia from 2001 to 2004 is described here. This product stems from an Asian aerosol assimilation project, in which a) the PNNL regional model bounded by the NCEP reanalyses was used to provide meteorology, b) MODIS and AERONET data were integrated for aerosol observations, c) the Iowa aerosol/chemistry model STEM-2K1 used the PNNL meteorology and assimilated aerosol observations, and d) 3-D (X-Y-Z) aerosol simulations from the STEM-2K1 were used in the Scripps Monte-Carlo Aerosol Cloud Radiation (MACR) model to produce total and anthropogenic aerosol direct solar forcing for average cloudy skies. The MACR model and STEM-2K1 both used the PNNL model resolution of 0.45 degrees x 0.4 degrees in the horizontal and of 23 layers in the troposphere. The 2001-2004 averaged anthropogenic all-sky aerosol forcing is -1.3 Wm(-2) (TOA), +7.3 Wm(-2) (atmosphere) and -8.6 Wm(-2) (surface) averaged in Asia (60-138 degrees E and Equator -45 degrees N). In the absence of AERONET SSA assimilation, absorbing aerosol concentration (especially BC aerosol) is much smaller, giving -2.3 Wm(-2) (TOA), +4.5 Wm(-2) (atmosphere) and -6.8 Wm(-2) (surface), averaged in Asia. In the vertical, monthly forcing is mainly concentrated below 600 hPa with maximum around 800 hPa. Seasonally, low-level forcing is far larger in dry season than in wet season in South Asia, whereas the wet season forcing exceeds the dry season forcing in East Asia. The anthropogenic forcing in the present study is similar to that in Chung et al. (2005) in overall magnitude but the former offers fine-scale features and simulated vertical profiles. The interannual variability of the computed anthropogenic forcing is significant and extremely large over major emission outflow areas. Given the interannual variability, the present study's estimate is within the implicated range of the 1999 INDOEX result.
C1 [Chung, C. E.] Gwangju Inst Sci & Technol, Kwangju, South Korea.
[Ramanathan, V.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA.
[Carmichael, G.; Kulkarni, S.; Tang, Y.; Adhikary, B.] Univ Iowa, Iowa City, IA USA.
[Leung, L. R.; Qian, Y.] Pacific NW Natl Lab, Washington, DC USA.
RP Chung, CE (reprint author), Gwangju Inst Sci & Technol, Kwangju, South Korea.
EM eddy@gist.ac.kr
RI qian, yun/E-1845-2011
FU NASA, USA [NNG04GC58G]; US Department of Energy by Battelle Memorial
Institute [DE-AC06-76RLO 1830]; Academy of Finland Center of Excellence
program, Finland [1118615]; Research Agency for Climate Science (RACS),
Korea
FX The present study was initiated when Chung (first author) was at Scripps
Institution of Oceanography, in response to a collaborative NASA project
between Scripps Institution of Oceanography (SIO), Pacific Northwest
National Laboratory (PNNL), and the University of Iowa. The authors are
indebted to Kim and Feng of SIO for their help with literature search.
This work was supported by a NASA grant (NNG04GC58G), USA. The Pacific
Northwest National Laboratory is operated for the US Department of
Energy by Battelle Memorial Institute under Contract DE-AC06-76RLO 1830.
Additional funding in finishing the study came from the Academy of
Finland Center of Excellence program (project number 1118615), Finland,
and Research Agency for Climate Science (RACS 2010-2011), Korea.
NR 67
TC 32
Z9 32
U1 2
U2 16
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 13
BP 6007
EP 6024
DI 10.5194/acp-10-6007-2010
PG 18
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 624VY
UT WOS:000279851400017
ER
PT J
AU Gourdji, SM
Hirsch, AI
Mueller, KL
Yadav, V
Andrews, AE
Michalak, AM
AF Gourdji, S. M.
Hirsch, A. I.
Mueller, K. L.
Yadav, V.
Andrews, A. E.
Michalak, A. M.
TI Regional-scale geostatistical inverse modeling of North American CO2
fluxes: a synthetic data study
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID ATMOSPHERIC TRANSPORT MODELS; CARBON-DIOXIDE; PART 1; EXCHANGE;
VARIABILITY; CONTINENTS; EUROPE; LEARN; SINKS
AB A series of synthetic data experiments is performed to investigate the ability of a regional atmospheric inversion to estimate grid-scale CO2 fluxes during the growing season over North America. The inversions are performed within a geostatistical framework without the use of any prior flux estimates or auxiliary variables, in order to focus on the atmospheric constraint provided by the nine towers collecting continuous, calibrated CO2 measurements in 2004. Using synthetic measurements and their associated concentration footprints, flux and model-data mismatch covariance parameters are first optimized, and then fluxes and their uncertainties are estimated at three different temporal resolutions. These temporal resolutions, which include a four-day average, a four-day-average diurnal cycle with 3-hourly increments, and 3-hourly fluxes, are chosen to help assess the impact of temporal aggregation errors on the estimated fluxes and covariance parameters. Estimating fluxes at a temporal resolution that can adjust the diurnal variability is found to be critical both for recovering covariance parameters directly from the atmospheric data, and for inferring accurate ecoregion-scale fluxes. Accounting for both spatial and temporal a priori covariance in the flux distribution is also found to be necessary for recovering accurate a posteriori uncertainty bounds on the estimated fluxes. Overall, the results suggest that even a fairly sparse network of 9 towers collecting continuous CO2 measurements across the continent, used with no auxiliary information or prior estimates of the flux distribution in time or space, can be used to infer relatively accurate monthly ecoregion scale CO2 surface fluxes over North America within estimated uncertainty bounds. Simulated random transport error is shown to decrease the quality of flux estimates in under-constrained areas at the ecoregion scale, although the uncertainty bounds remain realistic. While these synthetic data inversions do not consider all potential issues associated with using actual measurement data, e.g. systematic transport errors or problems with the boundary conditions, they help to highlight the impact of inversion setup choices, and help to provide a baseline set of CO2 fluxes for comparison with estimates from future real-data inversions.
C1 [Gourdji, S. M.; Mueller, K. L.; Yadav, V.; Michalak, A. M.] Univ Michigan, Dept Civil & Environm Engn, Ann Arbor, MI 48109 USA.
[Hirsch, A. I.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Andrews, A. E.] NOAA, Global Monitoring Div, Earth Syst Res Lab, Boulder, CO 80305 USA.
[Michalak, A. M.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA.
RP Michalak, AM (reprint author), Univ Michigan, Dept Civil & Environm Engn, Ann Arbor, MI 48109 USA.
EM amichala@umich.edu
RI Andrews, Arlyn/K-3427-2012; Yadav, Vineet/A-1313-2014
FU National Aeronautics and Space Administration (NASA) [NNX06AE84G]
FX This work was supported by the National Aeronautics and Space
Administration (NASA) under Grant No. NNX06AE84G "Constraining North
American Fluxes of Carbon Dioxide and Inferring Their Spatiotemporal
Covariances through Assimilation of Remote Sensing and Atmospheric Data
in a Geostatistical Framework" issued through the ROSES A.6 North
American Carbon Program. In addition, Sharon Gourdji received additional
support through a NASA Earth and Space Science Fellowship.
NR 38
TC 28
Z9 28
U1 2
U2 18
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 13
BP 6151
EP 6167
DI 10.5194/acp-10-6151-2010
PG 17
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 624VY
UT WOS:000279851400026
ER
PT J
AU Hand, JL
Day, DE
McMeeking, GM
Levin, EJT
Carrico, CM
Kreidenweis, SM
Malm, WC
Laskin, A
Desyaterik, Y
AF Hand, J. L.
Day, D. E.
McMeeking, G. M.
Levin, E. J. T.
Carrico, C. M.
Kreidenweis, S. M.
Malm, W. C.
Laskin, A.
Desyaterik, Y.
TI Measured and modeled humidification factors of fresh smoke particles
from biomass burning: role of inorganic constituents
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID RESOLUTION MASS-SPECTROMETRY; INDIVIDUAL AEROSOL-PARTICLES;
ORGANIC-CARBON RATIO; OPTICAL-PROPERTIES; SOUTHERN AFRICA; MOLECULAR
CHARACTERIZATION; HYGROSCOPIC PROPERTIES; ELECTRON-MICROSCOPY;
RELATIVE-HUMIDITY; LIGHT-SCATTERING
AB During the 2006 FLAME study (Fire Laboratory at Missoula Experiment), laboratory burns of biomass fuels were performed to investigate the physico-chemical, optical, and hygroscopic properties of fresh biomass smoke. As part of the experiment, two nephelometers simultaneously measured dry and humidified light scattering coefficients (b(sp(dry)) and b(sp(RH)), respectively) in order to explore the role of relative humidity (RH) on the optical properties of biomass smoke aerosols. Results from burns of several biomass fuels from the west and southeast United States showed large variability in the humidification factor (f(RH)=b(sp(RH))/b(sp(dry))). Values of f (RH) at RH=80-85% ranged from 0.99 to 1.81 depending on fuel type. We incorporated measured chemical composition and size distribution data to model the smoke hygroscopic growth to investigate the role of inorganic compounds on water uptake for these aerosols. By assuming only inorganic constituents were hygroscopic, we were able to model the water uptake within experimental uncertainty, suggesting that inorganic species were responsible for most of the hygroscopic growth. In addition, humidification factors at 80-85% RH increased for smoke with increasing inorganic salt to carbon ratios. Particle morphology as observed from scanning electron microscopy revealed that samples of hygroscopic particles contained soot chains either internally or externally mixed with inorganic potassium salts, while samples of weak to non-hygroscopic particles were dominated by soot and organic constituents. This study provides further understanding of the compounds responsible for water uptake by young biomass smoke, and is important for accurately assessing the role of smoke in climate change studies and visibility regulatory efforts.
C1 [Hand, J. L.; Malm, W. C.] Colorado State Univ, Cooperat Inst Res Atmosphere, Natl Pk Serv, Ft Collins, CO 80523 USA.
[McMeeking, G. M.; Levin, E. J. T.; Carrico, C. M.; Kreidenweis, S. M.; Desyaterik, Y.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA.
[Laskin, A.; Desyaterik, Y.] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Hand, JL (reprint author), Colorado State Univ, Cooperat Inst Res Atmosphere, Natl Pk Serv, Ft Collins, CO 80523 USA.
EM hand@cira.colostate.edu
RI McMeeking, Gavin/A-7679-2008; Levin, Ezra/F-5809-2010; Laskin,
Alexander/I-2574-2012; Kreidenweis, Sonia/E-5993-2011
OI McMeeking, Gavin/0000-0001-9782-3713; Laskin,
Alexander/0000-0002-7836-8417; Kreidenweis, Sonia/0000-0002-2561-2914
FU Office of Biological and Environmental Research (OBER), US Department of
Energy; USFS Fire Science Laboratory; Joint Fire Science Program; US
National Park Service
FX We gratefully acknowledge the USFS Fire Science Laboratory staff for
their valuable support and assistance during the study, including Cyle
Wold and Wei Min Hao. We also thank those who collected and provided
fuels for the study. Funding was provided by the Joint Fire Science
Program and the US National Park Service.; The PNNL research group
acknowledges support provided from the Atmospheric Science Program of
the Office of Biological and Environmental Research (OBER), US
Department of Energy. Electron microscopy analyses were performed in the
Environmental Molecular Sciences Laboratory (EMSL), a national
scientific user facility sponsored by the Department of Energy's Office
of Biological and Environmental Research at Pacific Northwest National
Laboratory (PNNL). PNNL is operated by the US Department of Energy by
Battelle Memorial Institute under contract DE-AC06-76RL0 1830.
NR 70
TC 15
Z9 15
U1 2
U2 26
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 13
BP 6179
EP 6194
DI 10.5194/acp-10-6179-2010
PG 16
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 624VY
UT WOS:000279851400028
ER
PT J
AU Lu, Z
Streets, DG
Zhang, Q
Wang, S
Carmichael, GR
Cheng, YF
Wei, C
Chin, M
Diehl, T
Tan, Q
AF Lu, Z.
Streets, D. G.
Zhang, Q.
Wang, S.
Carmichael, G. R.
Cheng, Y. F.
Wei, C.
Chin, M.
Diehl, T.
Tan, Q.
TI Sulfur dioxide emissions in China and sulfur trends in East Asia since
2000
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID OZONE MONITORING INSTRUMENT; MIYAKEJIMA VOLCANO; SO2 EMISSIONS; MT.
TATEYAMA; AIR-QUALITY; ACID-RAIN; JAPAN; TRANSPORT; INVENTORY; AEROSOLS
AB With the rapid development of the economy, the sulfur dioxide (SO2) emission from China since 2000 is of increasing concern. In this study, we estimate the annual SO2 emission in China after 2000 using a technology-based methodology specifically for China. From 2000 to 2006, total SO2 emission in China increased by 53%, from 21.7 Tg to 33.2 Tg, at an annual growth rate of 7.3%. Emissions from power plants are the main sources of SO2 in China and they increased from 10.6 Tg to 18.6 Tg in the same period. Geographically, emission from north China increased by 85%, whereas that from the south increased by only 28%. The emission growth rate slowed around 2005, and emissions began to decrease after 2006 mainly due to the wide application of flue-gas desulfurization (FGD) devices in power plants in response to a new policy of China's government. This paper shows that the trend of estimated SO2 emission in China is consistent with the trends of SO2 concentration and acid rain pH and frequency in China, as well as with the increasing trends of background SO2 and sulfate concentration in East Asia. A longitudinal gradient in the percentage change of urban SO2 concentration in Japan is found during 2000-2007, indicating that the decrease of urban SO2 is lower in areas close to the Asian continent. This implies that the transport of increasing SO2 from the Asian continent partially counteracts the local reduction of SO2 emission downwind. The aerosol optical depth (AOD) products of Moderate Resolution Imaging Spectroradiometer (MODIS) are found to be highly correlated with the surface solar radiation (SSR) measurements in East Asia. Using MODIS AOD data as a surrogate of SSR, we found that China and East Asia excluding Japan underwent a continuous dimming after 2000, which is in line with the dramatic increase in SO2 emission in East Asia. The trends of AOD from both satellite retrievals and model over East Asia are also consistent with the trend of SO2 emission in China, especially during the second half of the year, when sulfur contributes the largest fraction of AOD. The arrested growth in SO2 emissions since 2006 is also reflected in the decreasing trends of SO2 and SO42- concentrations, acid rain pH values and frequencies, and AOD over East Asia.
C1 [Lu, Z.; Streets, D. G.; Wang, S.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA.
[Zhang, Q.] Tsinghua Univ, Ctr Earth Syst Sci, Beijing 100084, Peoples R China.
[Wang, S.] Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China.
[Carmichael, G. R.; Cheng, Y. F.; Wei, C.] Univ Iowa, Ctr Global & Reg Environm Res, Iowa City, IA 52242 USA.
[Chin, M.; Diehl, T.; Tan, Q.] NASA, Goddard Space Flight Ctr, Atmospheres Lab, Greenbelt, MD 20771 USA.
RP Lu, Z (reprint author), Argonne Natl Lab, Decis & Informat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM zlu@anl.gov
RI Cheng, Yafang/F-9362-2010; wei, chao/E-4379-2011; Zhang,
Qiang/D-9034-2012; Lu, Zifeng/F-3266-2012; Chin, Mian/J-8354-2012;
OI Cheng, Yafang/0000-0003-4912-9879; Streets, David/0000-0002-0223-1350
FU NASA's ARCTAS mission [07-ARCTAS07-0023]; NASA; US Department of Energy
[DE-AC02-06CH11357]
FX This work was funded by NASA's ARCTAS mission under proposal No.
07-ARCTAS07-0023. The authors are grateful to Jay Al-Saadi, Jim
Crawford, and Hal Maring of NASA for their support. Argonne National
Laboratory is operated by University of Chicago Argonne, LLC, under
Contract No. DE-AC02-06CH11357 with the US Department of Energy.
NR 82
TC 239
Z9 261
U1 32
U2 171
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 13
BP 6311
EP 6331
DI 10.5194/acp-10-6311-2010
PG 21
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 624VY
UT WOS:000279851400037
ER
PT J
AU Wang, H
Feingold, G
Wood, R
Kazil, J
AF Wang, H.
Feingold, G.
Wood, R.
Kazil, J.
TI Modelling microphysical and meteorological controls on precipitation and
cloud cellular structures in Southeast Pacific stratocumulus
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID LARGE-EDDY SIMULATIONS; NOCTURNAL MARINE STRATOCUMULUS; DIURNAL CYCLE;
SHALLOW CONVECTION; OPEN CELLS; WARM RAIN; PART II; MESOSCALE; DRIZZLE;
AEROSOL
AB Microphysical and meteorological controls on the formation of open and closed cellular structures in the Southeast Pacific are explored using model simulations based on aircraft observations during the VAMOS Ocean-Cloud-Atmosphere-Land Study Regional Experiment (VOCALS-REx). The effectiveness of factors such as boundary-layer moisture and temperature perturbations, surface heat and moisture fluxes, large-scale vertical motion and solar heating in promoting drizzle and open cell formation for prescribed aerosol number concentrations is explored. For the case considered, drizzle and subsequent open cell formation over a broad region are more sensitive to the observed boundary-layer moisture and temperature perturbations (+0.9 g kg(-1); -1 K) than to a five-fold decrease in aerosol number concentration (150 vs. 30 mg(-1)). When embedding the perturbations in closed cells, local drizzle and pockets of open cell (POC) formation respond faster to the aerosol reduction than to the moisture increase, but the latter generates stronger and more persistent drizzle. A local negative perturbation in temperature drives a mesoscale circulation that prevents local drizzle formation but promotes it in a remote area where lower-level horizontal transport of moisture is blocked and converges to enhance liquid water path. This represents a potential mechanism for POC formation in the Southeast Pacific stratocumulus region whereby the circulation is triggered by strong precipitation in adjacent broad regions of open cells. A simulation that attempts to mimic the influence of a coastally induced upsidence wave results in an increase in cloud water but this alone is insufficient to initiate drizzle. An increase of surface sensible heat flux is also effective in triggering local drizzle and POC formation.
Both open and closed cells simulated with observed initial conditions exhibit distinct diurnal variations in cloud properties. A stratocumulus deck that breaks up due solely to solar heating can recover at night. Precipitation in the open-cell cases depletes the aerosol to the extent that cloud formation is significantly suppressed within one diurnal cycle. A replenishment rate of cloud condensation nuclei of order 1 mg(-1) h(-1) is sufficient to maintain clouds and prevent the boundary layer from collapsing the following day, suggesting that some local and/or remote aerosol sources is necessary for POCs to be able to last for days.
C1 [Wang, H.; Feingold, G.; Kazil, J.] NOAA, Earth Syst Res Lab, Boulder, CO USA.
[Wood, R.] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA.
[Wang, H.; Kazil, J.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
RP Wang, H (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM hailong.wang@pnl.gov
RI Wang, Hailong/B-8061-2010; Wood, Robert/A-2989-2008; Kazil,
Jan/B-7652-2013; Feingold, Graham/B-6152-2009; Manager, CSD
Publications/B-2789-2015
OI Wang, Hailong/0000-0002-1994-4402; Wood, Robert/0000-0002-1401-3828;
Kazil, Jan/0000-0003-3271-2451;
FU NOAA's Climate Goal; PNNL
FX This research was supported by NOAA's Climate Goal. HW thanks PNNL for
support in the later stages of this work. The authors thank the team of
scientists, engineers, and support staff for their efforts in making
VOCALS-REx such a success. We thank Rene Garreaud for useful discussion
on upsidence waves. Bjorn Stevens and two anonymous referees are thanked
for their insightful reviews. We thank the NOAA ESRL High Performance
Computing Systems team for computational and technical support.
NR 34
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U1 0
U2 13
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 13
BP 6347
EP 6362
DI 10.5194/acp-10-6347-2010
PG 16
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 624VY
UT WOS:000279851400040
ER
PT J
AU Chakrabarty, RK
Moosmuller, H
Chen, LWA
Lewis, K
Arnott, WP
Mazzoleni, C
Dubey, MK
Wold, CE
Hao, WM
Kreidenweis, SM
AF Chakrabarty, R. K.
Moosmueller, H.
Chen, L. -W. A.
Lewis, K.
Arnott, W. P.
Mazzoleni, C.
Dubey, M. K.
Wold, C. E.
Hao, W. M.
Kreidenweis, S. M.
TI Brown carbon in tar balls from smoldering biomass combustion
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID LOW-PRESSURE IMPACTOR; OPTICAL-PROPERTIES; LIGHT-ABSORPTION; SUBSTANCES
HULIS; REFRACTIVE-INDEX; AEROSOLS; SPECTROMETER; PARTICLES; EMISSIONS;
FOREST
AB We report the direct observation of laboratory production of spherical, carbonaceous particles - "tar balls" - from smoldering combustion of two commonly occurring dry mid-latitude fuels. Real-time measurements of spectrally varying absorption Angstrom coefficients (AAC) indicate that a class of light absorbing organic carbon (OC) with wavelength dependent imaginary part of its refractive index - optically defined as "brown carbon" - is an important component of tar balls. The spectrum of the imaginary parts of their complex refractive indices can be described with a Lorentzian-like model with an effective resonance wavelength in the ultraviolet (UV) spectral region. Sensitivity calculations for aerosols containing traditional OC (no absorption at visible and UV wavelengths) and brown carbon suggest that accounting for near-UV absorption by brown carbon leads to an increase in aerosol radiative forcing efficiency and increased light absorption. Since particles from smoldering combustion account for nearly three-fourths of the total carbonaceous aerosol mass emitted globally, inclusion of the optical properties of tar balls into radiative forcing models has significance for the Earth's radiation budget, optical remote sensing, and understanding of anomalous UV absorption in the troposphere.
C1 [Chakrabarty, R. K.; Moosmueller, H.; Chen, L. -W. A.] Desert Res Inst, Div Atmospher Sci, Reno, NV 89512 USA.
[Lewis, K.; Arnott, W. P.] Univ Nevada, Dept Phys, Reno, NV 89557 USA.
[Mazzoleni, C.] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA.
[Mazzoleni, C.; Dubey, M. K.] Los Alamos Natl Lab, Geochem & Climate Focus Team, Los Alamos, NM 87547 USA.
[Wold, C. E.; Hao, W. M.] USDA, Fire Sci Lab, US Forest Serv, Missoula, MT 59808 USA.
[Kreidenweis, S. M.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA.
RP Chakrabarty, RK (reprint author), Desert Res Inst, Div Atmospher Sci, Reno, NV 89512 USA.
EM rajan.chakrabarty@dri.edu
RI Mazzoleni, Claudio/E-5615-2011; Moosmuller, Hans/F-8250-2011; Dubey,
Manvendra/E-3949-2010; Chen, Lung-Wen/J-5792-2015; Kreidenweis,
Sonia/E-5993-2011;
OI Dubey, Manvendra/0000-0002-3492-790X; Chen,
Lung-Wen/0000-0002-2311-7506; Kreidenweis, Sonia/0000-0002-2561-2914;
Moosmuller, Hans/0000-0002-1021-8877
FU US land management agencies; US Department of Energy; National Science
Foundation
FX It is a pleasure to thank J. L. Collett Jr., and W. M. Malm for
organizing the combustion study at the FSL, R. Kreidberg for providing
help in editing the manuscript, and the FSL staff and other participants
for technical assistance and discussions. This work was supported in
part by the Joint Fire Science Program of the US land management
agencies and the US Department of Energy Atmospheric Science Program.
Instrument development was supported by the National Science Foundation
Major Research Instrumentation program.
NR 50
TC 116
Z9 120
U1 9
U2 69
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 13
BP 6363
EP 6370
DI 10.5194/acp-10-6363-2010
PG 8
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 624VY
UT WOS:000279851400041
ER
PT J
AU Zhang, K
Wan, H
Wang, B
Zhang, M
Feichter, J
Liu, X
AF Zhang, K.
Wan, H.
Wang, B.
Zhang, M.
Feichter, J.
Liu, X.
TI Tropospheric aerosol size distributions simulated by three online global
aerosol models using the M7 microphysics module
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID GENERAL-CIRCULATION MODEL; COMMUNITY CLIMATE MODEL; DRY DEPOSITION
PARAMETERIZATION; SEMI-LAGRANGIAN TRANSPORT; SEA-SALT AEROSOL;
3-DIMENSIONAL MODEL; CUMULUS CONVECTION; CLOUD MICROPHYSICS; ATMOSPHERIC
MODELS; NUCLEATION RATES
AB Tropospheric aerosol size distributions are simulated by three online global models which employ exactly the same aerosol microphysics module, but differ in many aspects such as model meteorology, natural aerosol emission, sulfur chemistry, and deposition processes. The main purpose of this study is to identify the influence of these differences on the aerosol simulation. Number concentrations of different aerosol size ranges are compared among the three models and against observations. Overall all three models are able to capture the basic features of the observed spatial distribution. The magnitude of number concentration is consistent among the three models in all size ranges, although quantitative differences are also clearly detectable. For the soluble and insoluble coarse and accumulation modes, intermodel discrepancies result primarily from the different parameterization schemes for sea salt and dust emission, and are also linked to the different strengths of the convective transport in the meteorological models. As for the nucleation mode and the soluble Aitken mode, the spread of model results appear largest in the tropics and in the middle and upper troposphere. Diagnostics and sensitivity experiments suggest that this large spread is directly related to the sulfur cycle in the models, which is strongly affected by the choice of sulfur chemistry scheme, its coupling with the convective transport and wet deposition calculation, and the related meteorological fields such as cloud cover, cloud water content, and precipitation. Aerosol size distributions simulated by the three models are compared against observations in the boundary layer. The characteristic shape and magnitude of the distribution functions are reasonably reproduced in typical conditions of clean, polluted and transition areas.
C1 [Zhang, K.; Wang, B.] Chinese Acad Sci, Inst Atmospher Phys, LASG, Beijing, Peoples R China.
[Zhang, K.; Wan, H.; Feichter, J.] Max Planck Inst Meteorol, Hamburg, Germany.
[Zhang, M.] Chinese Acad Sci, Inst Atmospher Phys, LAPC, Beijing, Peoples R China.
[Liu, X.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Zhang, K (reprint author), Chinese Acad Sci, Inst Atmospher Phys, LASG, Beijing, Peoples R China.
EM kai.zhang@zmaw.de
RI Wang, Bin/D-9724-2012; Wang, ZF/D-7202-2012; Wan, Hui/J-4701-2013; Liu,
Xiaohong/E-9304-2011; Wang, Bin/P-9121-2014; Zhang, Kai/F-8415-2010
OI Wang, Bin/0000-0002-3133-7197; Wang, ZF/0000-0002-7062-6012; Liu,
Xiaohong/0000-0002-3994-5955; Wang, Bin/0000-0001-7374-3786; Zhang,
Kai/0000-0003-0457-6368
FU Fund for Innovative Research Groups [40821092]; 973 Project
[2005CB321703]; US Department of Energy, Office of Science, Scientific
Discovery; DOE [DE-AC06-76RLO 1830]; IMPRS-ESM; Max Planck Society;
Chinese Academy of Sciences
FX The authors are grateful to S. Kinne, P. Stier, Y. Peng, and B. Stevens
for their suggestions and constructive criticisms. We also would like to
thank both of the two anonymous reviewers for their helpful comments. We
acknowledge the Fund for Innovative Research Groups Grant 40821092 and
the financial support from the 973 Project Grant 2005CB321703. XL was
funded by the US Department of Energy, Office of Science, Scientific
Discovery through Advanced Computing (SciDAC) program. The Pacific
Northwest National Laboratory is operated for the DOE by Battelle
Memorial Institute under contract DE-AC06-76RLO 1830. KZ was partially
supported by the exchange program of the IMPRS-ESM and the PhD Student
Promotion Project of the Max Planck Society and the Chinese Academy of
Sciences.
NR 77
TC 13
Z9 13
U1 0
U2 8
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 13
BP 6409
EP 6434
DI 10.5194/acp-10-6409-2010
PG 26
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 624VY
UT WOS:000279851400044
ER
PT J
AU Huang, D
Gasiewski, AJ
Wiscombe, W
AF Huang, D.
Gasiewski, A. J.
Wiscombe, W.
TI Tomographic retrieval of cloud liquid water fields from a single
scanning microwave radiometer aboard a moving platform - Part 1: Field
trial results from the Wakasa Bay experiment
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID TOTAL-VARIATION MINIMIZATION; RECONSTRUCTION; PRECIPITATION; SURFACE;
VAPOR; ART
AB Tomographic methods offer great potential for retrieving three-dimensional spatial distributions of cloud liquid water from radiometric observations by passive microwave sensors. Fixed tomographic systems require multiple radiometers, while mobile systems can use just a single radiometer. Part 1 (this paper) examines the results from a limited cloud tomography trial with a single-radiometer airborne system carried out as part of the 2003 AMSR-E validation campaign over Wakasa Bay of the Sea of Japan. During this trial, the Polarimetric Scanning Radiometer (PSR) and Microwave Imaging Radiometer (MIR) aboard the NASA P-3 research aircraft provided a useful dataset for testing the cloud tomography method over a system of low-level clouds. We do tomographic retrievals with a constrained inversion algorithm using three configurations: PSR, MIR, and combined PSR and MIR data. The liquid water paths from the PSR retrieval are consistent with those from the MIR retrieval. The retrieved cloud field based on the combined data appears to be physically plausible and consistent with the cloud image obtained by a cloud radar. We find that some vertically-uniform clouds appear at high altitudes in the retrieved field where the radar shows clear sky. This is likely due to the sub-optimal data collection strategy. This sets the stage for Part 2 of this study that aims to define optimal data collection strategies using observation system simulation experiments.
C1 [Huang, D.; Wiscombe, W.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Gasiewski, A. J.] Univ Colorado, Boulder, CO 80309 USA.
[Wiscombe, W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA.
RP Huang, D (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM dhuang@bnl.gov
RI Wiscombe, Warren/D-4665-2012; Huang, Dong/H-7318-2014
OI Wiscombe, Warren/0000-0001-6844-9849; Huang, Dong/0000-0001-9715-6922
NR 29
TC 3
Z9 3
U1 2
U2 7
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 14
BP 6685
EP 6697
DI 10.5194/acp-10-6685-2010
PG 13
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 633PL
UT WOS:000280515600019
ER
PT J
AU Huang, D
Gasiewski, A
Wiscombe, W
AF Huang, D.
Gasiewski, A.
Wiscombe, W.
TI Tomographic retrieval of cloud liquid water fields from a single
scanning microwave radiometer aboard a moving platform - Part 2:
Observation system simulation experiments
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID MODEL; RADAR
AB Part 1 of this research concluded that many conditions of the 2003 Wakasa Bay experiment were not optimal for the purpose of tomographic retrieval. Part 2 (this paper) then aims to find possible improvements to the mobile cloud tomography method using observation system simulation experiments. We demonstrate that the incorporation of the L(1) norm total variation regularization in the tomographic retrieval algorithm better reproduces discontinuous structures than the widely used L(2) norm Tikhonov regularization. The simulation experiments reveal that a typical ground-based mobile setup substantially outperforms an airborne one because the ground-based setup usually moves slower and has greater contrast in microwave brightness between clouds and the background. It is shown that, as expected, the error in the cloud tomography retrievals increases monotonically with both the radiometer noise level and the uncertainty in the estimate of background brightness temperature. It is also revealed that a lower speed of platform motion or a faster scanning radiometer results in more scan cycles and more overlap between the swaths of successive scan cycles, both of which help to improve the retrieval accuracy. The last factor examined is aircraft height. It is found that the optimal aircraft height is 0.5 to 1.0 km above the cloud top. To summarize, this research demonstrates the feasibility of tomographically retrieving the spatial structure of cloud liquid water using current microwave radiometric technology and provides several general guidelines to improve future field-based studies of cloud tomography.
C1 [Huang, D.; Wiscombe, W.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Gasiewski, A.] Univ Colorado, Boulder, CO 80309 USA.
[Wiscombe, W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA.
RP Huang, D (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM dhuang@bnl.gov
RI Wiscombe, Warren/D-4665-2012; Huang, Dong/H-7318-2014
OI Wiscombe, Warren/0000-0001-6844-9849; Huang, Dong/0000-0001-9715-6922
NR 27
TC 2
Z9 2
U1 3
U2 5
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 14
BP 6699
EP 6709
DI 10.5194/acp-10-6699-2010
PG 11
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 633PL
UT WOS:000280515600020
ER
PT J
AU Qian, Y
Gustafson, WI
Fast, JD
AF Qian, Y.
Gustafson, W. I., Jr.
Fast, J. D.
TI An investigation of the sub-grid variability of trace gases and aerosols
for global climate modeling
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID HETEROGENEOUS LAND SURFACES; SECONDARY ORGANIC AEROSOLS; MEXICO-CITY
BASIN; WRF-CHEM MODEL; AIR-QUALITY; MCMA-2003 CAMPAIGN; FIELD CAMPAIGN;
NORTH-AMERICA; CLOUD; PARAMETERIZATION
AB One fundamental property and limitation of grid based models is their inability to identify spatial details smaller than the grid cell size. While decades of work have gone into developing sub-grid treatments for clouds and land surface processes in climate models, the quantitative understanding of sub-grid processes and variability for aerosols and their precursors is much poorer. In this study, WRF-Chem is used to simulate the trace gases and aerosols over central Mexico during the 2006 MILAGRO field campaign, with multiple spatial resolutions and emission/terrain scenarios. Our analysis focuses on quantifying the sub-grid variability (SGV) of trace gases and aerosols within a typical global climate model grid cell, i.e. 75x75 km(2).
Our results suggest that a simulation with 3-km horizontal grid spacing adequately reproduces the overall transport and mixing of trace gases and aerosols downwind of Mexico City, while 75-km horizontal grid spacing is insufficient to represent local emission and terrain-induced flows along the mountain ridge, subsequently affecting the transport and mixing of plumes from nearby sources. Therefore, the coarse model grid cell average may not correctly represent aerosol properties measured over polluted areas. Probability density functions (PDFs) for trace gases and aerosols show that secondary trace gases and aerosols, such as O-3, sulfate, ammonium, and nitrate, are more likely to have a relatively uniform probability distribution (i.e. smaller SGV) over a narrow range of concentration values. Mostly inert and long-lived trace gases and aerosols, such as CO and BC, are more likely to have broad and skewed distributions (i.e. larger SGV) over polluted regions. Over remote areas, all trace gases and aerosols are more uniformly distributed compared to polluted areas. Both CO and O-3 SGV vertical profiles are nearly constant within the PBL during daytime, indicating that trace gases are very efficiently transported and mixed vertically by turbulence. But, simulated horizontal variability indicates that trace gases and aerosols are not well mixed horizontally in the PBL. During nighttime the SGV for trace gases is maximum at the surface, and quickly decreases with height. Unlike the trace gases, the SGV of BC and secondary aerosols reaches a maximum at the PBL top during the day. The SGV decreases with distance away from the polluted urban area, has a more rapid decrease for long-lived trace gases and aerosols than for secondary ones, and is greater during daytime than nighttime.
The SGV of trace gases and aerosols is generally larger than for meteorological quantities. Emissions can account for up to 50% of the SGV over urban areas such as Mexico City during daytime for less-reactive trace gases and aerosols, such as CO and BC. The impact of emission spatial variability on SGV decays with altitude in the PBL and is insignificant in the free troposphere. The emission variability affects SGV more significantly during daytime (rather than nighttime) and over urban (rather than rural or remote) areas. The terrain, through its impact on meteorological fields such as wind and the PBL structure, affects dispersion and transport of trace gases and aerosols and their SGV.
C1 [Qian, Y.; Gustafson, W. I., Jr.; Fast, J. D.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Washington, DC USA.
RP Qian, Y (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Washington, DC USA.
EM yun.qian@pnl.gov
RI Gustafson, William/A-7732-2008; qian, yun/E-1845-2011
OI Gustafson, William/0000-0001-9927-1393;
NR 58
TC 25
Z9 26
U1 0
U2 21
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 14
BP 6917
EP 6946
DI 10.5194/acp-10-6917-2010
PG 30
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 633PL
UT WOS:000280515600036
ER
PT J
AU Huang, M
Carmichael, GR
Adhikary, B
Spak, SN
Kulkarni, S
Cheng, YF
Wei, C
Tang, Y
Parrish, DD
Oltmans, SJ
D'Allura, A
Kaduwela, A
Cai, C
Weinheimer, AJ
Wong, M
Pierce, RB
Al-Saadi, JA
Streets, DG
Zhang, Q
AF Huang, M.
Carmichael, G. R.
Adhikary, B.
Spak, S. N.
Kulkarni, S.
Cheng, Y. F.
Wei, C.
Tang, Y.
Parrish, D. D.
Oltmans, S. J.
D'Allura, A.
Kaduwela, A.
Cai, C.
Weinheimer, A. J.
Wong, M.
Pierce, R. B.
Al-Saadi, J. A.
Streets, D. G.
Zhang, Q.
TI Impacts of transported background ozone on California air quality during
the ARCTAS-CARB period - a multi-scale modeling study
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID NORTH-AMERICA; UNITED-STATES; WEST-COAST; VARIABILITY; TROPOSPHERE;
AEROSOL; MISSION; SYSTEM; MODIS
AB Multi-scale tracer and full-chemistry simulations with the STEM atmospheric chemistry model are used to analyze the effects of transported background ozone (O-3) from the eastern Pacific on California air quality during the ARCTAS-CARB experiment conducted in June, 2008. Previous work has focused on the importance of long-range transport of O-3 to North America air quality in springtime. However during this summer experiment the long-range transport of O-3 is also shown to be important. Simulated and observed O-3 transport patterns from the coast to inland northern California are shown to vary based on meteorological conditions and the O-3 profiles over the oceans, which are strongly episodically affected by Asian inflows. Analysis of the correlations of O-3 at various altitudes above the coastal site at Trinidad Head and at a downwind surface site in northern California, show that under long-range transport events, high O-3 air-masses (O-3>60 ppb) at altitudes between about 2 and 4 km can be transported inland and can significantly influence surface O-3 20-30 h later. These results show the importance of characterizing the vertical structure of the lateral boundary conditions (LBC) needed in air quality simulations. The importance of the LBC on O-3 prediction during this period is further studied through a series of sensitivity studies using different forms of LBC. It is shown that the use of the LBC downscaled from RAQMS global model that assimilated MLS and OMI data improves the model performance. We also show that the predictions can be further improved through the use of LBC based on NASA DC-8 airborne observations during the ARCTAS-CARB experiment. These results indicate the need to develop observational strategies to provide information on the three-dimensional nature of pollutant distributions, in order to improve our capability to predict pollution levels and to better quantify the influence of these Asian inflows on the US west coast air quality.
C1 [Huang, M.; Carmichael, G. R.; Adhikary, B.; Spak, S. N.; Kulkarni, S.; Cheng, Y. F.; Wei, C.] Univ Iowa, Ctr Global & Reg Environm Res, Iowa City, IA 52242 USA.
[Adhikary, B.] Kathmandu Univ, Dhulikhel, Nepal.
[Tang, Y.] NOAA, W NP2, EMC, NCEP, Camp Springs, MD USA.
[Parrish, D. D.; Oltmans, S. J.] NOAA, ESRL, Boulder, CO USA.
[D'Allura, A.] ARIANET Srl, Milan, Italy.
[Kaduwela, A.; Cai, C.] Calif Air Resource Board, Sacramento, CA USA.
[Weinheimer, A. J.] NCAR, Boulder, CO USA.
[Wong, M.] Univ Maryland, Dept Geog, College Pk, MD 20742 USA.
[Pierce, R. B.] NOAA, NESDIS, Madison, WI USA.
[Al-Saadi, J. A.] NASA, Langley Res Ctr, Hampton, VA 23665 USA.
[Streets, D. G.; Zhang, Q.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Huang, M (reprint author), Univ Iowa, Ctr Global & Reg Environm Res, Iowa City, IA 52242 USA.
EM mhuang1@engineering.uiowa.edu
RI Cheng, Yafang/F-9362-2010; Parrish, David/E-8957-2010; wei,
chao/E-4379-2011; Pierce, Robert Bradley/F-5609-2010; Spak,
Scott/B-7331-2008; Zhang, Qiang/D-9034-2012; Manager, CSD
Publications/B-2789-2015;
OI Cheng, Yafang/0000-0003-4912-9879; Parrish, David/0000-0001-6312-2724;
Pierce, Robert Bradley/0000-0002-2767-1643; Spak,
Scott/0000-0002-8545-1411; Streets, David/0000-0002-0223-1350; Kaduwela,
Ajith/0000-0002-7236-2698
NR 47
TC 39
Z9 39
U1 0
U2 18
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 14
BP 6947
EP 6968
DI 10.5194/acp-10-6947-2010
PG 22
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 633PL
UT WOS:000280515600037
ER
PT J
AU Lamarque, JF
Bond, TC
Eyring, V
Granier, C
Heil, A
Klimont, Z
Lee, D
Liousse, C
Mieville, A
Owen, B
Schultz, MG
Shindell, D
Smith, SJ
Stehfest, E
Van Aardenne, J
Cooper, OR
Kainuma, M
Mahowald, N
McConnell, JR
Naik, V
Riahi, K
van Vuuren, DP
AF Lamarque, J. -F.
Bond, T. C.
Eyring, V.
Granier, C.
Heil, A.
Klimont, Z.
Lee, D.
Liousse, C.
Mieville, A.
Owen, B.
Schultz, M. G.
Shindell, D.
Smith, S. J.
Stehfest, E.
Van Aardenne, J.
Cooper, O. R.
Kainuma, M.
Mahowald, N.
McConnell, J. R.
Naik, V.
Riahi, K.
van Vuuren, D. P.
TI Historical (1850-2000) gridded anthropogenic and biomass burning
emissions of reactive gases and aerosols: methodology and application
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID CARBONACEOUS PARTICLES; DIOXIDE EMISSIONS; ATLANTIC-OCEAN; GLOBAL-MODEL;
TRACE GASES; FOSSIL-FUEL; OZONE; CLIMATE; INVENTORY; SCENARIOS
AB We present and discuss a new dataset of gridded emissions covering the historical period (1850-2000) in decadal increments at a horizontal resolution of 0.5 degrees in latitude and longitude. The primary purpose of this inventory is to provide consistent gridded emissions of reactive gases and aerosols for use in chemistry model simulations needed by climate models for the Climate Model Intercomparison Program #5 (CMIP5) in support of the Intergovernmental Panel on Climate Change (IPCC) Fifth Assessment report (AR5). Our best estimate for the year 2000 inventory represents a combination of existing regional and global inventories to capture the best information available at this point; 40 regions and 12 sectors are used to combine the various sources. The historical reconstruction of each emitted compound, for each region and sector, is then forced to agree with our 2000 estimate, ensuring continuity between past and 2000 emissions. Simulations from two chemistry-climate models are used to test the ability of the emission dataset described here to capture long-term changes in atmospheric ozone, carbon monoxide and aerosol distributions. The simulated long-term change in the Northern mid-latitudes surface and mid-troposphere ozone is not quite as rapid as observed. However, stations outside this latitude band show much better agreement in both present-day and long-term trend. The model simulations indicate that the concentration of carbon monoxide is underestimated at the Mace Head station; however, the long-term trend over the limited observational period seems to be reasonably well captured. The simulated sulfate and black carbon deposition over Greenland is in very good agreement with the ice-core observations spanning the simulation period. Finally, aerosol optical depth and additional aerosol diagnostics are shown to be in good agreement with previously published estimates and observations.
C1 [Lamarque, J. -F.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Bond, T. C.] Univ Illinois, Urbana, IL 61801 USA.
[Eyring, V.] Deutsch Zentrum Luft & Raumfahrt DLR, Inst Phys Atmosphare, Oberpfaffenhoffen, Germany.
[Granier, C.] NOAA, Earth Syst Res Lab, Div Chem Sci, Boulder, CO USA.
[Granier, C.; Cooper, O. R.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Granier, C.; Mieville, A.] Univ Paris 06, CNRS, UPMC, INSU,LATMOS IPSL,UMR 8190, Paris, France.
[Heil, A.; Schultz, M. G.] Forschungszentrum Julich, D-52425 Julich, Germany.
[Klimont, Z.; Riahi, K.] Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria.
[Lee, D.; Owen, B.] Manchester Metropolitan Univ, Manchester M15 6BH, Lancs, England.
[Liousse, C.] Lab Aerol, Toulouse, France.
[Shindell, D.] Natl Aeronaut & Space Agcy, Goddard Inst Space Studies, New York, NY USA.
[Smith, S. J.] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD USA.
[Stehfest, E.; van Vuuren, D. P.] Netherlands Environm Assessment Agcy, Bilthoven, Netherlands.
[Van Aardenne, J.] Commiss European Communities, Joint Res Ctr, DG, I-21020 Ispra, Italy.
[Kainuma, M.] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan.
[Mahowald, N.] Cornell Univ, Ithaca, NY USA.
[McConnell, J. R.] Univ Nevada, Desert Res Inst, Reno, NV 89506 USA.
[Naik, V.] NOAA, High Performance Technol Inc, Geophys Fluid Dynam Lab, Princeton, NJ USA.
RP Lamarque, JF (reprint author), Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA.
EM lamar@ucar.edu
RI Eyring, Veronika/O-9999-2016; Manager, CSD Publications/B-2789-2015;
Granier, Claire/D-5360-2013; Cooper, Owen/H-4875-2013; Naik,
Vaishali/A-4938-2013; Lamarque, Jean-Francois/L-2313-2014; van Vuuren,
Detlef/A-4764-2009; Klimont, Zbigniew/P-7641-2015; Riahi,
Keywan/B-6426-2011; Shindell, Drew/D-4636-2012; Schultz,
Martin/I-9512-2012; Heil, Angelika/J-7182-2012; Bond, Tami/A-1317-2013;
Pfister, Gabriele/A-9349-2008; Mahowald, Natalie/D-8388-2013
OI Eyring, Veronika/0000-0002-6887-4885; Granier,
Claire/0000-0001-7344-7995; Naik, Vaishali/0000-0002-2254-1700;
Lamarque, Jean-Francois/0000-0002-4225-5074; van Vuuren,
Detlef/0000-0003-0398-2831; Klimont, Zbigniew/0000-0003-2630-198X;
Riahi, Keywan/0000-0001-7193-3498; Schultz, Martin/0000-0003-3455-774X;
Heil, Angelika/0000-0002-8768-5027; Bond, Tami/0000-0001-5968-8928;
Mahowald, Natalie/0000-0002-2873-997X
FU ACCENT European Network; EU; European Union; National Science Foundation
FX The authors would like to thank the ACCENT European Network, which
provided funding for meetings to develop the emissions dataset. Suvi
Monni, Lorenzo Orlandini and Valerio Pagliari are acknowledged for
providing support in the gridding of emissions and making available
official reported data from EMEP and UNFCCC inventories. O. Buhaug and
J. Corbett provided helpful comments on ship emissions. Z. K. would like
to acknowledge the support received from the European Integrated project
on Aerosol Cloud Climate and Air Quality Interactions (EUCAARI), a
project within EU's Sixth Framework Program. A. H. acknowledges funding
from the European Union's CITYZEN project. Surface data was obtained
from the World Data Centre for Greenhouse gases, maintained by the Japan
Meteorological Agency in cooperation with the World Meteorological
Organization. We would like to thank D. Parrish and H.-E. Scheel for
providing access to their ozone datasets. AERONET data was kindly made
available by the AERONET investigators and used for this study. The
National Center for Atmospheric Research is operated by the University
Corporation for Atmospheric Research under sponsorship of the National
Science Foundation. Any opinions, findings and conclusions or
recommendations expressed in the publication are those of the author(s)
and do not necessarily reflect the views of the National Science
Foundation.
NR 122
TC 719
Z9 736
U1 34
U2 274
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 15
BP 7017
EP 7039
DI 10.5194/acp-10-7017-2010
PG 23
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 637VV
UT WOS:000280847700002
ER
PT J
AU Voss, PB
Zaveri, RA
Flocke, FM
Mao, H
Hartley, TP
DeAmicis, P
Deonandan, I
Contreras-Jimenez, G
Martinez-Antonio, O
Estrada, MF
Greenberg, D
Campos, TL
Weinheimer, AJ
Knapp, DJ
Montzka, DD
Crounse, JD
Wennberg, PO
Apel, E
Madronich, S
de Foy, B
AF Voss, P. B.
Zaveri, R. A.
Flocke, F. M.
Mao, H.
Hartley, T. P.
DeAmicis, P.
Deonandan, I.
Contreras-Jimenez, G.
Martinez-Antonio, O.
Figueroa Estrada, M.
Greenberg, D.
Campos, T. L.
Weinheimer, A. J.
Knapp, D. J.
Montzka, D. D.
Crounse, J. D.
Wennberg, P. O.
Apel, E.
Madronich, S.
de Foy, B.
TI Long-range pollution transport during the MILAGRO-2006 campaign: a case
study of a major Mexico City outflow event using free-floating
altitude-controlled balloons
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID AIR-MASS TRACKING; FIELD CAMPAIGN; UNITED-STATES; BASIN; CARBON;
EVOLUTION; CLIMATE; OZONE; TRAJECTORIES; ABSORPTION
AB One of the major objectives of the Megacities Initiative: Local And Global Research Observations (MILAGRO-2006) campaign was to investigate the long-range transport of polluted Mexico City Metropolitan Area (MCMA) outflow and determine its downwind impacts on air quality and climate. Six research aircraft, including the National Center for Atmospheric Research (NCAR) C-130, made extensive chemical, aerosol, and radiation measurements above MCMA and more than 1000 km downwind in order to characterize the evolution of the outflow as it aged and dispersed over the Mesa Alta, Sierra Madre Oriental, Coastal Plain, and Gulf of Mexico. As part of this effort, free-floating Controlled-Meteorological (CMET) balloons, commanded to change altitude via satellite, made repeated profile measurements of winds and state variables within the advecting outflow. In this paper, we present an analysis of the data from two CMET balloons that were launched near Mexico City on the afternoon of 18 March 2006 and floated downwind with the MCMA pollution for nearly 30 h. The repeating profile measurements show the evolving structure of the outflow in considerable detail: its stability and stratification, interaction with other air masses, mixing episodes, and dispersion into the regional background. Air parcel trajectories, computed directly from the balloon wind profiles, show three transport pathways on 18-19 March: (a) high-altitude advection of the top of the MCMA mixed layer, (b) mid-level outflow over the Sierra Madre Oriental followed by decoupling and isolated transport over the Gulf of Mexico, and (c) low-level outflow with entrainment into a cleaner northwesterly jet above the Coastal Plain. The C-130 aircraft intercepted the balloon-based trajectories three times on 19 March, once along each of these pathways; in all three cases, peaks in urban tracer concentrations and LI-DAR backscatter are consistent with MCMA pollution. In comparison with the transport models used in the campaign, the balloon-based trajectories appear to shear the outflow far more uniformly and decouple it from the surface, thus forming a thin but expansive polluted layer over the Gulf of Mexico that is well aligned with the aircraft observations. These results provide critical context for the extensive aircraft measurements made during the 18-19 March MCMA outflow event and may have broader implications for modelling and understanding long-range transport.
C1 [Voss, P. B.; Hartley, T. P.; DeAmicis, P.; Deonandan, I.] Smith Coll, Picker Engn Program, Northampton, MA 01063 USA.
[Zaveri, R. A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Flocke, F. M.; Campos, T. L.; Weinheimer, A. J.; Knapp, D. J.; Montzka, D. D.; Apel, E.; Madronich, S.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Mao, H.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA.
[Contreras-Jimenez, G.; Martinez-Antonio, O.] Univ Autonoma Estado Morelos, Ctr Invest Quim, Cuernavaca, Morelos, Mexico.
[Figueroa Estrada, M.] Inst Nacl Ecol, Mexico City, DF, Mexico.
[Greenberg, D.] Mohawk Trail Reg Sch Dist, Shelburne Falls, MA USA.
[Crounse, J. D.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA.
[Wennberg, P. O.] CALTECH, Div Engn & Appl Sci, Pasadena, CA 91125 USA.
[Wennberg, P. O.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA.
[de Foy, B.] St Louis Univ, Dept Earth & Atmospher Sci, St Louis, MO 63103 USA.
RP Voss, PB (reprint author), Smith Coll, Picker Engn Program, Northampton, MA 01063 USA.
EM pvoss@smith.edu
RI Crounse, John/E-4622-2011; Wennberg, Paul/A-5460-2012; de Foy,
Benjamin/A-9902-2010; Madronich, Sasha/D-3284-2015; Crounse,
John/C-3700-2014;
OI de Foy, Benjamin/0000-0003-4150-9922; Madronich,
Sasha/0000-0003-0983-1313; Crounse, John/0000-0001-5443-729X; Zaveri,
Rahul/0000-0001-9874-8807
FU National Science Foundation [ATM-0511833, ATM-0810950, ATM-0511803];
National Center for Atmospheric Research (NCAR); Servicios a la
Navegacion en el Espacio Aereo Mexicano (SENEAM); Instituto Nacional de
Ecologia (INE) [C-130]; NCAR; Centro de Ciencias de la Atmosfera,
Universidad Nacional Autonoma de Mexico
FX We gratefully acknowledge the support of the National Science Foundation
Atmospheric Chemistry Program (Grant Numbers: ATM-0511833, ATM-0810950,
and ATM-0511803), the National Center for Atmospheric Research (NCAR),
the Servicios a la Navegacion en el Espacio Aereo Mexicano (SENEAM),
Instituto Nacional de Ecologia (INE), pilots and crew of the C-130, Jose
Meitin at NCAR, Sandra I. Ramirez Jimenez at the Centro de Ciencias de
la Atmosfera, Universidad Nacional Autonoma de Mexico, and our many
gracious hosts in Mexico. The C-130 meteorological data and SABL imagery
was provided by NCAR/EOL under sponsorship of the National Science
Foundation. All analysis was performed in the Matlab (v7.0.1)
programming environment from the MathWorks Inc.
NR 57
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PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 15
BP 7137
EP 7159
DI 10.5194/acp-10-7137-2010
PG 23
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 637VV
UT WOS:000280847700010
ER
PT J
AU Wang, J
Cubison, MJ
Aiken, AC
Jimenez, JL
Collins, DR
AF Wang, J.
Cubison, M. J.
Aiken, A. C.
Jimenez, J. L.
Collins, D. R.
TI The importance of aerosol mixing state and size-resolved composition on
CCN concentration and the variation of the importance with atmospheric
aging of aerosols
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID CLOUD CONDENSATION NUCLEI; SECONDARY ORGANIC AEROSOL; CITY
METROPOLITAN-AREA; MEXICO-CITY; MASS-SPECTROMETRY; HYGROSCOPIC GROWTH;
LIGHT-SCATTERING; HIGH-RESOLUTION; PART 1; PHYSICAL-PROPERTIES
AB Aerosol microphysics, chemical composition, and CCN concentrations were measured at the T0 urban super-site in Mexico City during Megacity Initiative: Local and Global Research Observations (MILAGRO) in March 2006. The aerosol size distribution and composition often showed strong diurnal variation associated with traffic emissions and aging of aerosols through coagulation and local photochemical production of secondary aerosol species. CCN concentrations (N-CCN) are derived using Kohler theory from the measured aerosol size distribution and various simplified aerosol mixing state and chemical composition, and are compared to concurrent measurements at five supersaturations ranging from 0.11% to 0.35%. The influence of assumed mixing state on calculated N-CCN is examined using both aerosols observed during MILAGRO and representative aerosol types. The results indicate that while ambient aerosols often consist of particles with a wide range of compositions at a given size, N-CCN may be derived within similar to 20% assuming an internal mixture (i.e., particles at a given size are mixtures of all participating species, and have the identical composition) if great majority of particles has an overall kappa (hygroscopicity parameter) value greater than 0.1. For a non-hygroscopic particle with a diameter of 100 nm, a 3 nm coating of sulfate or nitrate is sufficient to increase its kappa from 0 to 0.1. The measurements during MILAGRO suggest that the mixing of non-hygroscopic primary organic aerosol (POA) and black carbon (BC) particles with photochemically produced hygroscopic species and thereby the increase of their kappa to 0.1 take place in a few hours during daytime. This rapid process suggests that during daytime, a few tens of kilometers away for POA and BC sources, N-CCN may be derived with sufficient accuracy by assuming an internal mixture, and using bulk chemical composition. The rapid mixing also indicates that, at least for very active photochemical environments such as Mexico City, the timescale during daytime for the conversion of hydrophobic POA and BC to hydrophilic particles is substantially shorter than the 1-2 days used in some global models. The conversion time scale is substantially longer during night. Most POA and BC particles emitted during evening hours likely remain non-hygroscopic until efficiently internally mixed with secondary species in the next morning. The results also suggest that the assumed mixing state strongly impacts calculated N-CCN only when POA and BC represent a large fraction of the total aerosol volume. One of the implications is that while physically unrealistic, external mixtures, which are used in many global models, may also sufficiently predict N-CCN for aged aerosol, as the contribution of non-hygroscopic POA and BC to overall aerosol volume is often substantially reduced due to the condensation of secondary species.
C1 [Wang, J.] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA.
[Cubison, M. J.; Aiken, A. C.; Jimenez, J. L.] Univ Colorado, CIRES, Boulder, CO 80309 USA.
[Cubison, M. J.; Aiken, A. C.; Jimenez, J. L.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Collins, D. R.] Texas A&M Univ, Dept Atmospher Sci, College Stn, TX USA.
RP Wang, J (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA.
EM jian@bnl.gov
RI Jimenez, Jose/A-5294-2008; Aiken, Allison/B-9659-2009; Wang,
Jian/G-9344-2011; Collins, Don/F-9617-2012
OI Jimenez, Jose/0000-0001-6203-1847; Aiken, Allison/0000-0001-5749-7626;
FU US Department of Energy [DE-AC02-98CH10886]; DOE [DE-FG02-05ER63981,
DEFG0208ER64627]; NSF [ATM-0449815]; NOAA [NA08OAR4310565]
FX The authors thank Jeffrey Gaffney and Nancy Marley for providing
aethalometer data, and Robert Osborn and Runjun Li for their assistance
of operating SMPS and CCN counter at the T0 site. We acknowledge Mexican
Institute of Petroleum for hosting the T0 supersite, and logistics
support from Molina Center for Energy and the Environment, Mexican
government agencies, and institutions. This work was supported by the US
Department of Energy's Atmospheric Science Program (Office of Science,
OBER) under contract DE-AC02-98CH10886. MJC, ACA, and JLJ's contribution
was supported by DOE DE-FG02-05ER63981 and DEFG0208ER64627, NSF
ATM-0449815, and NOAA NA08OAR4310565.
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PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 15
BP 7267
EP 7283
DI 10.5194/acp-10-7267-2010
PG 17
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 637VV
UT WOS:000280847700019
ER
PT J
AU Barnard, JC
Fast, JD
Paredes-Miranda, G
Arnott, WP
Laskin, A
AF Barnard, J. C.
Fast, J. D.
Paredes-Miranda, G.
Arnott, W. P.
Laskin, A.
TI Technical Note: Evaluation of the WRF-Chem "Aerosol Chemical to Aerosol
Optical Properties" Module using data from the MILAGRO campaign
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID CITY METROPOLITAN-AREA; MEXICO-CITY; LIGHT-ABSORPTION; AIRBORNE
MEASUREMENTS; SPECTRAL ABSORPTION; MASS-SPECTROMETRY; ELEMENTAL CARBON;
ORGANIC AEROSOLS; NITROGEN-DIOXIDE; PARTICLES
AB A comparison between observed aerosol optical properties from the MILAGRO field campaign, which took place in the Mexico City Metropolitan Area (MCMA) during March 2006, and values simulated by the Weather Research and Forecasting (WRF-Chem) model, reveals large differences. To help identify the source of the discrepancies, data from the MILAGRO campaign are used to evaluate the "aerosol chemical to aerosol optical properties" module implemented in the full chemistry version of the WRF-Chem model. The evaluation uses measurements of aerosol size distributions and chemical properties obtained at the MILAGRO T1 site. These observations are fed to the module, which makes predictions of various aerosol optical properties, including the scattering coefficient, B-scat; the absorption coefficient, B-abs; and the single-scattering albedo, omega(0); all as a function of time. Values simulated by the module are compared with independent measurements obtained from a photoacoustic spectrometer (PAS) at a wavelength of 870 nm. Because of line losses and other factors, only "fine mode" aerosols with aerodynamic diameters less than 2.5 mu m are considered here. Over a 10-day period, the simulations of hour-by-hour variations of Bscat are not satisfactory, but simulations of B-abs and omega(0) are considerably better. When averaged over the 10-day period, the computed and observed optical properties agree within the uncertainty limits of the measurements and simulations. Specifically, the observed and calculated values are, respectively: (1) Bscat, 34.1+/-5.1Mm(-1) versus 30.4+/-3.4 Mm(-1); (2) Babs, 9.7+/-1.0 Mm(-1) versus 11.7+/-1.2 Mm(-1); and (3) omega(0), 0.78+/-0.05 and 0.74+/-0.03. The discrepancies in values of omega(0) simulated by the full WRF-Chem model thus cannot be attributed to the "aerosol chemistry to optics" module. The discrepancy is more likely due, in part, to poor characterization of emissions near the T1 site, particularly black carbon emissions.
C1 [Barnard, J. C.; Fast, J. D.; Laskin, A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Paredes-Miranda, G.; Arnott, W. P.] Univ Nevada, Reno, NV 89557 USA.
RP Barnard, JC (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM james.barnard@pnl.gov
RI Laskin, Alexander/I-2574-2012
OI Laskin, Alexander/0000-0002-7836-8417
FU US Department of Energy (Office of Science, BER) at Pacific Northwest
National Laboratory [DE-AC06-76RLO 1830]
FX This research was supported by the US Department of Energy's Atmospheric
Science Program (Office of Science, BER) under Contract DE-AC06-76RLO
1830 at Pacific Northwest National Laboratory. The Pacific Northwest
National Laboratory is operated by Battelle for the US Department of
Energy. The authors wish to thank Elaine Chapman for her comments
regarding this work, the AERONET program and Barry Lefer for the aerosol
size distribution information, and Prof. Rodney Weber for the PILS data.
We also thank Nels Laulainen, Mikhail Pekhour, Chris Doran, and
Xiao-Xing Yu for their help during the MILAGRO field campaign; and Luisa
Molina for organizing and running the campaign. We also thank Arturo
Quirantes Sierra for his efficient shell/core Mie code. Finally, we
thank Nancy Burleigh for her fine editorial job.
NR 65
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PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 15
BP 7325
EP 7340
DI 10.5194/acp-10-7325-2010
PG 16
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 637VV
UT WOS:000280847700023
ER
PT J
AU Bauer, SE
Menon, S
Koch, D
Bond, TC
Tsigaridis, K
AF Bauer, S. E.
Menon, S.
Koch, D.
Bond, T. C.
Tsigaridis, K.
TI A global modeling study on carbonaceous aerosol microphysical
characteristics and radiative effects
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID BLACK CARBON; MASS-SPECTROMETRY; EMISSIONS; ABSORPTION; SCATTERING;
PARTICLES; SATELLITE; CLIMATE; AEROCOM; SOOT
AB Recently, attention has been drawn towards black carbon aerosols as a short-term climate warming mitigation candidate. However the global and regional impacts of the direct, indirect and semi-direct aerosol effects are highly uncertain, due to the complex nature of aerosol evolution and the way that mixed, aged aerosols interact with clouds and radiation. A detailed aerosol microphysical scheme, MATRIX, embedded within the GISS climate model is used in this study to present a quantitative assessment of the impact of microphysical processes involving black carbon, such as emission size distributions and optical properties on aerosol cloud activation and radiative effects.
Our best estimate for net direct and indirect aerosol radiative flux change between 1750 and 2000 is -0.56 W/m(2). However, the direct and indirect aerosol effects are quite sensitive to the black and organic carbon size distribution and consequential mixing state. The net radiative flux change can vary between -0.32 to -0.75 W/m(2) depending on these carbonaceous particle properties at emission. Taking into account internally mixed black carbon particles let us simulate correct aerosol absorption. Absorption of black carbon aerosols is amplified by sulfate and nitrate coatings and, even more strongly, by organic coatings. Black carbon mitigation scenarios generally showed reduced radiative fluxeswhen sources with a large proportion of black carbon, such as diesel, are reduced; however reducing sources with a larger organic carbon component as well, such as bio-fuels, does not necessarily lead to a reduction in positive radiative flux.
C1 [Bauer, S. E.; Koch, D.; Tsigaridis, K.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
[Bauer, S. E.; Koch, D.] Columbia Univ, Earth Inst, New York, NY USA.
[Menon, S.] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
[Bond, T. C.] Univ Illinois, Urbana, IL 61801 USA.
RP Bauer, SE (reprint author), NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
EM sbauer@giss.nasa.gov
RI Tsigaridis, Kostas/K-8292-2012; Bond, Tami/A-1317-2013; Bauer,
Susanne/P-3082-2014
OI Tsigaridis, Kostas/0000-0001-5328-819X; Bond, Tami/0000-0001-5968-8928;
FU NASA [NN-H-04-Z-YS-008-N, NNH08ZDA001N-MAP]; NASA at the Goddard
Institute for Space Studies; US Department of Energy at Lawrence
Berkeley National Laboratory [DE-AC02-05CH11231]; DOE
FX This work has been supported by the NASA MAP program Modeling, Analysis
and Prediction Climate Variability and Change (NN-H-04-Z-YS-008-N) and
(NNH08ZDA001N-MAP). KT was supported by an appointment to the NASA
Postdoctoral Program at the Goddard Institute for Space Studies,
administered by Oak Ridge Associated Universities through a contract
with NASA. SM was supported by the US Department of Energy under
Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory
and also acknowledges support from the DOE Atmospheric System Research
Program and the NASA MAP program. We thank Andy Lacis for never getting
tired of explaining the GISS radiation code to us, and Jessica Sagona
for her work with the AERONET data sets. We acknowledge AERONET data,
available at http://aeronet/gsfc.nasa.gov; IMPROVE data available from
http://vista.cira.colostate.edu/IMPROVE; and EMEP data from
http://tarantula.nilu.no/projects/ccc. We are acknowledging the aircraft
measurements made available to us by groups at NOAA: David Fahey,
Ru-shan Gao, Joshua Schwarz, Ryan Spackman, Laurel Watts; University of
Tokyo: Yutaka Kondo, Nobuhiro Moteki; and University of Hawaii: Antony
Clarke, Cameron McNaughton, Steffen Freitag.
NR 43
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PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 15
BP 7439
EP 7456
DI 10.5194/acp-10-7439-2010
PG 18
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 637VV
UT WOS:000280847700031
ER
PT J
AU Hadley, OL
Corrigan, CE
Kirchstetter, TW
Cliff, SS
Ramanathan, V
AF Hadley, O. L.
Corrigan, C. E.
Kirchstetter, T. W.
Cliff, S. S.
Ramanathan, V.
TI Measured black carbon deposition on the Sierra Nevada snow pack and
implication for snow pack retreat
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID CLIMATIC IMPLICATIONS; ELEMENTAL CARBON; SPECTRAL ALBEDOS; SOURCE
PROFILES; UNITED-STATES; ASIAN DUST; AEROSOLS; SOOT; PARTICLES; SURFACE
AB Modeling studies show that the darkening of snow and ice by black carbon deposition is a major factor for the rapid disappearance of arctic sea ice, mountain glaciers and snow packs. This study provides one of the first direct measurements for the efficient removal of black carbon from the atmosphere by snow and its subsequent deposition to the snow packs of California. The early melting of the snow packs in the Sierras is one of the contributing factors to the severe water problems in California. BC concentrations in falling snow were measured at two mountain locations and in rain at a coastal site. All three stations reveal large BC concentrations in precipitation, ranging from 1.7 ng/g to 12.9 ng/g. The BC concentrations in the air after the snow fall were negligible suggesting an extremely efficient removal of BC by snow. The data suggest that below cloud scavenging, rather than ice nuclei, was the dominant source of BC in the snow. A five-year comparison of BC, dust, and total fine aerosol mass concentrations at multiple sites reveals that the measurements made at the sampling sites were representative of large scale deposition in the Sierra Nevada. The relative concentration of iron and calcium in the mountain aerosol indicates that one-quarter to one-third of the BC may have been transported from Asia.
C1 [Hadley, O. L.; Kirchstetter, T. W.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA.
[Corrigan, C. E.; Ramanathan, V.] Univ Calif San Diego, Scripps Inst Oceanog, Climate Atmospher Sci & Phys Oceanog Div, La Jolla, CA 92093 USA.
[Cliff, S. S.] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA.
RP Hadley, OL (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA.
EM olhadley@lbl.gov
FU Guido Franco; California Energy Commission; National Science Foundation
[ATMO721142]; Office of Science, Office of Basic Energy Sciences, US
Department of Energy [DE-AC02-05CH11231]
FX We would foremost like to acknowledge Guido Franco and the California
Energy Commission for support of this study, as well as partial support
from the National Science Foundation (ATMO721142). The authors
gratefully acknowledge the use of beamline 10.3.1 at the Advanced Light
Source-Lawrence Berkeley National Laboratory. 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. Also we thank Nancy Nordenstern, Mike Magnuson and
the National Park Service for their assistance with site installation at
LAVO. Lastly, we thank Randall Osterhuber for his help with site
installation and maintenance at CSSL and Michael Ives for his assistance
at the Trinidad Head site.
NR 53
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PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 15
BP 7505
EP 7513
DI 10.5194/acp-10-7505-2010
PG 9
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 637VV
UT WOS:000280847700035
ER
PT J
AU Schmidt, KS
Pilewskie, P
Bergstrom, R
Coddington, O
Redemann, J
Livingston, J
Russell, P
Bierwirth, E
Wendisch, M
Gore, W
Dubey, MK
Mazzoleni, C
AF Schmidt, K. S.
Pilewskie, P.
Bergstrom, R.
Coddington, O.
Redemann, J.
Livingston, J.
Russell, P.
Bierwirth, E.
Wendisch, M.
Gore, W.
Dubey, M. K.
Mazzoleni, C.
TI A new method for deriving aerosol solar radiative forcing and its first
application within MILAGRO/INTEX-B
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID SINGLE-SCATTERING ALBEDO; CITY METROPOLITAN-AREA; MEXICO-CITY; SPECTRAL
ABSORPTION; OPTICAL-PROPERTIES; SUNPHOTOMETER; AIRCRAFT; CAMPAIGN
AB We introduce a method for deriving aerosol spectral radiative forcing along with single scattering albedo, asymmetry parameter, and surface albedo from airborne vertical profile measurements of shortwave spectral irradiance and spectral aerosol optical thickness. The new method complements the traditional, direct measurement of aerosol radiative forcing efficiency from horizontal flight legs below gradients of aerosol optical thickness, and is particularly useful over heterogeneous land surfaces and for homogeneous aerosol layers where the horizontal gradient method is impractical. Using data collected by the Solar Spectral Flux Radiometer (SSFR) and the Ames Airborne Tracking Sunphotometer (AATS-14) during the MILAGRO (Megacity Initiative: Local and Global Research Observations) experiment, we validate an over-ocean spectral aerosol forcing efficiency from the new method by comparing with the traditional method. Retrieved over-land aerosol optical properties are compared with in-situ measurements and AERONET retrievals. The spectral forcing efficiencies over ocean and land are remarkably similar and agree with results from other field experiments.
C1 [Schmidt, K. S.; Pilewskie, P.; Coddington, O.] Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80309 USA.
[Bergstrom, R.; Redemann, J.] Bay Area Environm Res Inst, Sonoma, CA USA.
[Livingston, J.] SRI Int, Menlo Pk, CA 94025 USA.
[Russell, P.; Gore, W.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA.
[Bierwirth, E.; Wendisch, M.] Univ Leipzig, Leipzig Inst Meteorol, Leipzig, Germany.
[Dubey, M. K.; Mazzoleni, C.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Mazzoleni, C.] Michigan Technol Univ, Houghton, MI 49931 USA.
RP Schmidt, KS (reprint author), Univ Colorado, Atmospher & Space Phys Lab, Campus Box 392, Boulder, CO 80309 USA.
EM sebastian.schmidt@lasp.colorado.edu
RI Mazzoleni, Claudio/E-5615-2011; Dubey, Manvendra/E-3949-2010;
Coddington, Odele/F-6342-2012; SCHMIDT, KONRAD SEBASTIAN/C-1258-2013;
Wendisch, Manfred/E-4175-2013
OI Dubey, Manvendra/0000-0002-3492-790X; Coddington,
Odele/0000-0002-4338-7028; SCHMIDT, KONRAD
SEBASTIAN/0000-0003-3899-228X; Wendisch, Manfred/0000-0002-4652-5561
FU NASA [NNX08AI83G]; Robert Bergstrom [NNX08AH60]; NASA Ames Research
Center
FX This work was financed by the NASA atmospheric radiation program
(directed by Hal Maring). Sebastian Schmidt and Peter Pilewskie were
supported by NASA grant NNX08AI83G, Robert Bergstrom by NNX08AH60. We
thank John Pommier and Tony Trias, NASA Ames Research Center, for their
technical support before and during the MILAGRO experiment, the crew of
the J-31 aircraft, and for the support of the NASA ESPO team in
Veracruz, Mexico. We also thank the staff of the AERONET stations in
Tamihua (Mexico) and in the Mexico City urban area for maintaining the
AERONET sites; the T0, T1, and T2 AERONET sites were established
specifically for the MILAGRO experiment. The major part of this paper
was written while the first author worked at the Meteorological
Institute of the University for Natural Resources and Applied Life
Sciences in Vienna, Austria. Thanks for the hospitality of P. Weihs, J.
Wagner, and H. Kromp-Kolb.
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PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 16
BP 7829
EP 7843
DI 10.5194/acp-10-7829-2010
PG 15
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 645ED
UT WOS:000281432800021
ER
PT J
AU Hosseini, S
Li, Q
Cocker, D
Weise, D
Miller, A
Shrivastava, M
Miller, JW
Mahalingam, S
Princevac, M
Jung, H
AF Hosseini, S.
Li, Q.
Cocker, D.
Weise, D.
Miller, A.
Shrivastava, M.
Miller, J. W.
Mahalingam, S.
Princevac, M.
Jung, H.
TI Particle size distributions from laboratory-scale biomass fires using
fast response instruments
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID TRANSFORM INFRARED-SPECTROSCOPY; EMISSION FACTORS; COMBUSTION; AEROSOL;
FUELS; PHASE
AB Particle size distribution from biomass combustion is an important parameter as it affects air quality, climate modelling and health effects. To date, particle size distributions reported from prior studies vary not only due to difference in fuels but also difference in experimental conditions. This study aims to report characteristics of particle size distributions in well controlled repeatable lab scale biomass fires for southwestern United States fuels with focus on chaparral. The combustion laboratory at the United States Department of Agriculture-Forest Service's Fire Science Laboratory (USDA-FSL), Missoula, MT provided a repeatable combustion and dilution environment ideal for measurements. For a variety of fuels tested the major mode of particle size distribution was in the range of 29 to 52 nm, which is attributable to dilution of the fresh smoke. Comparing mass size distribution from FMPS and APS measurement 51-68% of particle mass was attributable to the particles ranging from 0.5 to 10 mu m for PM10. Geometric mean diameter rapidly increased during flaming and gradually decreased during mixed and smoldering phase combustion. Most fuels produced a unimodal distribution during flaming phase and strong biomodal distribution during smoldering phase. The mode of combustion (flaming, mixed and smoldering) could be better distinguished using the slopes in MCE (Modified Combustion Efficiency) vs. geometric mean diameter than only using MCE values.
C1 [Hosseini, S.; Shrivastava, M.; Mahalingam, S.; Princevac, M.; Jung, H.] Univ Calif Riverside, Dept Mech Engn, Riverside, CA 92521 USA.
[Li, Q.; Cocker, D.; Miller, J. W.] Univ Calif Riverside, Dept Chem Engn, Riverside, CA 92521 USA.
[Weise, D.] US Forest Serv, USDA, Pacific SW Res Stn, Forest Fire Lab, Riverside, CA USA.
[Miller, A.] NIOSH, Spokane, WA USA.
[Shrivastava, M.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Jung, H (reprint author), Univ Calif Riverside, Dept Mech Engn, Riverside, CA 92521 USA.
EM heejung@engr.ucr.edu
RI Cocker, David/F-4442-2010; Mahalingam, Shankar/K-6746-2015;
OI Cocker, David/0000-0002-0586-0769; Jung, Heejung/0000-0003-0366-7284;
Mahalingam, Shankar/0000-0002-4543-7201
FU US Department of Defense [SI-1647, SI-1648, SI-1649]
FX Funding for this study was provided by the US Department of Defense
Strategic Environmental Research and Development Program as projects
SI-1647, SI-1648, and SI-1649. We appreciate the assistance of personnel
at USMC Camp LeJuene, US Army Ft. Huachuca, Ft. Hunter-Liggett, Ft.
Benning, and Vandenberg Air Force Base in selecting fuel types for study
and fuel samples for burning. Authors are grateful to Robert Yokelson
and Ian Burling for FTIR data and WeiMinHao and Shawn Urbanski; Cyle
Wold, Joey Chong, Trevor Maynard and Emily Lincoln for their help.
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SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 16
BP 8065
EP 8076
DI 10.5194/acp-10-8065-2010
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 645ED
UT WOS:000281432800035
ER
PT J
AU Walker, TW
Martin, RV
van Donkelaar, A
Leaitch, WR
MacDonald, AM
Anlauf, KG
Cohen, RC
Bertram, TH
Huey, LG
Avery, MA
Weinheimer, AJ
Flocke, FM
Tarasick, DW
Thompson, AM
Streets, DG
Liu, X
AF Walker, T. W.
Martin, R. V.
van Donkelaar, A.
Leaitch, W. R.
MacDonald, A. M.
Anlauf, K. G.
Cohen, R. C.
Bertram, T. H.
Huey, L. G.
Avery, M. A.
Weinheimer, A. J.
Flocke, F. M.
Tarasick, D. W.
Thompson, A. M.
Streets, D. G.
Liu, X.
TI Trans-Pacific transport of reactive nitrogen and ozone to Canada during
spring
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID LONG-RANGE TRANSPORT; TRANSBOUNDARY POLLUTION INFLUENCES; EXPERIMENT
INTEX-B; UNITED-STATES; TRANSPACIFIC TRANSPORT; TROPOSPHERIC OZONE;
ASIAN EMISSIONS; NORTH-AMERICA; NOX EMISSIONS; MONITORING INSTRUMENT
AB We interpret observations from the Intercontinental Chemical Transport Experiment, Phase B (INTEX-B) in spring 2006 using a global chemical transport model (GEOS-Chem) to evaluate sensitivities of the free troposphere above the North Pacific Ocean and North America to Asian anthropogenic emissions. We develop a method to use satellite observations of tropospheric NO2 columns to provide timely estimates of trends in NOx emissions. NOx emissions increased by 33% for China and 29% for East Asia from 2003 to 2006. We examine measurements from three aircraft platforms from the INTEX-B campaign, including a Canadian Cessna taking vertical profiles of ozone near Whistler Peak. The contribution to the mean simulated ozone profiles over Whistler below 5.5 km is at least 7.2 ppbv for Asian anthropogenic emissions and at least 3.5 ppbv for global lightning NOx emissions. Tropospheric ozone columns from OMI exhibit a broad Asian outflow plume across the Pacific, which is reproduced by simulation. Mean modelled sensitivities of Pacific (30 degrees N-60 degrees N) tropospheric ozone columns are at least 4.6 DU for Asian anthropogenic emissions and at least 3.3 DU for lightning, as determined by simulations excluding either source. Enhancements of ozone over Canada from Asian anthropogenic emissions reflect a combination of trans-Pacific transport of ozone produced over Asia, and ozone produced in the eastern Pacific through decomposition of peroxyacetyl nitrates (PANs). A sensitivity study decoupling PANs globally from the model's chemical mechanism establishes that PANs increase ozone production by removing NOx from regions of low ozone production efficiency (OPE) and injecting it into regions with higher OPE, resulting in a global increase in ozone production by 2% in spring 2006. PANs contribute up to 4 ppbv to surface springtime ozone concentrations in western Canada. Ozone production due to PAN transport is greatest in the eastern Pacific; commonly occurring transport patterns advect this ozone northeastward into Canada. Transport events observed by the aircraft confirm that polluted airmasses were advected in this way.
C1 [Walker, T. W.; Martin, R. V.; van Donkelaar, A.] Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS, Canada.
[Leaitch, W. R.; MacDonald, A. M.; Anlauf, K. G.; Tarasick, D. W.] Environm Canada, Downsview, ON, Canada.
[Cohen, R. C.] Univ Calif Berkeley, Coll Chem, Berkeley, CA 94720 USA.
[Bertram, T. H.] Univ Calif San Diego, Dept Chem & Biochem, San Diego, CA 92103 USA.
[Huey, L. G.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA.
[Avery, M. A.] NASA, Div Atmospher Sci, Langley Res Ctr, Hampton, VA USA.
[Weinheimer, A. J.; Flocke, F. M.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Thompson, A. M.] Penn State Univ, Dept Meteorol, University Pk, PA 16802 USA.
[Streets, D. G.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA.
[Liu, X.] Univ Baltimore Cty UMBC, Baltimore, MD USA.
RP Walker, TW (reprint author), Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS, Canada.
EM twalker@atmosp.physics.utoronto.ca
RI Cohen, Ronald/A-8842-2011; Martin, Randall/C-1205-2014; Chem,
GEOS/C-5595-2014; Liu, Xiong/P-7186-2014; Thompson, Anne /C-3649-2014;
OI Cohen, Ronald/0000-0001-6617-7691; Martin, Randall/0000-0003-2632-8402;
Liu, Xiong/0000-0003-2939-574X; Thompson, Anne /0000-0002-7829-0920;
Streets, David/0000-0002-0223-1350; Tarasick, David/0000-0001-9869-0692
FU Natural Science and Engineering Research Council (NSERC) of Canada;
NSERC; NASA; NSF
FX This work was supported by the Special Research Opportunity Program of
the Natural Science and Engineering Research Council (NSERC) of Canada.
Thomas Walker was supported by an NSERC Canadian Graduate Scholarship.
The DC-8 and C-130 measurements were supported by NASA and NSF.
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SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 17
BP 8353
EP 8372
DI 10.5194/acp-10-8353-2010
PG 20
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 650JS
UT WOS:000281845800016
ER
PT J
AU Hosseini, S
Li, Q
Cocker, D
Weise, D
Miller, A
Shrivastava, M
Miller, JW
Mahalingam, S
Princevac, M
Jung, H
AF Hosseini, S.
Li, Q.
Cocker, D.
Weise, D.
Miller, A.
Shrivastava, M.
Miller, J. W.
Mahalingam, S.
Princevac, M.
Jung, H.
TI "Particle size distributions from laboratory-scale biomass fires using
fast response instruments" (vol 10, pg 8065, 2010)
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Correction
C1 [Hosseini, S.; Shrivastava, M.; Mahalingam, S.; Princevac, M.; Jung, H.] Univ Calif Riverside, Dept Mech Engn, Riverside, CA 92521 USA.
[Li, Q.; Cocker, D.; Miller, J. W.] Univ Calif Riverside, Dept Chem Engn, Riverside, CA 92521 USA.
[Weise, D.] US Forest Serv, USDA, Pacific SW Res Stn, Forest Fire Lab, Riverside, CA USA.
[Miller, A.] NIOSH, Spokane, WA USA.
[Shrivastava, M.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Jung, H (reprint author), Univ Calif Riverside, Dept Mech Engn, Riverside, CA 92521 USA.
EM heejung@engr.ucr.edu
NR 1
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J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 17
BP 8511
EP 8511
DI 10.5194/acp-10-8511-2010
PG 1
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 650JS
UT WOS:000281845800025
ER
PT J
AU Molina, LT
Madronich, S
Gaffney, JS
Apel, E
de Foy, B
Fast, J
Ferrare, R
Herndon, S
Jimenez, JL
Lamb, B
Osornio-Vargas, AR
Russell, P
Schauer, JJ
Stevens, PS
Volkamer, R
Zavala, M
AF Molina, L. T.
Madronich, S.
Gaffney, J. S.
Apel, E.
de Foy, B.
Fast, J.
Ferrare, R.
Herndon, S.
Jimenez, J. L.
Lamb, B.
Osornio-Vargas, A. R.
Russell, P.
Schauer, J. J.
Stevens, P. S.
Volkamer, R.
Zavala, M.
TI An overview of the MILAGRO 2006 Campaign: Mexico City emissions and
their transport and transformation
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID AEROSOL MASS-SPECTROMETRY; VOLATILE ORGANIC-COMPOUNDS; POLYCYCLIC
AROMATIC-HYDROCARBONS; PARTICULATE AIR-POLLUTION; CHARACTERIZING OZONE
PRODUCTION; POSITIVE MATRIX FACTORIZATION; SPECTRAL-RESOLUTION LIDAR;
MCMA-2003 FIELD CAMPAIGN; ABSORPTION CROSS-SECTION; IN-SITU MEASUREMENTS
AB MILAGRO (Megacity Initiative: Local And Global Research Observations) is an international collaborative project to examine the behavior and the export of atmospheric emissions from a megacity. The Mexico City Metropolitan Area (MCMA) - one of the world's largest megacities and North America's most populous city - was selected as the case study to characterize the sources, concentrations, transport, and transformation processes of the gases and fine particles emitted to the MCMA atmosphere and to evaluate the regional and global impacts of these emissions. The findings of this study are relevant to the evolution and impacts of pollution from many other megacities.
The measurement phase consisted of a month-long series of carefully coordinated observations of the chemistry and physics of the atmosphere in and near Mexico City during March 2006, using a wide range of instruments at ground sites, on aircraft and satellites, and enlisting over 450 scientists from 150 institutions in 30 countries. Three ground supersites were set up to examine the evolution of the primary emitted gases and fine particles. Additional platforms in or near Mexico City included mobile vans containing scientific laboratories and mobile and stationary upward-looking lidars. Seven instrumented research aircraft provided information about the atmosphere over a large region and at various altitudes. Satellite-based instruments peered down into the atmosphere, providing even larger geographical coverage. The overall campaign was complemented by meteorological forecasting and numerical simulations, satellite observations and surface networks. Together, these research observations have provided the most comprehensive characterization of the MCMA's urban and regional atmospheric composition and chemistry that will take years to analyze and evaluate fully.
In this paper we review over 120 papers resulting from the MILAGRO/INTEX-B Campaign that have been published or submitted, as well as relevant papers from the earlier MCMA-2003 Campaign, with the aim of providing a road map for the scientific community interested in understanding the emissions from a megacity such as the MCMA and their impacts on air quality and climate.
This paper describes the measurements performed during MILAGRO and the results obtained on MCMA's atmospheric meteorology and dynamics, emissions of gases and fine particles, sources and concentrations of volatile organic compounds, urban and regional photochemistry, ambient particulate matter, aerosol radiative properties, urban plume characterization, and health studies. A summary of key findings from the field study is presented.
C1 [Molina, L. T.; Zavala, M.] MIT, Cambridge, MA 02139 USA.
[Madronich, S.; Apel, E.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Gaffney, J. S.] Univ Arkansas, Little Rock, AR 72204 USA.
[de Foy, B.] St Louis Univ, St Louis, MO 63103 USA.
[Fast, J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Ferrare, R.] NASA, Langley Res Ctr, Hampton, VA 23665 USA.
[Herndon, S.] Aerodyne Res Inc, Billerica, MA 01821 USA.
[Jimenez, J. L.; Volkamer, R.] Univ Colorado, NOAA, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Lamb, B.] Washington State Univ, Pullman, WA 99164 USA.
[Osornio-Vargas, A. R.] Univ Nacl Autonoma Mexico, Mexico City 04510, DF, Mexico.
[Russell, P.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA.
[Schauer, J. J.] Univ Wisconsin, Madison, WI USA.
[Stevens, P. S.] Indiana Univ, Bloomington, IN USA.
EM ltmolina@mit.edu
RI Jimenez, Jose/A-5294-2008; Liu, Yanan/J-3680-2012; de Foy,
Benjamin/A-9902-2010; Madronich, Sasha/D-3284-2015; Osornio Vargas,
Alvaro/B-4645-2010; Volkamer, Rainer/B-8925-2016
OI Jimenez, Jose/0000-0001-6203-1847; de Foy, Benjamin/0000-0003-4150-9922;
Madronich, Sasha/0000-0003-0983-1313; Osornio Vargas,
Alvaro/0000-0001-8287-7102; Volkamer, Rainer/0000-0002-0899-1369
FU Mexican Metropolitan Environmental Commission; Mexican Ministry of the
Environment; CONACyT; PEMEX; NSF; DOE; NASA
FX The MILAGRO/INTEX-B Campaign is the collaborative efforts of a large
number of participants with the support of multi-national agencies. The
MILAGRO/INTEX-B participants would like to thank the governments of the
Federal District, the States of Mexico, Hidalgo and Veracruz, the
Mexican Ministries of the Environment, Foreign Relations, Defense and
Finance, the US Embassy in Mexico and the Molina Center for Energy and
the Environment for their logistical support; IMP, U-Tecamac, and Rancho
La Bisnega for hosting the supersites as well as many other Mexican
institutions for their support. The MILAGRO/INTEX-B participants are
grateful for funding from the Mexican Metropolitan Environmental
Commission, Mexican Ministry of the Environment, CONACyT, PEMEX, NSF
Atmospheric Chemistry Program, DOE Atmospheric Science Program and NASA
Tropospheric Chemistry and Radiation Science Programs.
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SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 18
BP 8697
EP 8760
DI 10.5194/acp-10-8697-2010
PG 64
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 657RC
UT WOS:000282429000005
ER
PT J
AU Zhao, C
Liu, X
Leung, LR
Johnson, B
McFarlane, SA
Gustafson, WI
Fast, JD
Easter, R
AF Zhao, C.
Liu, X.
Leung, L. R.
Johnson, B.
McFarlane, S. A.
Gustafson, W. I., Jr.
Fast, J. D.
Easter, R.
TI The spatial distribution of mineral dust and its shortwave radiative
forcing over North Africa: modeling sensitivities to dust emissions and
aerosol size treatments
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID REGIONAL AIR-QUALITY; SAHARAN DUST; OPTICAL-PROPERTIES;
REFRACTIVE-INDEX; IMAGING SPECTRORADIOMETER; WEST-AFRICA; CLIMATE; WRF;
ATMOSPHERE; TRANSPORT
AB A fully coupled meteorology-chemistry-aerosol model (WRF-Chem) is applied to simulate mineral dust and its shortwave (SW) radiative forcing over North Africa. Two dust emission schemes (GOCART and DUSTRAN) and two aerosol models (MADE/SORGAM and MOSAIC) are adopted in simulations to investigate the modeling sensitivities to dust emissions and aerosol size treatments. The modeled size distribution and spatial variability of mineral dust and its radiative properties are evaluated using measurements (ground-based, aircraft, and satellites) during the AMMA SOP0 campaign from 6 January to 3 February of 2006 (the SOP0 period) over North Africa. Two dust emission schemes generally simulate similar spatial distributions and temporal evolutions of dust emissions. Simulations using the GOCART scheme with different initial (emitted) dust size distributions require similar to 40% difference in total emitted dust mass to produce similar SW radiative forcing of dust over the Sahel region. The modal approach of MADE/SORGAM retains 25% more fine dust particles (radius<1.25 mu m) but 8% less coarse dust particles (radius>1.25 mu m) than the sectional approach of MOSAIC in simulations using the same size-resolved dust emissions. Consequently, MADE/SORGAM simulates 11% higher AOD, up to 13% lower SW dust heating rate, and 15% larger (more negative) SW dust radiative forcing at the surface than MOSAIC over the Sahel region. In the daytime of the SOP0 period, the model simulations show that the mineral dust heats the lower atmosphere with an average rate of 0.8 +/- 0.5 K day(-1) over the Niamey vicinity and 0.5 +/- 0.2 K day(-1) over North Africa and reduces the downwelling SW radiation at the surface by up to 58 W m(-2) with an average of 22 W m(-2) over North Africa. This highlights the importance of including dust radiative impact in understanding the regional climate of North Africa. When compared to the available measurements, the WRF-Chem simulations can generally capture the measured features of mineral dust and its radiative properties over North Africa, suggesting that the model is suitable for more extensive simulations of dust impact on regional climate over North Africa.
C1 [Zhao, C.; Liu, X.; Leung, L. R.; McFarlane, S. A.; Gustafson, W. I., Jr.; Fast, J. D.; Easter, R.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Johnson, B.] Met Off, Exeter, Devon, England.
RP Zhao, C (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
EM chun.zhao@pnl.gov
RI McFarlane, Sally/C-3944-2008; Gustafson, William/A-7732-2008; Zhao,
Chun/A-2581-2012; Johnson, Ben/A-6563-2013; Liu, Xiaohong/E-9304-2011
OI Gustafson, William/0000-0001-9927-1393; Zhao, Chun/0000-0003-4693-7213;
Liu, Xiaohong/0000-0002-3994-5955
FU Department of Energy; US DOE by Battelle Memorial Institute
[DE-AC06-76RLO330 1830]; Department of Energy's Office of Biological and
Environmental Research at Pacific Northwest National Laboratory
FX We thank Yun Qian for his internal review in PNNL. This paper benefited
from valuable comments and suggestions by two anonymous reviewers. This
study is supported by the Department of Energy Climate Change Prediction
Program (CCPP) Investigations on the Magnitude and Probabilities of
Abrupt Climate TransitionS (IMPACTS) project. Pacific Northwest National
Laboratory is operated for the US DOE by Battelle Memorial Institute
under contract DE-AC06-76RLO330 1830. A portion of the research was
performed using EMSL, a national scientific user facility sponsored by
the Department of Energy's Office of Biological and Environmental
Research and located at Pacific Northwest National Laboratory.
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SN 1680-7316
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 18
BP 8821
EP 8838
DI 10.5194/acp-10-8821-2010
PG 18
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 657RC
UT WOS:000282429000009
ER
PT J
AU Flowers, BA
Dubey, MK
Mazzoleni, C
Stone, EA
Schauer, JJ
Kim, SW
Yoon, SC
AF Flowers, B. A.
Dubey, M. K.
Mazzoleni, C.
Stone, E. A.
Schauer, J. J.
Kim, S. -W.
Yoon, S. C.
TI Optical-chemical-microphysical relationships and closure studies for
mixed carbonaceous aerosols observed at Jeju Island; 3-laser
photoacoustic spectrometer, particle sizing, and filter analysis
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID LIGHT-ABSORPTION; BLACK-CARBON; ORGANIC AEROSOL; ELEMENTAL CARBON;
REFRACTIVE-INDEX; BROWN CARBON; MEXICO-CITY; ACE-ASIA; SOOT; CALIFORNIA
AB Transport of aerosols in pollution plumes from the mainland Asian continent was observed in situ at Jeju, South Korea during the Cheju Asian Brown Cloud Plume-Asian Monsoon Experiment (CAPMEX) field campaign throughout August and September 2008 using a 3-laser photoacoustic spectrometer (PASS-3), chemical filter analysis, and size distributions. The PASS-3 directly measures the effects of morphology (e. g. coatings) on light absorption that traditional filter-based instruments are unable to address. Transport of mixed sulfate, carbonaceous, and nitrate aerosols from various Asian pollution plumes to Jeju accounted for 74% of the deployment days, showing large variations in their measured chemical and optical properties. Analysis of eight distinct episodes, spanning wide ranges of chemical composition, optical properties, and source regions, reveals that episodes with higher organic carbon (OC)/sulfate (SO42-) and nitrate (NO3-)/SO42- composition ratios exhibit lower single scatter albedo at shorter wavelengths (omega 405). We infer complex refractive indices (n - ik) as a function of wavelength for the high, intermediate, and low OC/SO42- pollution episodes by using the observed particle size distributions and the measured optical properties. The smallest mean particle diameter corresponds to the high OC/SO42- aerosol episode. The imaginary part of the refractive index (k) is greater for the high OC/SO42- episode at all wavelengths. A distinct, sharp increase in k at short wavelength implies enhanced light absorption by OC, which accounts for 50% of the light absorption at 405 nm, in the high OC/SO42- episode. Idealized analysis indicates increased absorption at 781 nm by factors greater than 3 relative to denuded black carbon in the laboratory. We hypothesize that coatings of black carbon cores are the mechanism of this enhancement. This implies that climate warming and atmospheric heating rates from black carbon particles can be significantly larger than have been estimated previously. The results of this study demonstrate ways in which atmospheric processing and mixing can amplify particle light absorption for carbonaceous aerosol, significantly at short wavelength, underscoring the need to understand and predict chemical composition effects on optical properties to accurately estimate the climate radiative forcing by mixed carbonaceous aerosols.
C1 [Flowers, B. A.; Dubey, M. K.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
[Mazzoleni, C.] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA.
[Stone, E. A.; Schauer, J. J.] Univ Wisconsin, Madison, WI 53706 USA.
[Kim, S. -W.; Yoon, S. C.] Seoul Natl Univ, Sch Earth & Environm Sci, Seoul 151741, South Korea.
RP Dubey, MK (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
EM dubey@lanl.gov
RI Mazzoleni, Claudio/E-5615-2011; Dubey, Manvendra/E-3949-2010
OI Dubey, Manvendra/0000-0002-3492-790X
FU United States Department of Energy; School of Earth and Environmental
Sciences, Seoul National University; Korea Meteorological Administration
[RACS 2010-1009]
FX This work was funded by the United States Department of Energy ASR and
ARM grants to M. K. Dubey (PI). We gratefully acknowledge V. Ramanathan
and M. V. Ramana (UCSD) for critical discussions, logistical assistance,
and organization of the CAPMEX campaign. The authors thank John Walker
(DMT) for instrument installation and field operation. We also thank an
anonymous reviewer for suggestions concerning measured size
distributions that were quite helpful strengthening the manuscript.
S.-C. Yoon and S.-W. Kim was supported by the BK21 program of the School
of Earth and Environmental Sciences, Seoul National University, and by
the Korea Meteorological Administration Research and Development Program
under Grant RACS 2010-1009.
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EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 21
BP 10387
EP 10398
DI 10.5194/acp-10-10387-2010
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 680CQ
UT WOS:000284210400015
ER
PT J
AU Kolb, CE
Cox, RA
Abbatt, JPD
Ammann, M
Davis, EJ
Donaldson, DJ
Garrett, BC
George, C
Griffiths, PT
Hanson, DR
Kulmala, M
McFiggans, G
Poschl, U
Riipinen, I
Rossi, MJ
Rudich, Y
Wagner, PE
Winkler, PM
Worsnop, DR
O' Dowd, CD
AF Kolb, C. E.
Cox, R. A.
Abbatt, J. P. D.
Ammann, M.
Davis, E. J.
Donaldson, D. J.
Garrett, B. C.
George, C.
Griffiths, P. T.
Hanson, D. R.
Kulmala, M.
McFiggans, G.
Poeschl, U.
Riipinen, I.
Rossi, M. J.
Rudich, Y.
Wagner, P. E.
Winkler, P. M.
Worsnop, D. R.
O' Dowd, C. D.
TI An overview of current issues in the uptake of atmospheric trace gases
by aerosols and clouds
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID LIQUID-VAPOR INTERFACE; MASS ACCOMMODATION COEFFICIENT;
MOLECULAR-DYNAMICS SIMULATIONS; AIR-WATER-INTERFACE; SECONDARY ORGANIC
AEROSOL; POLAR STRATOSPHERIC CLOUDS; MINERAL DUST SURROGATES; DROPLET
GROWTH-KINETICS; UNSATURATED FATTY-ACIDS; TRANSITION-STATE THEORY
AB A workshop was held in the framework of the ACCENT (Atmospheric Composition Change - a European Network) Joint Research Programme on "Aerosols" and the Programme on "Access to Laboratory Data". The aim of the workshop was to hold "Gordon Conference" type discussion covering accommodation and reactive uptake of water vapour and trace pollutant gases on condensed phase atmospheric materials. The scope was to review and define the current state of knowledge of accommodation coefficients for water vapour on water droplet and ice surfaces, and uptake of trace gas species on a variety of different surfaces characteristic of the atmospheric condensed phase particulate matter and cloud droplets. Twenty-six scientists participated in this meeting through presentations, discussions and the development of a consensus review.
In this review we present an analysis of the state of knowledge on the thermal and mass accommodation coefficient for water vapour on aqueous droplets and ice and a survey of current state-of the-art of reactive uptake of trace gases on a range of liquid and solid atmospheric droplets and particles. The review recommends consistent definitions of the various parameters that are needed for quantitative representation of the range of gas/condensed surface kinetic processes important for the atmosphere and identifies topics that require additional research.
C1 [Kolb, C. E.; Worsnop, D. R.] Aerodyne Res Inc, Ctr Aerosol & Cloud Chem, Billerica, MA 01821 USA.
[Cox, R. A.; Griffiths, P. T.] Univ Cambridge, Ctr Atmospher Sci, Dept Chem, Cambridge CB2 1EP, England.
[Abbatt, J. P. D.; Donaldson, D. J.] Univ Toronto, Dept Chem, Toronto, ON M5S 3H6, Canada.
[Ammann, M.] Paul Scherrer Inst, Lab Radiochem & Environm Chem, CH-5232 Villigen, Switzerland.
[Davis, E. J.] Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA.
[Garrett, B. C.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
[George, C.] Univ Lyon 1 2, IRCELYON, Inst Rech Catalyse & Environm Lyon, CNRS UMR 5256, F-69626 Villeurbanne, France.
[Hanson, D. R.] Augsburg Coll, Minneapolis, MN 55454 USA.
[Kulmala, M.; Riipinen, I.; Worsnop, D. R.] Univ Helsinki, Dept Phys Sci, FIN-00014 Helsinki, Finland.
[McFiggans, G.] Univ Manchester, Ctr Atmospher Sci, Sch Earth Atmospher & Environm Sci, Manchester M13 9PL, Lancs, England.
[Poeschl, U.] Max Planck Inst Chem, Biogeochem Dept, D-55128 Mainz, Germany.
[Rossi, M. J.] Paul Scherrer Inst, Lab Atmosphaerenchem, OFLA008, CH-5232 Villigen, Switzerland.
[Rudich, Y.] Weizmann Inst Sci, Dept Environm Sci, IL-76100 Rehovot, Israel.
[Wagner, P. E.; Winkler, P. M.] Univ Vienna, Fac Phys, A-1090 Vienna, Austria.
[Winkler, P. M.] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80305 USA.
[O' Dowd, C. D.] Natl Univ Ireland Galway, Sch Phys, Galway, Ireland.
[O' Dowd, C. D.] Natl Univ Ireland Galway, Ctr Climate & Air Pollut Studies, Galway, Ireland.
RP Kolb, CE (reprint author), Aerodyne Res Inc, Ctr Aerosol & Cloud Chem, 45 Manning Rd, Billerica, MA 01821 USA.
EM kolb@aerodyne.com
RI Griffiths, Paul /E-8592-2010; ROSSI, Michel J./C-7878-2013; Rudich,
Yinon/K-1498-2012; O'Dowd , Colin/K-8904-2012; Donaldson,
James/G-7120-2012; Kulmala, Markku/I-7671-2016; Poschl,
Ulrich/A-6263-2010; Worsnop, Douglas/D-2817-2009; Garrett,
Bruce/F-8516-2011; McFiggans, Gordon/B-8689-2011; Ammann,
Markus/E-4576-2011; Riipinen, Ilona/I-9379-2012; Kolb,
Charles/A-8596-2009
OI Rudich, Yinon/0000-0003-3149-0201; Griffiths, Paul /0000-0002-1089-340X;
ROSSI, Michel J./0000-0003-3504-695X; O'Dowd ,
Colin/0000-0002-3068-2212; Donaldson, James/0000-0002-5090-3318;
Kulmala, Markku/0000-0003-3464-7825; Poschl, Ulrich/0000-0003-1412-3557;
Worsnop, Douglas/0000-0002-8928-8017; McFiggans,
Gordon/0000-0002-3423-7896; Ammann, Markus/0000-0001-5922-9000;
FU European Commission through the ACCENT (Atmospheric Composition Change -
Network of Excellence) [505337]
FX We gratefully acknowledge financial support from the European Commission
through the ACCENT (Atmospheric Composition Change - Network of
Excellence) under Contract No. 505337. This support made possible the
international gathering of scientists that led to this review. We also
thank Hannah Barjat and Brianne Hills who helped with document
preparation.
NR 417
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Z9 153
U1 10
U2 201
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 21
BP 10561
EP 10605
DI 10.5194/acp-10-10561-2010
PG 45
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 680CQ
UT WOS:000284210400025
ER
PT J
AU Mahowald, NM
Kloster, S
Engelstaedter, S
Moore, JK
Mukhopadhyay, S
McConnell, JR
Albani, S
Doney, SC
Bhattacharya, A
Curran, MAJ
Flanner, MG
Hoffman, FM
Lawrence, DM
Lindsay, K
Mayewski, PA
Neff, J
Rothenberg, D
Thomas, E
Thornton, PE
Zender, CS
AF Mahowald, N. M.
Kloster, S.
Engelstaedter, S.
Moore, J. K.
Mukhopadhyay, S.
McConnell, J. R.
Albani, S.
Doney, S. C.
Bhattacharya, A.
Curran, M. A. J.
Flanner, M. G.
Hoffman, F. M.
Lawrence, D. M.
Lindsay, K.
Mayewski, P. A.
Neff, J.
Rothenberg, D.
Thomas, E.
Thornton, P. E.
Zender, C. S.
TI Observed 20th century desert dust variability: impact on climate and
biogeochemistry
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID ATMOSPHERIC MINERAL AEROSOLS; GENERAL-CIRCULATION MODEL; ICE CORE
RECORDS; INTERANNUAL VARIABILITY; RELATIVE IMPORTANCE; CARBON-DIOXIDE;
NORTH-ATLANTIC; AFRICAN DUST; UPPER OCEAN; LAND-USE
AB Desert dust perturbs climate by directly and indirectly interacting with incoming solar and outgoing long wave radiation, thereby changing precipitation and temperature, in addition to modifying ocean and land biogeochemistry. While we know that desert dust is sensitive to perturbations in climate and human land use, previous studies have been unable to determine whether humans were increasing or decreasing desert dust in the global average. Here we present observational estimates of desert dust based on paleodata proxies showing a doubling of desert dust during the 20th century over much, but not all the globe. Large uncertainties remain in estimates of desert dust variability over 20th century due to limited data. Using these observational estimates of desert dust change in combination with ocean, atmosphere and land models, we calculate the net radiative effect of these observed changes (top of atmosphere) over the 20th century to be -0.14 +/- 0.11 W/m(2) (1990-1999 vs. 1905-1914). The estimated radiative change due to dust is especially strong between the heavily loaded 1980-1989 and the less heavily loaded 1955-1964 time periods (-0.57 +/- 0.46 W/m(2)), which model simulations suggest may have reduced the rate of temperature increase between these time periods by 0.11 degrees C. Model simulations also indicate strong regional shifts in precipitation and temperature from desert dust changes, causing 6 ppm (12 PgC) reduction in model carbon uptake by the terrestrial biosphere over the 20th century. Desert dust carries iron, an important micronutrient for ocean biogeochemistry that can modulate ocean carbon storage; here we show that dust deposition trends increase ocean productivity by an estimated 6% over the 20th century, drawing down an additional 4 ppm (8 PgC) of carbon dioxide into the oceans. Thus, perturbations to desert dust over the 20th century inferred from observations are potentially important for climate and biogeochemistry, and our understanding of these changes and their impacts should continue to be refined.
C1 [Mahowald, N. M.; Kloster, S.; Engelstaedter, S.; Albani, S.; Rothenberg, D.] Cornell Univ, Dept Earth & Atmospher Sci, Ithaca, NY 14853 USA.
[Moore, J. K.; Zender, C. S.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA.
[Mukhopadhyay, S.; Bhattacharya, A.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA.
[McConnell, J. R.] Desert Res Inst, Div Hydrol Sci, Reno, NV 89512 USA.
[Albani, S.] Univ Milano Bicocca, Dept Environm Sci, I-20126 Milan, Italy.
[Doney, S. C.] Woods Hole Oceanog Inst, Woods Hole, MA 02543 USA.
[Curran, M. A. J.] Australian Antarctic Div, Kingston, Tas 7050, Australia.
[Curran, M. A. J.] Antarctic Climate & Ecosyst Cooperat Res Ctr, Hobart, Tas 7001, Australia.
[Flanner, M. G.; Thornton, P. E.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA.
[Hoffman, F. M.] Oak Ridge Natl Lab, Computat Earth Sci Grp, Oak Ridge, TN 37831 USA.
[Lawrence, D. M.; Lindsay, K.] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO 80307 USA.
[Mayewski, P. A.] Univ Maine, Climate Change Inst, Orono, ME 04469 USA.
[Neff, J.] Univ Colorado, Dept Geosci, Boulder, CO 80301 USA.
[Neff, J.] Univ Colorado, Environm Studies Program, Boulder, CO 80301 USA.
[Thomas, E.] British Antarctic Survey, Cambridge CB3 0ET, England.
RP Mahowald, NM (reprint author), Cornell Univ, Dept Earth & Atmospher Sci, Ithaca, NY 14853 USA.
EM mahowald@cornell.edu
RI Flanner, Mark/C-6139-2011; Lawrence, David/C-4026-2011; Neff,
Jason/A-1211-2012; Hoffman, Forrest/B-8667-2012; Thornton,
Peter/B-9145-2012; Zender, Charles/D-4485-2012; Doney,
Scott/F-9247-2010; Mahowald, Natalie/D-8388-2013; Rothenberg,
Daniel/H-1353-2013; Albani, Samuel/G-5329-2015
OI Flanner, Mark/0000-0003-4012-174X; Lawrence, David/0000-0002-2968-3023;
Hoffman, Forrest/0000-0001-5802-4134; NEFF, JASON/0000-0002-8290-1472;
Thornton, Peter/0000-0002-4759-5158; Zender,
Charles/0000-0003-0129-8024; Engelstaedter,
Sebastian/0000-0001-9315-580X; Doney, Scott/0000-0002-3683-2437;
Mahowald, Natalie/0000-0002-2873-997X; Rothenberg,
Daniel/0000-0002-8270-4831; Albani, Samuel/0000-0001-9736-5134
FU NASA [NNG06G127G, NNX07AL80G]; NSF [NSF-0832782, 0932946, 0745961,
OPP-0538427]; UK Natural Environment Research Council
FX We would like to acknowledge NASA grants NNG06G127G and NNX07AL80G, NSF
grants NSF-0832782, 0932946, 0745961 and OPP-0538427, and the UK Natural
Environment Research Council. These simulations were conducted at the
National Center for Atmospheric Research, a National Science Foundation
funded facility. Comments by Ron Miller improved the manuscript. We
would like to thank three anonymous reviewers for their helpful
comments.
NR 97
TC 116
Z9 117
U1 8
U2 72
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 22
BP 10875
EP 10893
DI 10.5194/acp-10-10875-2010
PG 19
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 687EG
UT WOS:000284759500011
ER
PT J
AU Hodzic, A
Jimenez, JL
Prevot, ASH
Szidat, S
Fast, JD
Madronich, S
AF Hodzic, A.
Jimenez, J. L.
Prevot, A. S. H.
Szidat, S.
Fast, J. D.
Madronich, S.
TI Can 3-D models explain the observed fractions of fossil and non-fossil
carbon in and near Mexico City?
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID AEROSOL MASS-SPECTROMETRY; SECONDARY ORGANIC AEROSOLS; MILAGRO 2006
CAMPAIGN; URBAN SUPERSITE T0; SOURCE APPORTIONMENT; AMBIENT AEROSOL;
ATMOSPHERIC AEROSOLS; RADIOCARBON CONTENT; SOURCE ATTRIBUTION; C-14
MEASUREMENTS
AB A 3-D chemistry-transport model has been applied to the Mexico City metropolitan area to investigate the origin of elevated levels of non-fossil (NF) carbonaceous aerosols observed in this highly urbanized region. High time resolution measurements of the fine aerosol concentration and composition, and 12 or 24 h integrated C-14 measurements of aerosol modern carbon have been performed in and near Mexico City during the March 2006 MILAGRO field experiment. The non-fossil carbon fraction (f(NF)), which is lower than the measured modern fraction (f(M)) due to the elevated C-14 in the atmosphere caused by nuclear bomb testing, is estimated from the measured f(M) and the source-dependent information on modern carbon enrichment. The f(NF) contained in PM1 total carbon analyzed by a US team (f(NF)(TC)) ranged from 0.37 to 0.67 at the downtown location, and from 0.50 to 0.86 at the suburban site. Substantially lower values (i.e. 0.24-0.49) were found for PM10 filters downtown by an independent set of measurements (Swiss team), which are inconsistent with the modeled and known differences between the size ranges, suggesting higher than expected uncertainties in the measurement techniques of C-14. An increase in the non-fossil organic carbon (OC) fraction (f(NF)(OC)) by 0.10-0.15 was observed for both sets of filters during periods with enhanced wildfire activity in comparison to periods when fires were suppressed by rain, which is consistent with the wildfire impacts estimated with other methods. Model results show that the relatively high fraction of non-fossil carbon found in Mexico City seems to arise from the combination in about equal proportions of regional biogenic SOA, biomass burning POA and SOA, as well as non-fossil urban POA and SOA. Predicted spatial and temporal variations for f(NF)(OC) are similar to those in the measurements between the urban vs. suburban sites, and high-fire vs. low-fire periods. The absolute modeled values of f(NF)(OC) are consistent with the Swiss dataset but lower than the US dataset. Resolving the C-14 measurement discrepancies is necessary for further progress in model evaluation. The model simulations that included secondary organic aerosol (SOA) formation from semi-volatile and intermediate volatility (S/IVOC) vapors showed improved closure for the total OA mass compared to simulations which only included SOA from VOCs, providing a more realistic basis to evaluate the f(NF) predictions. f(NF)(OC) urban sources of modern carbon are important in reducing or removing the difference in f(NF) between model and measurements, even though they are often neglected on the interpretation of C-14 datasets. An underprediction of biomass burning POA by the model during some mornings also explains a part of the model-measurement differences. The f(NF) of urban POA and SOA precursors is an important parameter that needs to be better constrained by measurements. Performing faster (<= 3 h) C-14 measurements in future campaigns is critical to further progress in this area. To our knowledge this is the first time that radiocarbon measurements are used together with aerosol mass spectrometer (AMS) organic components to assess the performance of a regional model for organic aerosols.
C1 [Hodzic, A.; Madronich, S.] NCAR Earth Syst Lab, Boulder, CO USA.
[Jimenez, J. L.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Jimenez, J. L.] Univ Colorado, CIRES, Boulder, CO 80309 USA.
[Prevot, A. S. H.] Paul Scherrer Inst, Lab Atmospher Chem, Zurich, Switzerland.
[Szidat, S.] Univ Bern, Oeschger Ctr Climate Change Res, CH-3012 Bern, Switzerland.
[Szidat, S.] Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland.
[Fast, J. D.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Hodzic, A (reprint author), NCAR Earth Syst Lab, Boulder, CO USA.
EM alma@ucar.edu
RI Madronich, Sasha/D-3284-2015; Jimenez, Jose/A-5294-2008; Prevot,
Andre/C-6677-2008; Szidat, Sonke/D-6706-2011; Hodzic, Alma/C-3629-2009
OI Madronich, Sasha/0000-0003-0983-1313; Jimenez, Jose/0000-0001-6203-1847;
Prevot, Andre/0000-0002-9243-8194; Szidat, Sonke/0000-0002-1824-6207;
FU NSF [NSF ATM-0449815]; NOAA [NOAA NA08OAR431056]; DOE [DOE
DEFG0208ER6462]; ASR at Pacific Northwest National Laboratory
[DE-AC06-76RLO 1830]
FX The National Center for Atmospheric Research is operated by the
University Corporation for Atmospheric Research on behalf of the
National Science Foundation. We are also grateful for support from
grants NSF ATM-0449815, NOAA NA08OAR4310565, and DOE DEFG0208ER6462. We
gratefully acknowledge J. Gaffney (University of Arkansas) and N. Marley
(University of Arkansas) for sharing their 14C dataset, which
was obtained as part of the DOE Atmospheric Systems Research program
effort. Jerome Fast was supported by the ASR program under contract
DE-AC06-76RLO 1830 at Pacific Northwest National Laboratory. We are
grateful to Thomas Karl (NCAR) for numerous discussions on the topic.
NR 59
TC 46
Z9 46
U1 0
U2 14
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 22
BP 10997
EP 11016
DI 10.5194/acp-10-10997-2010
PG 20
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 687EG
UT WOS:000284759500019
ER
PT J
AU Burling, IR
Yokelson, RJ
Griffith, DWT
Johnson, TJ
Veres, P
Roberts, JM
Warneke, C
Urbanski, SP
Reardon, J
Weise, DR
Hao, WM
de Gouw, J
AF Burling, I. R.
Yokelson, R. J.
Griffith, D. W. T.
Johnson, T. J.
Veres, P.
Roberts, J. M.
Warneke, C.
Urbanski, S. P.
Reardon, J.
Weise, D. R.
Hao, W. M.
de Gouw, J.
TI Laboratory measurements of trace gas emissions from biomass burning of
fuel types from the southeastern and southwestern United States
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID TRANSFORM INFRARED-SPECTROSCOPY; NITROUS-ACID HONO; ENGLAND AIR-QUALITY;
NI-PT-CIMS; FIRE EMISSIONS; SAVANNA FIRES; HETEROGENEOUS CONVERSION;
SOUTHERN-CALIFORNIA; TROPICAL FOREST; AFRICAN
AB Vegetation commonly managed by prescribed burning was collected from five southeastern and southwestern US military bases and burned under controlled conditions at the US Forest Service Fire Sciences Laboratory in Missoula, Montana. The smoke emissions were measured with a large suite of state-of-the-art instrumentation including an open-path Fourier transform infrared (OP-FTIR) spectrometer for measurement of gas-phase species. The OP-FTIR detected and quantified 19 gas-phase species in these fires: CO2, CO, CH4, C2H2, C2H4, C3H6, HCHO, HCOOH, CH3OH, CH3COOH, furan, H2O, NO, NO2, HONO, NH3, HCN, HCl, and SO2. Emission factors for these species are presented for each vegetation type burned. Gas-phase nitrous acid (HONO), an important OH precursor, was detected in the smoke from all fires. The HONO emission factors ranged from 0.15 to 0.60 g kg(-1) and were higher for the southeastern fuels. The fire-integrated molar emission ratios of HONO (relative to NOx) ranged from approximately 0.03 to 0.20, with higher values also observed for the southeastern fuels. The majority of non-methane organic compound (NMOC) emissions detected by OP-FTIR were oxygenated volatile organic compounds (OVOCs) with the total identified OVOC emissions constituting 61 +/- 12% of the total measured NMOC on a molar basis. These OVOC may undergo photolysis or further oxidation contributing to ozone formation. Elevated amounts of gas-phase HCl and SO2 were also detected during flaming combustion, with the amounts varying greatly depending on location and vegetation type. The fuels with the highest HCl emission factors were all located in the coastal regions, although HCl was also observed from fuels farther inland. Emission factors for HCl were generally higher for the southwestern fuels, particularly those found in the chaparral biome in the coastal regions of California.
C1 [Burling, I. R.; Yokelson, R. J.] Univ Montana, Dept Chem, Missoula, MT 59812 USA.
[Griffith, D. W. T.] Univ Wollongong, Dept Chem, Wollongong, NSW 2522, Australia.
[Johnson, T. J.] Pacific NW Natl Lab, Richland, WA 99354 USA.
[Veres, P.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Veres, P.; Roberts, J. M.; Warneke, C.; de Gouw, J.] Natl Ocean & Atmospher Adm, Earth Syst Res Lab, Div Chem Sci, Boulder, CO 80305 USA.
[Warneke, C.; de Gouw, J.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Urbanski, S. P.; Reardon, J.; Hao, W. M.] US Forest Serv, USDA, Rocky Mt Res Stn, Fire Sci Lab, Missoula, MT 59808 USA.
[Weise, D. R.] US Forest Serv, USDA, Pacific SW Res Stn, Forest Fire Lab, Riverside, CA USA.
RP Yokelson, RJ (reprint author), Univ Montana, Dept Chem, Missoula, MT 59812 USA.
EM bob.yokelson@umontana.edu
RI Warneke, Carsten/E-7174-2010; Veres, Patrick/E-7441-2010; Yokelson,
Robert/C-9971-2011; Roberts, James/A-1082-2009; de Gouw,
Joost/A-9675-2008; Manager, CSD Publications/B-2789-2015
OI Veres, Patrick/0000-0001-7539-353X; Yokelson,
Robert/0000-0002-8415-6808; Roberts, James/0000-0002-8485-8172; de Gouw,
Joost/0000-0002-0385-1826;
FU Strategic Environmental Research and Development Program (SERDP)
[SI-1648, SI-1649]; NSF [ATM 1542457]; CIRES
FX This work was supported by the Strategic Environmental Research and
Development Program (SERDP) projects SI-1648 and SI-1649 and
administered through Forest Service Research Joint Venture Agreement
08JV11272166039, and we thank the sponsors for their support. P. Veres,
J. M. Roberts, C. Warneke, J. de Gouw were supported in part by NSF
Grant # ATM 1542457 and the CIRES Innovative Research Program. We
appreciate the efforts of Joey Chong, Bonni Corcoran, Amy Olson, Violet
Holly, Signe Leirfallom, and Emily Lincoln to harvest the fuels and
assemble the fuel beds for this study. The cooperation of Dan Ardoin and
personnel at Vandenberg AFB, Jeff Minetti and personnel at Ft.
Hunter-Liggett, Andrew Leiendecker and personnel at Ft. Huachuca, and
Danny Becker, Susan Cohen, Wayne Gray, and Gary Curcio at Camp Lejeune
is greatly appreciated.
NR 67
TC 71
Z9 71
U1 5
U2 52
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 22
BP 11115
EP 11130
DI 10.5194/acp-10-11115-2010
PG 16
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 687EG
UT WOS:000284759500022
ER
PT J
AU Chiu, JC
Marshak, A
Knyazikhin, Y
Wiscombe, WJ
AF Chiu, J. C.
Marshak, A.
Knyazikhin, Y.
Wiscombe, W. J.
TI Spectrally-invariant behavior of zenith radiance around cloud edges
simulated by radiative transfer
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID SMALL CUMULUS CLOUDS; DROPLET SPECTRA; EVOLUTION; HUMIDITY
AB In a previous paper, we discovered a surprising spectrally-invariant relationship in shortwave spectrometer observations taken by the Atmospheric Radiation Measurement (ARM) program. The relationship suggests that the shortwave spectrum near cloud edges can be determined by a linear combination of zenith radiance spectra of the cloudy and clear regions. Here, using radiative transfer simulations, we study the sensitivity of this relationship to the properties of aerosols and clouds, to the underlying surface type, and to the finite field-of-view (FOV) of the spectrometer. Overall, the relationship is mostly sensitive to cloud properties and has little sensitivity to other factors. At visible wavelengths, the relationship primarily depends on cloud optical depth regardless of cloud phase function, thermodynamic phase and drop size. At water-absorbing wavelengths, the slope of the relationship depends primarily on cloud optical depth; the intercept, by contrast, depends primarily on cloud absorbing and scattering properties, suggesting a new retrieval method for cloud drop effective radius. These results suggest that the spectrally-invariant relationship can be used to infer cloud properties near cloud edges even with insufficient or no knowledge about spectral surface albedo and aerosol properties.
C1 [Chiu, J. C.] Univ Reading, Dept Meteorol, Reading, Berks, England.
[Marshak, A.; Wiscombe, W. J.] NASA, Goddard Space Flight Ctr, Climate & Radiat Branch, Greenbelt, MD USA.
[Knyazikhin, Y.] Boston Univ, Dept Geog, Boston, MA USA.
[Wiscombe, W. J.] Brookhaven Natl Lab, Atmos Sci Div, New York, NY USA.
RP Chiu, JC (reprint author), Univ Reading, Dept Meteorol, Reading, Berks, England.
EM c.j.chiu@reading.ac.uk
RI Chiu, Christine/E-5649-2013
OI Chiu, Christine/0000-0002-8951-6913
FU Office of Science [DE-AI02-08ER64562, DE-FG02-08ER64563,
DE-FG02-08ER54564]
FX This research was supported by the Office of Science (BER, US Department
of Energy, Interagency Agreement No. DE-AI02-08ER64562,
DE-FG02-08ER64563, DE-FG02-08ER54564) as part of the ARM program.
NR 23
TC 6
Z9 6
U1 0
U2 1
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2010
VL 10
IS 22
BP 11295
EP 11303
DI 10.5194/acp-10-11295-2010
PG 9
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 687EG
UT WOS:000284759500032
ER
PT J
AU Roberts, JM
Veres, P
Warneke, C
Neuman, JA
Washenfelder, RA
Brown, SS
Baasandorj, M
Burkholder, JB
Burling, IR
Johnson, TJ
Yokelson, RJ
de Gouw, J
AF Roberts, J. M.
Veres, P.
Warneke, C.
Neuman, J. A.
Washenfelder, R. A.
Brown, S. S.
Baasandorj, M.
Burkholder, J. B.
Burling, I. R.
Johnson, T. J.
Yokelson, R. J.
de Gouw, J.
TI Measurement of HONO, HNCO, and other inorganic acids by negative-ion
proton-transfer chemical-ionization mass spectrometry (NI-PT-CIMS):
application to biomass burning emissions
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID ISOCYANIC ACID; NITROUS-ACID; ABSORPTION-SPECTROSCOPY; REACTIVE
NITROGEN; AIR-QUALITY; NITRIC-ACID; CALIBRATION; GENERATION; ATMOSPHERE;
PYROLYSIS
AB A negative-ion proton-transfer chemical ionization mass spectrometric technique (NI-PT-CIMS), using acetate as the reagent ion, was applied to the measurement of volatile inorganic acids of atmospheric interest: hydrochloric (HCl), nitrous (HONO), nitric (HNO(3)), and isocyanic (HNCO) acids. Gas phase calibrations through the sampling inlet showed the method to be intrinsically sensitive (6-16 cts/pptv), but prone to inlet effects for HNO(3) and HCl. The ion chemistry was found to be insensitive to water vapor concentrations, in agreement with previous studies of carboxylic acids. The inlet equilibration times for HNCO and HONO were 2 to 4s, allowing for measurement in biomass burning studies. Several potential interferences in HONO measurements were examined: decomposition of HNO(3)center dot NO(3)(-) clusters within the CIMS, and NO(2)-water production on inlet surfaces, and were quite minor (<= 1%, 3.3%, respectively). The detection limits of the method were limited by the instrument backgrounds in the ion source and flow tube, and were estimated to range between 16 and 50 pptv (parts per trillion by volume) for a 1 min average. The comparison of HONO measured by CIMS and by in situ FTIR showed good correlation and agreement to within 17%. The method provided rapid and accurate measurements of HNCO and HONO in controlled biomass burning studies, in which both acids were seen to be important products.
C1 [Roberts, J. M.; Veres, P.; Warneke, C.; Neuman, J. A.; Washenfelder, R. A.; Brown, S. S.; Baasandorj, M.; Burkholder, J. B.; de Gouw, J.] NOAA, ESRL, Div Chem Sci, Boulder, CO USA.
[Burling, I. R.; Yokelson, R. J.] Univ Montana, Dept Chem, Missoula, MT 59812 USA.
[Johnson, T. J.] Pacific NW Natl Lab, Richland, WA 99354 USA.
[Veres, P.; Warneke, C.; Neuman, J. A.; Washenfelder, R. A.; Baasandorj, M.; de Gouw, J.] Univ Colorado, CIRES, Boulder, CO 80309 USA.
RP Roberts, JM (reprint author), NOAA, ESRL, Div Chem Sci, R CSD7,325 Broadway, Boulder, CO USA.
EM james.m.roberts@noaa.gov
RI Veres, Patrick/E-7441-2010; Warneke, Carsten/E-7174-2010; Roberts,
James/A-1082-2009; Yokelson, Robert/C-9971-2011; Washenfelder,
Rebecca/E-7169-2010; Burkholder, James/H-4914-2013; Brown,
Steven/I-1762-2013; Neuman, Andy/A-1393-2009; de Gouw,
Joost/A-9675-2008; Manager, CSD Publications/B-2789-2015
OI Veres, Patrick/0000-0001-7539-353X; Roberts, James/0000-0002-8485-8172;
Yokelson, Robert/0000-0002-8415-6808; Washenfelder,
Rebecca/0000-0002-8106-3702; Neuman, Andy/0000-0002-3986-1727; de Gouw,
Joost/0000-0002-0385-1826;
FU NOAA; NSF [ATM 1542457]; CIRES; DoD [SI-1648, SI-1649]
FX This work was supported by the NOAA's Health of the Atmosphere Program
and NOAA's Climate Goal, NSF Grant No. ATM 1542457, the CIRES Innovative
Research Program, and DoD SERDP Grant Nos. SI-1648 and SI-1649 in the
sustainable infrastructure program.
NR 45
TC 66
Z9 66
U1 8
U2 65
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2010
VL 3
IS 4
BP 981
EP 990
DI 10.5194/amt-3-981-2010
PG 10
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 645DW
UT WOS:000281432100012
ER
PT J
AU Yurganov, L
McMillan, W
Wilson, C
Fischer, M
Biraud, S
Sweeney, C
AF Yurganov, L.
McMillan, W.
Wilson, C.
Fischer, M.
Biraud, S.
Sweeney, C.
TI Carbon monoxide mixing ratios over Oklahoma between 2002 and 2009
retrieved from Atmospheric Emitted Radiance Interferometer spectra
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID FIRE SMOKE PLUME; HIGH-RESOLUTION; CO; TEMPERATURE; INVERSION;
POLLUTION; SATELLITE; AIRCRAFT; COLUMN; SPACE
AB CO mixing ratios for the lowermost 2-km atmospheric layer were retrieved from downwelling infrared (IR) radiance spectra of the clear sky measured between 2002 and 2009 by a zenith-viewing Atmospheric Emitted Radiance Interferometer (AERI) deployed at the Southern Great Plains (SGP) observatory of the Atmospheric Radiation Measurements (ARM) Program near Lamont, Oklahoma. A version of a published earlier retrieval algorithm was improved and validated. Archived temperature and water vapor profiles retrieved from the same AERI spectra through automated ARM processing were used as input data for the CO retrievals. We found the archived water vapor profiles required additional constraint using SGP Microwave Radiometer retrievals of total precipitable water vapor. A correction for scattered solar light was developed as well. The retrieved CO was validated using simultaneous independently measured CO profiles from an aircraft. These tropospheric CO profiles were measured from the surface to altitudes of 4572ma.s.l. once or twice a week between March 2006 and December 2008. The aircraft measurements were supplemented with ground-based CO measurements using a non-dispersive infrared gas correlation instrument at the SGP and retrievals from the Atmospheric IR Sounder (AIRS) above 5 km to create full tropospheric CO profiles. Comparison of the profiles convolved with averaging kernels to the AERI CO retrievals found a squared correlation coefficient of 0.57, a standard deviation of +/- 11.7 ppbv, a bias of -16 ppbv, and a slope of 0.92. Averaged seasonal and diurnal cycles measured by the AERI are compared with those measured continuously in situ at the SGP in the boundary layer. Monthly mean CO values measured by the AERI between 2002 and 2009 are compared with those measured by the AIRS over North America, the Northern Hemisphere mid-latitudes, and over the tropics.
C1 [Yurganov, L.; McMillan, W.; Wilson, C.] Univ Maryland Baltimore Cty, Joint Ctr Earth Syst Technol, Baltimore, MD 21228 USA.
[Fischer, M.; Biraud, S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA.
[Sweeney, C.] Natl Ocean & Atmospher Adm, Earth Syst Res Lab, Global Monitoring Div, Boulder, CO USA.
RP Yurganov, L (reprint author), Univ Maryland Baltimore Cty, Joint Ctr Earth Syst Technol, Baltimore, MD 21228 USA.
EM yurganov@umbc.edu
RI Biraud, Sebastien/M-5267-2013
OI Biraud, Sebastien/0000-0001-7697-933X
FU NASA [NAG5-11653, NNG04GN42G, NNG06GB06G]; NSF [OISE-0827507_00004084];
NOAA [NA04AOAR4310095]; Office of Science, Office of Biological and
Environmental Research, Climate Change Research Division, of the US
Department of Energy [DE-AC02-05CH11231]
FX This research was supported through a subcontract with the AIRS Project
Office at JPL; by NASA grants NAG5-11653, NNG04GN42G, and NNG06GB06G, by
NSF grant OISE-0827507_00004084, and by NOAA grant NA04AOAR4310095. The
in situ measurements at the tower and the aircraft sampling were
supported by the Director, Office of Science, Office of Biological and
Environmental Research, Climate Change Research Division, of the US
Department of Energy under Contract No. DE-AC02-05CH11231. The authors
are grateful to Paul Novelli for great efforts to keep the high quality
of CO flask analysis. We thank Bruce Doddridge for his support of
initial AERI CO validation during CAMEX-2.
NR 60
TC 7
Z9 7
U1 0
U2 4
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2010
VL 3
IS 5
BP 1319
EP 1331
DI 10.5194/amt-3-1319-2010
PG 13
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 673KW
UT WOS:000283661300010
ER
PT J
AU Kassianov, E
Ovchinnikov, M
Berg, LK
McFarlane, SA
Flynn, C
Ferrare, R
Hostetler, C
Alexandrov, M
AF Kassianov, E.
Ovchinnikov, M.
Berg, L. K.
McFarlane, S. A.
Flynn, C.
Ferrare, R.
Hostetler, C.
Alexandrov, M.
TI Retrieval of aerosol optical depth in vicinity of broken clouds from
reflectance ratios: case study
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID UNIFIED SATELLITE CLIMATOLOGY; SPECTRAL-RESOLUTION LIDAR; GROUND-BASED
MEASUREMENTS; CLEAR-SKY REFLECTANCE; MFRSR DATA; ALBEDO; MODIS; MODELS;
PRECIPITATION; SIMULATIONS
AB A recently developed reflectance ratio (RR) method for the retrieval of aerosol optical depth (AOD) is evaluated using extensive airborne and ground-based data sets collected during the Cloud and Land Surface Interaction Campaign (CLASIC) and the Cumulus Humilis Aerosol Processing Study (CHAPS), which took place in June 2007 over the US Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Southern Great Plains site. A detailed case study is performed for a field of single-layer shallow cumuli observed on 12 June 2007. The RR method is applied to retrieve the spectral values of AOD from the reflectance ratios measured by the MODIS Airborne Simulator (MAS) for two pairs of wavelengths (660 and 470 nm, 870 and 470 nm) collected at a spatial resolution of 0.05 km. The retrieval is compared with an independent AOD estimate from three ground-based Multi-filter Rotating Shadowband Radiometers (MFRSRs). The interpolation algorithm that is used to project MFRSR point measurements onto the aircraft flight tracks is tested using AOD derived from NASA Langley High Spectral Resolution Lidar (HSRL). The RR AOD estimates are in a good agreement (within 5%) with the MFRSR-derived AOD values for the 660-nm wavelength. The AODs obtained from MAS reflectance ratios overestimate those derived from MFRSR measurements by 15-30% for the 470-nm wavelength and underestimate the 870-nm AOD by the same amount.
C1 [Kassianov, E.; Ovchinnikov, M.; Berg, L. K.; McFarlane, S. A.; Flynn, C.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Ferrare, R.; Hostetler, C.] NASA, Langley Res Ctr, Hampton, VA 23681 USA.
[Alexandrov, M.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
RP Kassianov, E (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM evgueni.kassianov@pnl.gov
RI McFarlane, Sally/C-3944-2008; Berg, Larry/A-7468-2016
OI Berg, Larry/0000-0002-3362-9492
FU National Aeronautics and Space Administration (NASA); Office of
Biological and Environmental Research (OBER) of the US Department of
Energy (DOE); DOE [DE-AC06-76RLO 1830]; US DOE
FX This work was supported by the National Aeronautics and Space
Administration (NASA) through the Radiation Sciences Program and the
Office of Biological and Environmental Research (OBER) of the US
Department of Energy (DOE) as part of the Atmospheric Radiation
Measurement (ARM) Program and Atmospheric Science Program (ASP). The
Pacific Northwest National Laboratory (PNNL) is operated by Battelle for
the DOE under contract DE-AC06-76RLO 1830. This research was performed
in part using the Molecular Science Computing Facility (MSCF) in the
Environmental Molecular Sciences Laboratory (EMSL), a national
scientific user facility sponsored by the US DOE, OBER and located at
PNNL. We are grateful to James Barnard and Alexander Kokhanovsky and
anonymous reviewers for thoughtful comments.
NR 62
TC 6
Z9 7
U1 0
U2 7
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2010
VL 3
IS 5
BP 1333
EP 1349
DI 10.5194/amt-3-1333-2010
PG 17
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 673KW
UT WOS:000283661300011
ER
PT J
AU Wunch, D
Toon, GC
Wennberg, PO
Wofsy, SC
Stephens, BB
Fischer, ML
Uchino, O
Abshire, JB
Bernath, P
Biraud, SC
Blavier, JFL
Boone, C
Bowman, KP
Browell, EV
Campos, T
Connor, BJ
Daube, BC
Deutscher, NM
Diao, M
Elkins, JW
Gerbig, C
Gottlieb, E
Griffith, DWT
Hurst, DF
Jimenez, R
Keppel-Aleks, G
Kort, EA
Macatangay, R
Machida, T
Matsueda, H
Moore, F
Morino, I
Park, S
Robinson, J
Roehl, CM
Sawa, Y
Sherlock, V
Sweeney, C
Tanaka, T
Zondlo, MA
AF Wunch, D.
Toon, G. C.
Wennberg, P. O.
Wofsy, S. C.
Stephens, B. B.
Fischer, M. L.
Uchino, O.
Abshire, J. B.
Bernath, P.
Biraud, S. C.
Blavier, J. -F. L.
Boone, C.
Bowman, K. P.
Browell, E. V.
Campos, T.
Connor, B. J.
Daube, B. C.
Deutscher, N. M.
Diao, M.
Elkins, J. W.
Gerbig, C.
Gottlieb, E.
Griffith, D. W. T.
Hurst, D. F.
Jimenez, R.
Keppel-Aleks, G.
Kort, E. A.
Macatangay, R.
Machida, T.
Matsueda, H.
Moore, F.
Morino, I.
Park, S.
Robinson, J.
Roehl, C. M.
Sawa, Y.
Sherlock, V.
Sweeney, C.
Tanaka, T.
Zondlo, M. A.
TI Calibration of the Total Carbon Column Observing Network using aircraft
profile data
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID SOLAR ABSORPTION-SPECTRA; SPECTROSCOPIC DATABASE; LINE PARAMETERS;
ATMOSPHERIC CO2; WATER-VAPOR; SCALE; O-2; AIR; CH4; REEVALUATION
AB The Total Carbon Column Observing Network (TCCON) produces precise measurements of the column average dry-air mole fractions of CO2, CO, CH4, N2O and H2O at a variety of sites worldwide. These observations rely on spectroscopic parameters that are not known with sufficient accuracy to compute total columns that can be used in combination with in situ measurements. The TCCON must therefore be calibrated to World Meteorological Organization (WMO) in situ trace gas measurement scales. We present a calibration of TCCON data using WMO-scale instrumentation aboard aircraft that measured profiles over four TCCON stations during 2008 and 2009. These calibrations are compared with similar observations made in 2004 and 2006. The results indicate that a single, global calibration factor for each gas accurately captures the TCCON total column data within error.
C1 [Toon, G. C.; Blavier, J. -F. L.] CALTECH, Jet Prop Lab, Pasadena, CA 91125 USA.
[Wofsy, S. C.; Daube, B. C.; Gottlieb, E.; Jimenez, R.; Kort, E. A.; Park, S.] Harvard Univ, Cambridge, MA 02138 USA.
[Stephens, B. B.; Campos, T.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Deutscher, N. M.; Griffith, D. W. T.; Macatangay, R.] Univ Wollongong, Ctr Atmospher Chem, Wollongong, NSW, Australia.
[Sherlock, V.] Natl Inst Water & Atmospher Res, Wellington, New Zealand.
[Connor, B. J.] BC Consulting Ltd, Alexandra, South Africa.
[Bernath, P.; Boone, C.] Univ Waterloo, Waterloo, ON N2L 3G1, Canada.
[Bernath, P.] York Univ, York, N Yorkshire, England.
[Fischer, M. L.; Biraud, S. C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA.
[Browell, E. V.] NASA, Langley Res Ctr, Hampton, VA 23665 USA.
[Abshire, J. B.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA.
[Bowman, K. P.] Texas A&M Univ, College Stn, TX USA.
[Uchino, O.; Machida, T.; Morino, I.; Tanaka, T.] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan.
[Diao, M.; Zondlo, M. A.] Princeton Univ, Princeton, NJ 08544 USA.
[Gerbig, C.] Max Planck Inst Biogeochem, Jena, Germany.
[Elkins, J. W.; Hurst, D. F.] Natl Ocean & Atmospher Adm, Boulder, CO USA.
[Hurst, D. F.; Moore, F.; Sweeney, C.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Matsueda, H.; Sawa, Y.] Meteorol Res Inst, Tsukuba, Ibaraki 305, Japan.
[Robinson, J.] Natl Inst Water & Atmospher Res, Lauder, New Zealand.
[Jimenez, R.] Univ Nacl Colombia, Dept Chem & Enivronmental Engn, Bogota 111321, DC, Colombia.
RP Wunch, D (reprint author), CALTECH, Jet Prop Lab, Pasadena, CA 91125 USA.
EM dwunch@gps.caltech.edu
RI Bowman, Kenneth/A-1345-2012; Wennberg, Paul/A-5460-2012; Diao,
Minghui/A-4437-2015; Hurst, Dale/D-1554-2016; JIMENEZ,
Rodrigo/B-6112-2012; Bernath, Peter/B-6567-2012; Kort, Eric/F-9942-2012;
Keppel-Aleks, Gretchen/A-3239-2013; Abshire, James/I-2800-2013; Gerbig,
Christoph/L-3532-2013; Biraud, Sebastien/M-5267-2013; Stephens,
Britton/B-7962-2008; Morino, Isamu/K-1033-2014; Zondlo,
Mark/R-6173-2016;
OI Bowman, Kenneth/0000-0002-2667-8632; Diao, Minghui/0000-0003-0324-0897;
Hurst, Dale/0000-0002-6315-2322; Bernath, Peter/0000-0002-1255-396X;
Kort, Eric/0000-0003-4940-7541; Gerbig, Christoph/0000-0002-1112-8603;
Biraud, Sebastien/0000-0001-7697-933X; Stephens,
Britton/0000-0002-1966-6182; Morino, Isamu/0000-0003-2720-1569; Zondlo,
Mark/0000-0003-2302-9554; JIMENEZ, Rodrigo/0000-0002-8665-9484
FU US Department of Energy, Office of Science, Office of Biological and
Environmental Research; NASA; DOE; Canadian Space Agency; LBNL-DOE
[DE-AC02-05CH11231]; Australian Research Council [DP0879468, LP0562346];
Australian Greenhouse Office; National Science Foundation
FX The authors wish to thank Stephanie Vay and Donald R. Blake for guidance
and the use of the INTEX-NA CO2 and CH4 profiles,
respectively. The INTEX-NA data were downloaded from
ftp://ftp-air.larc.nasa.gov/pub/INTEXA/DC8_AIRCRAFT/ on 10 September
2010. NCEP Reanalysis data is provided by the NOAA/OAR/ESRL PSD,
Boulder, Colorado, USA, from their Web site at http://www.cdc.noaa.gov/.
Data were obtained through the Atmospheric Radiation Measurement (ARM)
Program sponsored by the US Department of Energy, Office of Science,
Office of Biological and Environmental Research. Data were generated by
the National Oceanic and Atmospheric Administration (NOAA), Earth System
Research Laboratory (ESRL), Carbon Cycle Greenhouse Gases Group,
including flask data from Andrews et al. (2009). The Meteorological
Research Institute tower measurements are described by Inoue and
Matsueda (1996). US funding for TCCON comes from NASA's Terrestrial
Ecology Program, the Orbiting Carbon Observatory project and the DOE/ARM
Program. Part of this work was performed at the Jet Propulsion
Laboratory, California Institute of Technology, under contract with
NASA. ACE is funded primarily by the Canadian Space Agency. Support for
the Learjet-25 measurements was provided by the NASA ASCENDS development
and ESTO IIP programs. Support for the flask measurements at the SGP ARM
site is from LBNL-DOE contract DE-AC02-05CH11231. We acknowledge funding
for Darwin and Wollongong from the Australian Research Council, Projects
DP0879468 and LP0562346 with the Australian Greenhouse Office. The
National Center for Atmospheric Research is sponsored by the National
Science Foundation.
NR 46
TC 152
Z9 154
U1 2
U2 39
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
EI 1867-8548
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2010
VL 3
IS 5
BP 1351
EP 1362
DI 10.5194/amt-3-1351-2010
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 673KW
UT WOS:000283661300012
ER
PT J
AU Yu, XY
Cowin, JP
Iedema, MJ
Ali, H
AF Yu, X. -Y.
Cowin, J. P.
Iedema, M. J.
Ali, H.
TI Fast time-resolved aerosol collector: proof of concept
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID PARTICLES; SPECTROMETER; INSTRUMENT; DEPOSITION; SURFACE; PLATE
AB Atmospheric particles can be collected in the field on substrates for subsequent laboratory analysis via chemically sensitive single particle methods such as scanning electron microscopy with energy dispersive x-ray analysis. With moving substrates time resolution of seconds to minutes can be achieved. In this paper, we demonstrate how to increase the time resolution when collecting particles on a substrate to a few milliseconds to provide real-time information. Our fast time-resolved aerosol collector ("Fast-TRAC") microscopically observes the particle collection on a substrate and records an on-line video. Particle arrivals are resolved to within a single frame (4-17 ms in this setup), and the spatial locations are matched to the subsequent single particle analysis. This approach also provides in-situ information on particle size and number concentration. Applications are expected in airborne studies of cloud microstructure, pollution plumes, and surface long-term monitoring.
C1 [Yu, X. -Y.; Cowin, J. P.; Iedema, M. J.; Ali, H.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Yu, XY (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM xiaoying.yu@pnl.gov
RI Yu, Xiao-Ying/L-9385-2013
OI Yu, Xiao-Ying/0000-0002-9861-3109
FU US Department of Energy [DE-AC05-76RL01830]; National Oceanic and
Atmospheric Administration; Atmospheric Composition and Climate Program
[47840]; DOE/BES Chemical Sciences [KC-0301020-16248]; NIEHS Chemical
Sensor Program/Gene Environmental Health Initiative [ES016110];
Department of Energy's Office of Biological and Environmental Research
(OBER)
FX The work was supported by US Department of Energy under the auspices of
the Atmospheric Science Program, under Contract DE-AC05-76RL01830, by
the under the auspices of the Atmospheric Composition and Climate
Program under subcontract 47840, a DOE/BES Chemical Sciences grant
(KC-0301020-16248), and an NIEHS Chemical Sensor Program/Gene
Environmental Health Initiative (ES016110). The research was performed
in the Environmental Molecular Sciences Laboratory (EMSL), a national
scientific user facility sponsored by the Department of Energy's Office
of Biological and Environmental Research (OBER) and located at Pacific
Northwest National Laboratory.
NR 25
TC 0
Z9 0
U1 1
U2 5
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2010
VL 3
IS 5
BP 1377
EP 1384
DI 10.5194/amt-3-1377-2010
PG 8
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 673KW
UT WOS:000283661300014
ER
PT S
AU Martinson, ABF
AF Martinson, A. B. F.
BE Elam, JW
DeGendt, S
VanDerStraten, O
Delabie, A
Londergan, A
Bent, SF
Roozeboom, F
TI Dye-Sensitized Solar Cell Photoelectrode Fabrication and Modification by
Atomic Layer Deposition
SO ATOMIC LAYER DEPOSITION APPLICATIONS 6
SE ECS Transactions
LA English
DT Proceedings Paper
CT 6th Symposium on Atomic Layer Deposition Applications as Part of the
218th Meeting of the Electrochemical-Society (ECS)
CY OCT 10-15, 2010
CL Las Vegas, NV
SP Electrochem Soc (ECS), Dielect Sci & Technol Div, Elect & Photon, Air Liquide, Appl Mat, Cambridge NanoTech, Gelest, Qualcomm, SAFC Hitech
ID ELECTRON INJECTION; TIO2; COLLECTION; SHUTTLES; DYNAMICS; FILMS
AB Dye-sensitized solar cells (DSSCs) are a class of photoelectrochemical devices with exceptional potential for low-cost, scalable solar energy conversion. The similar to 10-um-thick sintered nanoparticle film that often comprises the photoelectrode is utilized to chemically bind similar to 10(17) chromophores with monolayer coverage. Although this ingenious architecture allows DSSCs to achieve power conversion efficiencies of 12%, it is the chief obstacle to further advances in the field. Alternative photoelectrode designs attainable by atomic layer deposition (ALD) have opened new routes to efficiency improvement. Ultrathin interfacial layers grown by ALD have also been utilized to tailor the properties of the large, heterogeneous junction universal to DSSCs.
C1 [Martinson, A. B. F.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
RP Martinson, ABF (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
NR 17
TC 0
Z9 0
U1 0
U2 5
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-171-7
J9 ECS TRANSACTIONS
PY 2010
VL 33
IS 2
BP 231
EP 235
DI 10.1149/1.3485260
PG 5
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA BDK81
UT WOS:000313617900025
ER
PT S
AU Hess, DM
Mushfiq, M
Dalvi, R
Winter, R
Sampathkumaran, U
Goswami, K
Yanguas-Gil, A
Elam, JW
AF Hess, David M.
Mushfiq, Mohammed
Dalvi, Rashmi
Winter, Raymond
Sampathkumaran, Uma
Goswami, Kisholoy
Yanguas-Gil, Angel
Elam, Jeffrey W.
BE Elam, JW
DeGendt, S
VanDerStraten, O
Delabie, A
Londergan, A
Bent, SF
Roozeboom, F
TI Dye-Sensitized Solar Cells Fabricated From Atomic Layer Deposited
Photoanodes on Aerogel Scaffolds
SO ATOMIC LAYER DEPOSITION APPLICATIONS 6
SE ECS Transactions
LA English
DT Proceedings Paper
CT 6th Symposium on Atomic Layer Deposition Applications as Part of the
218th Meeting of the Electrochemical-Society (ECS)
CY OCT 10-15, 2010
CL Las Vegas, NV
SP Electrochem Soc (ECS), Dielect Sci & Technol Div, Elect & Photon, Air Liquide, Appl Mat, Cambridge NanoTech, Gelest, Qualcomm, SAFC Hitech
ID EMISSIONS
AB Dye-sensitized solar cells (DSSCs) based on mesoporous, high surface area nanocrystalline titania (TiO2) exhibiting up to 11% solar energy-conversion efficiencies are promising materials for cost-effective devices. Our objective here is to realize a cost-effective fabrication technique coupled with suitable device architecture of nanostructured DSSCs to achieve high photoconversion efficiencies. Atomic layer deposition (ALD) offers an attractive synthetic route for fabricating conformal photoanode coating materials on a nanoporous scaffold. Here, we used silica aerogels processed by doctor blading as structural scaffolds on transparent conducting oxide substrates, to promote subsequent conformal growth of thin films of TiO2 and aluminum-doped zinc oxide (AZO) by ALD. The resulting interdigitated architecture of the photoanodes can facilitate fast electron transfer. Dye sensitization of the photoanodes was accomplished using ditetrabutylammonium cis-bis(isothiocyanato) bis(2,2'-bipyridyl-4,4'-dicarboxylate) ruthenium(II) ("N719", Dyesol, B2 dye) and assembled into photocells using liquid electrolytes. Co-sensitization with a second dye was found to increase the photon absorption and cell efficiency.
C1 [Hess, David M.; Mushfiq, Mohammed; Dalvi, Rashmi; Winter, Raymond; Sampathkumaran, Uma; Goswami, Kisholoy] InnoSense LLC, 2531 W 237th St,Ste 127, Torrance, CA 90505 USA.
[Yanguas-Gil, Angel; Elam, Jeffrey W.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Hess, DM (reprint author), InnoSense LLC, 2531 W 237th St,Ste 127, Torrance, CA 90505 USA.
RI Yanguas-Gil, Angel/G-9630-2011
OI Yanguas-Gil, Angel/0000-0001-8207-3825
FU Department of Energy Grant [DE-SC0003370]
FX This work was carried out through funding from the Department of Energy
Grant # DE-SC0003370.
NR 16
TC 1
Z9 1
U1 1
U2 12
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-171-7
J9 ECS TRANSACTIONS
PY 2010
VL 33
IS 2
BP 245
EP 257
DI 10.1149/1.3485262
PG 13
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA BDK81
UT WOS:000313617900027
ER
PT S
AU Yanguas-Gil, A
Elam, JW
AF Yanguas-Gil, Angel
Elam, Jeffrey W.
BE Elam, JW
DeGendt, S
VanDerStraten, O
Delabie, A
Londergan, A
Bent, SF
Roozeboom, F
TI Growth rate control in ALD by surface functionalization: alkyl alcohols
on metal oxides
SO ATOMIC LAYER DEPOSITION APPLICATIONS 6
SE ECS Transactions
LA English
DT Proceedings Paper
CT 6th Symposium on Atomic Layer Deposition Applications as Part of the
218th Meeting of the Electrochemical-Society (ECS)
CY OCT 10-15, 2010
CL Las Vegas, NV
SP Electrochem Soc (ECS), Dielect Sci & Technol, Elect & Photon, Air Liquide, Appl Mat, Cambridge NanoTech, Gelest, Qualcomm, SAFC Hitech
ID ATOMIC LAYER DEPOSITION; ADSORPTION; ETHANOL; EPITAXY; FILMS
AB In this work we explore the effect that alkyl alcohols (ROH) have on the saturation growth rate during the ALD of metal oxides. The traditional dosing sequence for metal oxide ALD is: M/O/M/O center dot center dot center dot where M is the metal precursor and O is the oxygen source. We find that by dosing organic molecules prior to dosing the metal precursor (e.g. ROH/M/O center dot center dot center dot) we can modify the surface chemistry and control the saturation growth rate. We present results describing the effect of alkyl alcohols (R=Me, Et, iPr) using H2O as the oxygen source and the metal precursors Ti(iPr)(4) and TiCl4 for TiO2 ALD, TMA for Al2O3 ALD, and DEZ for ZnO ALD. The ability to tune the saturation growth rate by modifying the surface chemistry can be of great utility for the ALD of doped materials where a homogenous distribution of dopants at a low concentration is desired. We show that this approach lowers the resistivity of Aldoped ZnO and allows the growth of low resistivity films at higher TMA/DEZ cycle ratios.
C1 [Yanguas-Gil, Angel; Elam, Jeffrey W.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Yanguas-Gil, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RI Yanguas-Gil, Angel/G-9630-2011
OI Yanguas-Gil, Angel/0000-0001-8207-3825
NR 10
TC 5
Z9 5
U1 0
U2 14
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-171-7
J9 ECS TRANSACTIONS
PY 2010
VL 33
IS 2
BP 333
EP 342
DI 10.1149/1.3485269
PG 10
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA BDK81
UT WOS:000313617900034
ER
PT J
AU Kook, S
Pickett, LM
AF Kook, Sanghoon
Pickett, Lyle M.
TI EFFECT OF AMBIENT TEMPERATURE AND DENSITY ON SHOCK WAVE GENERATION IN A
DIESEL ENGINE
SO ATOMIZATION AND SPRAYS
LA English
DT Article
DE shock wave; diesel spray; speed of sound; ambient temperature; ambient
density
AB Shock-wave generation by high-pressure diesel sprays has been investigated over a range of ambient temperature and density in a high-temperature, high-pressure optical vessel. In the past, shock wave generation was considered unlikely for diesel sprays because of the high-temperature environment and low fuel injection pressure. However, recent trends toward very high injection pressures, and earlier (lower temperature) injection in modern diesel engines, can potentially produce shock waves. Through high-speed schlieren imaging, injection-resolved shock waves have been captured at injection pressures of 150 MPa. Marked changes in shock wave generation are shown to occur with variation in ambient conditions that are experienced in an engine, including the following: (1) Shock waves diminish in strength with increasing temperature and eventually disappear due to the increasing speed of sound. (2) At low ambient temperature, high-density ambient gas quickly decelerates the tip of the spray, causing shock waves to detach from the spray. (3) At high ambient temperature, the high density decelerates the spray tip during injection-rate ramp-up before the spray reaches the speed of sound, such that no shock waves are produced.
C1 [Kook, Sanghoon] Univ New S Wales, Sch Mech & Mfg Engn, Sydney, NSW 2052, Australia.
[Pickett, Lyle M.] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Kook, S (reprint author), Univ New S Wales, Sch Mech & Mfg Engn, Sydney, NSW 2052, Australia.
EM s.kook@unsw.edu.au
RI Kook, Sanghoon/C-5372-2009
OI Kook, Sanghoon/0000-0002-7620-9789
FU U.S. Department of Energy, Office of Vehicle Technologies
[DE-AC04-94AL85000]
FX Support for this research was provided by the U.S. Department of Energy,
Office of Vehicle Technologies. The research was performed at the
Combustion Research Facility, Sandia National Laboratories, Livermore,
California. Sandia is a multiprogram laboratory operated by Sandia
Corporation, a Lockheed Martin Company, for the United States Department
of Energy's National Nuclear Security Administration under Contract No.
DE-AC04-94AL85000. The authors thank Mark Musculus for providing
transient jet entrainment model and Dave Cicone for the lab support.
NR 16
TC 2
Z9 2
U1 2
U2 9
PU BEGELL HOUSE INC
PI REDDING
PA 50 CROSS HIGHWAY, REDDING, CT 06896 USA
SN 1044-5110
J9 ATOMIZATION SPRAY
JI Atom. Sprays
PY 2010
VL 20
IS 2
BP 163
EP 175
PG 13
WC Engineering, Multidisciplinary; Engineering, Chemical; Engineering,
Mechanical; Materials Science, Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA 590AN
UT WOS:000277195600005
ER
PT J
AU Abraham, J
Pickett, LM
AF Abraham, John
Pickett, Lyle M.
TI COMPUTED AND MEASURED FUEL VAPOR DISTRIBUTION IN A DIESEL SPRAY
SO ATOMIZATION AND SPRAYS
LA English
DT Article; Proceedings Paper
CT ICLASS Conference 2008
CY JUL, 2009
CL Vail, CO
DE diesel spray; vaporizing sprays; spray models; multidimensional models;
Rayleigh scattering
ID TRANSIENT GAS JETS; MODEL; PENETRATION; ATOMIZATION; DISPERSION; ENGINE
AB There is limited quantitative experimental data on fuel vapor concentrations in high-pressure vaporizing full-cone sprays injected into diesel engines. As a result, the accuracy of multidimensional models, which are routinely employed to compute such sprays, has not been quantitatively assessed. In this work, quantitative fuel vapor concentrations obtained from multidimensional computations of a diesel spray with three models are compared with measured concentrations in the vapor-phase portion downstream of liquid drop vaporization. The three models employed are a Lagrangian-drop Eulerian-fluid (LDEF) spray model, a gas jet model, and a virtual-liquid source (VLS) model. Comparison of the vapor fraction along the axial centerline during the transient development of the spray shows that the computed values are generally lower than the measured values, and the leading edge of the computed profiles shows shallower gradients of vapor fraction than in the measured spray. In the case of radial distribution, the peak values of measured and computed vapor fractions agree within 20% when the profiles are quasi-steady. The three models show similar agreement close to the orifice, but the LDEF model shows the better agreement farther downstream at quasi-steady state. During transient development, there is greater disagreement between the computed and measured profiles. The computed width of the vapor phase of the spray is generally larger than the measured one, although the half-widths show agreement within 10%. In general, the gas jet and VLS vapor fraction values are within 5% of each other at the centerline during transient development but differ more at the edge of the spray.
C1 [Abraham, John] Purdue Univ, Sch Mech Engn, Maurice J Zucrow Labs, W Lafayette, IN 47907 USA.
[Pickett, Lyle M.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
RP Abraham, J (reprint author), Purdue Univ, Sch Mech Engn, Maurice J Zucrow Labs, W Lafayette, IN 47907 USA.
EM jabraham@purdue.edu
NR 30
TC 23
Z9 23
U1 1
U2 8
PU BEGELL HOUSE INC
PI REDDING
PA 50 CROSS HIGHWAY, REDDING, CT 06896 USA
SN 1044-5110
J9 ATOMIZATION SPRAY
JI Atom. Sprays
PY 2010
VL 20
IS 3
BP 241
EP 250
PG 10
WC Engineering, Multidisciplinary; Engineering, Chemical; Engineering,
Mechanical; Materials Science, Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA 605ZT
UT WOS:000278390200005
ER
PT J
AU Liu, J
Vu, H
Yoon, SS
Jepsen, R
Aguilar, G
AF Liu, Jie
Vu, Henry
Yoon, Sam S.
Jepsen, Richard
Aguilar, Guillermo
TI SPLASHING PHENOMENA DURING LIQUID DROPLET IMPACT
SO ATOMIZATION AND SPRAYS
LA English
DT Article
DE droplet; impact; splash; instability; splash threshold
ID WATER DROPS; DRY SURFACE; CHARGE SEPARATION; SOLID SUBSTRATE; WETTED
SURFACES; STEEL PLATE; DEFORMATION; IMPINGEMENT; SIMULATIONS;
INSTABILITY
AB Splashing is a phenomenon often observed during liquid droplet impact onto a solid surface. The threshold of splashing is known to be related to droplet size, impact velocity, and physical properties of the liquid, but the mechanisms that initiate splashing are not understood completely. In accordance with the Kelvin-Helmholtz (K-H) instability analysis, recent studies have shown that ambient gas density has a significant effect on the threshold and trajectory of splashing. In this study, the effects of droplet velocity, impact angle, and ambient gas pressure (or density) on the threshold of splashing and the motion of the ambient gas surrounding the droplet were examined. Experimental observations of splashing were carried out with a droplet of 1.7 mm in diameter, while varying droplet velocity, impact angle, and ambient pressure. An empirical correlation was derived using our and other published data to determine the threshold of splashing based on the aforementioned parameters. Also, a numerical simulation using the volume of fluid method was carried out to calculate the gas velocities surrounding the droplet during impact. The results of this model gave supportive evidence that K-H instability is a suitable instability theory that helps explain the splash phenomenon with consideration of the gas motion surrounding the droplet.
C1 [Liu, Jie; Vu, Henry; Aguilar, Guillermo] Univ Calif Riverside, Dept Mech Engn, Riverside, CA 92521 USA.
[Yoon, Sam S.] Korea Univ, Dept Mech Engn, Seoul 136713, South Korea.
[Jepsen, Richard] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Aguilar, G (reprint author), Univ Calif Riverside, Dept Mech Engn, Riverside, CA 92521 USA.
EM skyoon@korea.ac.kr; gaguilar@engr.ucr.edu
NR 38
TC 22
Z9 22
U1 4
U2 26
PU BEGELL HOUSE INC
PI DANBURY
PA 50 NORTH ST, DANBURY, CT 06810 USA
SN 1044-5110
EI 1936-2684
J9 ATOMIZATION SPRAY
JI Atom. Sprays
PY 2010
VL 20
IS 4
BP 297
EP 310
PG 14
WC Engineering, Multidisciplinary; Engineering, Chemical; Engineering,
Mechanical; Materials Science, Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA 611SM
UT WOS:000278842300003
ER
PT B
AU Pakin, S
AF Pakin, Scott
BE Gavrilovska, A
TI High Performance Interconnects for Massively Parallel Systems
SO ATTAINING HIGH PERFORMANCE COMMUNICATIONS: A VERTICAL APPROACH
LA English
DT Article; Book Chapter
C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Pakin, S (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4200-9313-1; 978-1-4200-9308-7
PY 2010
BP 1
EP 23
PG 23
WC Engineering, Electrical & Electronic; Telecommunications
SC Engineering; Telecommunications
GA BC3DM
UT WOS:000351532800002
ER
PT B
AU Panda, DK
Balaji, P
Sur, S
Koop, MJ
AF Panda, Dhabaleswar K.
Balaji, Pavan
Sur, Sayantan
Koop, Matthew Jon
BE Gavrilovska, A
TI Commodity High Performance Interconnects
SO ATTAINING HIGH PERFORMANCE COMMUNICATIONS: A VERTICAL APPROACH
LA English
DT Article; Book Chapter
C1 [Panda, Dhabaleswar K.; Koop, Matthew Jon] Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA.
[Balaji, Pavan] Argonne Natl Lab, Argonne, IL 60439 USA.
[Sur, Sayantan] IBM TJ Watson Res Ctr, Hawthorne, NY USA.
RP Panda, DK (reprint author), Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4200-9313-1; 978-1-4200-9308-7
PY 2010
BP 25
EP 60
PG 36
WC Engineering, Electrical & Electronic; Telecommunications
SC Engineering; Telecommunications
GA BC3DM
UT WOS:000351532800003
ER
PT B
AU Feng, WC
Balaji, P
AF Feng, Wu-chun
Balaji, Pavan
BE Gavrilovska, A
TI Ethernet vs. EtherNOT
SO ATTAINING HIGH PERFORMANCE COMMUNICATIONS: A VERTICAL APPROACH
LA English
DT Article; Book Chapter
C1 [Feng, Wu-chun] Virginia Tech, Dept Comp Sci, Blacksburg, VA 24060 USA.
[Feng, Wu-chun] Virginia Tech, Dept Elect & Comp Engn, Blacksburg, VA USA.
[Balaji, Pavan] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Feng, WC (reprint author), Virginia Tech, Dept Comp Sci, Blacksburg, VA 24060 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4200-9313-1; 978-1-4200-9308-7
PY 2010
BP 61
EP 83
PG 23
WC Engineering, Electrical & Electronic; Telecommunications
SC Engineering; Telecommunications
GA BC3DM
UT WOS:000351532800004
ER
PT B
AU Underwood, K
Brightwell, R
Hemmert, S
AF Underwood, Keith
Brightwell, Ron
Hemmert, Scott
BE Gavrilovska, A
TI Network Interfaces for High Performance Computing
SO ATTAINING HIGH PERFORMANCE COMMUNICATIONS: A VERTICAL APPROACH
LA English
DT Article; Book Chapter
C1 [Underwood, Keith] Intel Corp, Albuquerque, NM USA.
[Brightwell, Ron; Hemmert, Scott] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Underwood, K (reprint author), Intel Corp, Albuquerque, NM USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4200-9313-1; 978-1-4200-9308-7
PY 2010
BP 113
EP 147
PG 35
WC Engineering, Electrical & Electronic; Telecommunications
SC Engineering; Telecommunications
GA BC3DM
UT WOS:000351532800006
ER
PT B
AU Brightwell, R
Underwood, K
AF Brightwell, Ron
Underwood, Keith
BE Gavrilovska, A
TI Network Programming Interfaces for High Performance Computing
SO ATTAINING HIGH PERFORMANCE COMMUNICATIONS: A VERTICAL APPROACH
LA English
DT Article; Book Chapter
C1 [Brightwell, Ron] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Underwood, Keith] Intel Corp, Albuquerque, NM USA.
RP Brightwell, R (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4200-9313-1; 978-1-4200-9308-7
PY 2010
BP 149
EP 167
PG 19
WC Engineering, Electrical & Electronic; Telecommunications
SC Engineering; Telecommunications
GA BC3DM
UT WOS:000351532800007
ER
PT B
AU Oldfield, RA
Kordenbrock, T
Widener, P
AF Oldfield, Ron A.
Kordenbrock, Todd
Widener, Patrick
BE Gavrilovska, A
TI Data-Movement Approaches for HPC Storage Systems
SO ATTAINING HIGH PERFORMANCE COMMUNICATIONS: A VERTICAL APPROACH
LA English
DT Article; Book Chapter
C1 [Oldfield, Ron A.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Kordenbrock, Todd] Hewlett Packard Corp, Albuquerque, NM USA.
[Widener, Patrick] Univ New Mexico, Albuquerque, NM 87131 USA.
RP Oldfield, RA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
NR 0
TC 1
Z9 1
U1 0
U2 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4200-9313-1; 978-1-4200-9308-7
PY 2010
BP 329
EP 351
PG 23
WC Engineering, Electrical & Electronic; Telecommunications
SC Engineering; Telecommunications
GA BC3DM
UT WOS:000351532800015
ER
PT J
AU Fish, RH
AF Fish, Richard H.
TI A Bioorganometallic Chemistry Overview: From Cytochrome P450 Enzyme
Metabolism of Organotin Compounds to Organorhodium-Hydroxytamoxifen
Complexes with Potential Anti-Cancer Properties; A 37 Year Perspective
at the Interface of Organometallic Chemistry and Biology
SO AUSTRALIAN JOURNAL OF CHEMISTRY
LA English
DT Review
ID AROMATIC AMINO-ACID; NONCOVALENT PI-PI; CYCLIC TRIMER HOSTS; MOLECULAR
RECOGNITION; 1,4-NADH DERIVATIVES; CYCLOHEXYLTRIPHENYLTIN COMPOUNDS;
REGIOSELECTIVE REDUCTION; HYDROPHOBIC INTERACTIONS; TRIBUTYLTIN
DERIVATIVES; MECHANISTIC ASPECTS
AB A 37 year perspective on bioorganometallic chemistry studies, which included metabolism of organotin compounds with cytochrome P450 enzymes, and their biomimics; reactions of organorhodium aqua complexes with nucleobases, nucleosides, and nucleotides; supramolecular organorhodium-nucleobase complexes as hosts for aromatic amino acid and aromatic carboxylic acid guests; regioselective reduction of NAD(+) biomimics with an organorhodium hydride; tandem catalysis of an organorhodium hydride reduction to provide a 1,4-NADH biomimic for horse liver dehydrogenase stereoselective reduction of achiral ketones to chiral alcohols, and oxidation reactions with cytochrome P450 enzymes; and organorhodium-hydroxytamoxifen pharmaceuticals, will be presented. Each of these areas of bioorganometallic chemistry will be briefly discussed in this personal synopsis of the new, important, and exciting field of bioorganometallic chemistry, and its impact on metal-based drug research.
C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94708 USA.
RP Fish, RH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94708 USA.
EM rhfish@lbl.gov
FU NIH [DE AC02-05CH11231]; DOE/LBNL
FX I wish to thank all the postdoctoral and undergraduate students that
worked with me at LBNL/UCB, as well as the colleagues, that are named in
the publications, for the important contributions they made to the
Bioorganometallic Chemistry program we developed together. Special
thanks to Gerard Jaouen and Paul Dyson, who helped me initiate an
organometallic pharmaceutical program during visiting professorships in
their respective laboratories in Paris and Lausanne. Support by the
DOE/LBNL Director's Funds and the NIH (Marcos Maestre) are acknowledged
under Contract No. DE AC02-05CH11231.
NR 43
TC 26
Z9 26
U1 1
U2 10
PU CSIRO PUBLISHING
PI COLLINGWOOD
PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA
SN 0004-9425
J9 AUST J CHEM
JI Aust. J. Chem.
PY 2010
VL 63
IS 11
BP 1505
EP 1513
DI 10.1071/CH10239
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA 678HQ
UT WOS:000284065100002
ER
PT J
AU Joseph, SD
Camps-Arbestain, M
Lin, Y
Munroe, P
Chia, CH
Hook, J
van Zwieten, L
Kimber, S
Cowie, A
Singh, BP
Lehmann, J
Foidl, N
Smernik, RJ
Amonette, JE
AF Joseph, S. D.
Camps-Arbestain, M.
Lin, Y.
Munroe, P.
Chia, C. H.
Hook, J.
van Zwieten, L.
Kimber, S.
Cowie, A.
Singh, B. P.
Lehmann, J.
Foidl, N.
Smernik, R. J.
Amonette, J. E.
TI An investigation into the reactions of biochar in soil
SO AUSTRALIAN JOURNAL OF SOIL RESEARCH
LA English
DT Article; Proceedings Paper
CT 1st Conference on Asia-Pacific Biochar
CY 2009
CL Gold Coast, AUSTRALIA
DE surface charge; pyrolysis; redox; soil amendment; soil carbon; carbon
sequestration; soil organic matter; biochar-soil mineral
ID NATURAL ORGANIC-SUBSTANCES; BLACK CARBON CHAR; ADSORPTIVE PROPERTIES;
WOOD CHARCOALS; PLANT BIOMASS; PINE FORESTS; SURFACE; MINERALIZATION;
TRANSFORMATION; DEGRADATION
AB Interactions between biochar, soil, microbes, and plant roots may occur within a short period of time after application to the soil. The extent, rates, and implications of these interactions, however, are far from understood. This review describes the properties of biochars and suggests possible reactions that may occur after the addition of biochars to soil. These include dissolution-precipitation, adsorption-desorption, acid-base, and redox reactions. Attention is given to reactions occurring within pores, and to interactions with roots, microorganisms, and soil fauna. Examination of biochars (from chicken litter, greenwaste, and paper mill sludges) weathered for 1 and 2 years in an Australian Ferrosol provides evidence for some of the mechanisms described in this review and offers an insight to reactions at a molecular scale. These interactions are biochar- and site-specific. Therefore, suitable experimental trials-combining biochar types and different pedoclimatic conditions-are needed to determine the extent to which these reactions influence the potential of biochar as a soil amendment and tool for carbon sequestration.
C1 [Joseph, S. D.; Lin, Y.; Munroe, P.; Chia, C. H.] Univ NSW, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia.
[Camps-Arbestain, M.] Massey Univ, New Zealand Biochar Res Ctr, Palmerston North 4442, New Zealand.
[Hook, J.] Univ NSW, Analyt Ctr, NMR Facil, Sydney, NSW 2052, Australia.
[van Zwieten, L.; Kimber, S.] Ind & Investment NSW, Wollongbar, NSW 2477, Australia.
[Cowie, A.] Univ New England, Natl Ctr Rural Greenhouse Gas Res, Armidale, NSW 2351, Australia.
[Singh, B. P.] Ind & Investment NSW, Forest Sci Ctr, Beecroft, NSW 2119, Australia.
[Lehmann, J.] Cornell Univ, Coll Agr & Life Sci, Dept Crop & Soil Sci, Ithaca, NY 14853 USA.
[Foidl, N.] Venearth LLC, San Francisco, CA USA.
[Smernik, R. J.] Univ Adelaide, Sch Agr Food & Wine, Adelaide, SA 5000, Australia.
[Amonette, J. E.] Pacific NW Natl Lab, Richland, WA 99354 USA.
RP Joseph, SD (reprint author), Univ NSW, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia.
EM joey.stephen@gmail.com
RI Hook, James/D-6805-2011; Smernik, Ron/H-9905-2013; Lehmann,
Johannes/H-2682-2014;
OI Hook, James/0000-0002-1185-7320; Lehmann, Johannes/0000-0002-4701-2936;
Van Zwieten, Lukas/0000-0002-8832-360X; Smernik,
Ronald/0000-0001-6033-5855
NR 93
TC 245
Z9 260
U1 31
U2 377
PU CSIRO PUBLISHING
PI COLLINGWOOD
PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA
SN 0004-9573
J9 AUST J SOIL RES
JI Aust. J. Soil Res.
PY 2010
VL 48
IS 6-7
SI SI
BP 501
EP 515
DI 10.1071/SR10009
PG 15
WC Soil Science
SC Agriculture
GA 655BV
UT WOS:000282218400003
ER
PT S
AU Duffy, LD
AF Duffy, Leanne D.
BE Tanner, DB
VanBibber, KA
TI The Milky Way's Dark Matter Distribution and Consequences for Axion
Detection
SO AXIONS 2010: PROCEEDINGS OF THE INTERNATIONAL CONFERENCE
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT International Conference on Axions 2010
CY JAN 15-17, 2010
CL Gainesville, FL
SP Univ Florida, Off Provost, Univ Florida, Off Res, Univ Florida, Coll Liberal Arts & Sci, Univ Florida, Inst Fundamental Theory, Univ Florida, Inst High Energy Phys & Astrophys, Univ Florida, Dept Phys
DE axions; dark matter; Milky Way; galactic halo; Axion Dark Matter
eXperiment
ID SECONDARY INFALL; CP INVARIANCE; HALO DENSITY; SPECTRUM; UNIVERSE; EARTH
AB Signals for both direct and indirect dark matter detection depend on the phase-space distribution of dark matter. The possibility of structures with high physical density, known as caustics, has provided an opportunity to increase the discovery potential of the Axion Dark Matter eXperiment (ADMX). I discuss the formation of dark matter caustics and consequences of the caustic ring model for ADMIX.
C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Duffy, LD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
NR 22
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-0824-1
J9 AIP CONF PROC
PY 2010
VL 1274
BP 85
EP 90
DI 10.1063/1.3489563
PG 6
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BTK48
UT WOS:000287167800013
ER
PT S
AU Hagmann, C
AF Hagmann, Chris
BE Tanner, DB
VanBibber, KA
TI Axions from cosmic string and wall decay
SO AXIONS 2010: PROCEEDINGS OF THE INTERNATIONAL CONFERENCE
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT International Conference on Axions 2010
CY JAN 15-17, 2010
CL Gainesville, FL
SP Univ Florida, Off Provost, Univ Florida, Off Res, Univ Florida, Coll Liberal Arts & Sci, Univ Florida, Inst Fundamental Theory, Univ Florida, Inst High Energy Phys & Astrophys, Univ Florida, Dept Phys
DE axion; axion string; axion domain wall
ID CP CONSERVATION; UNIVERSE
AB If inflation occurred with a reheat temperature > T(PQ), axions from the decay of global axion strings and domain walls would make an important contribution to the cosmological energy density, comparable to that from vacuum misalignment. Several groups have numerically studied the evolution of axion strings and walls in the past, however substantial uncertainties remain in their contribution to the present density Omega(a,string+wall) similar to 1-100 (f(a)/10(12)GeV)(7/6), where f(a) is the axion decay constant. I will describe the numerical methods used in our simulations and show results for several string and wall configurations.
C1 Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Hagmann, C (reprint author), Lawrence Livermore Natl Lab, L-59,7000 East Ave, Livermore, CA USA.
NR 16
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-0824-1
J9 AIP CONF PROC
PY 2010
VL 1274
BP 103
EP 108
DI 10.1063/1.3489538
PG 6
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BTK48
UT WOS:000287167800016
ER
PT S
AU Afanasev, A
Baker, OK
Beard, KB
Biallas, G
Boyce, J
Hirshfield, JL
Jiang, Y
Kazakevitch, G
LaPointe, MA
Martin, A
Minarni, M
Ramdon, R
Shinn, M
Slocum, P
Szymkowiak, A
AF Afanasev, A.
Baker, O. K.
Beard, K. B.
Biallas, G.
Boyce, J.
Hirshfield, J. L.
Jiang, Y.
Kazakevitch, G.
LaPointe, M. A.
Martin, A.
Minarni, M.
Ramdon, R.
Shinn, M.
Slocum, P.
Szymkowiak, A.
BE Tanner, DB
VanBibber, KA
TI Weakly Interacting Sub-eV Particle Searches
SO AXIONS 2010: PROCEEDINGS OF THE INTERNATIONAL CONFERENCE
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT International Conference on Axioms 2010
CY JAN 15-17, 2010
CL Gainesville, FL
SP Univ Florida, Off Provost, Univ Florida, Off Res, Univ Florida, Coll Liberal Arts & Sci, Univ Florida, Inst Fundamental Theory, Univ Florida, Inst High Energy Phys & Astrophys, Univ Florida, Dept Phys
DE Dark Matter; Beyond the Standard Model; Hidden Sector
ID CP CONSERVATION; COSMOLOGY
AB We make use of the generation-regeneration or "light shining through a wall" technique in searches for optical-wavelength photons mixing with hypothetical hidden-sector paraphotons in the mass range between 10(-5) and 10(-2) electron volts for a mixing parameter greater than 10(-7) and in sensitive searches for scalar and pseudoscalar coupling of photons to light neutral bosons in the mass range of approximately 1.0 milli-electron volts and coupling strength greater than 10(-6) GeV-1 Additionally, there is an effort underway to use photons in the microwave region using this same technique to make a more sensitive measurement in the mass range of approximately 0.1 milli-electron volts. The equipment in the latter effort will be used to search for galactic halo axions in this same mass range.
C1 [Afanasev, A.; Ramdon, R.] Hampton Univ, Dept Phys, Hampton, VA 23668 USA.
[Baker, O. K.; Hirshfield, J. L.; Jiang, Y.; Kazakevitch, G.; LaPointe, M. A.; Martin, A.; Slocum, P.; Szymkowiak, A.] Yale Univ, Dept Phys, New Haven, CT 06520 USA.
[Beard, K. B.] Mutons Inc, Batavia, IL 60510 USA.
[Biallas, G.; Boyce, J.; Shinn, M.] Jefferson Lab, Free Elect Laser Div, Newport News, VA 23606 USA.
[Hirshfield, J. L.] Omega P Inc, New Haven, CT 06511 USA.
[Minarni, M.] Univ Riau UNRI, Dept Phys, Riau 28293, Indonesia.
RP Afanasev, A (reprint author), Hampton Univ, Dept Phys, Hampton, VA 23668 USA.
OI Afanasev, Andrei/0000-0003-0679-3307
FU Office of Naval Research Award [K00141]
FX The authors thank the technical staff of the Jefferson Lab Free Electron
Laser Facility, especially F. Dylla, G. Neil, G. Williams, R. Walker, D.
Douglas, S. Benson, K. Jordan, C. Hernandez-Garcia, and J. Gubeli, as
well as M.C. Long of Hampton University for their excellent support of
the LIPSS experimental program. And thanks to W. Emmit, T. Hurteau, S.
Shchelkunov, and M. Smith for excellent support at Yale. Appreciation to
US Department of Energy Office of High Energy Physics, is extended for
support of the Yale magnicon facility. Funding from the Office of Naval
Research Award K00141 is gratefully acknowledged.
NR 37
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-0824-1
J9 AIP CONF PROC
PY 2010
VL 1274
BP 163
EP +
DI 10.1063/1.3489549
PG 2
WC Astronomy & Astrophysics; Physics, Applied
SC Astronomy & Astrophysics; Physics
GA BTK48
UT WOS:000287167800026
ER
PT J
AU Elliott, J
Foster, I
Judd, K
Moyer, E
Munson, T
AF Elliott, Joshua
Foster, Ian
Judd, Kenneth
Moyer, Elisabeth
Munson, Todd
TI CIM-EARTH: Framework and Case Study
SO B E JOURNAL OF ECONOMIC ANALYSIS & POLICY
LA English
DT Article
DE general equilibrium models; dynamic trajectories; carbon leakage
ID GENERAL-EQUILIBRIUM-MODELS; INTEGRATED ASSESSMENT; CLIMATE-CHANGE;
POLICY; INVESTMENT; EMISSIONS; GROWTH; ENERGY; TRADE
AB General equilibrium models have been used for decades to obtain insights into the economic implications of policies and decisions. Despite successes, however, these economic models have substantive limitations. Many of these limitations are due to computational and methodological constraints that can be overcome by leveraging recent advances in computer architecture, numerical methods, and economics research. Motivated by these considerations, we are developing a new modeling framework: the Community Integrated Model of Economic and Resource Trajectories for Humankind (CIM-EARTH). In this paper, we describe the key features of the CIM-EARTH framework and initial implementation, detail the model instance we use for studying the impacts of a carbon tax on international trade and the sensitivity of these impacts to assumptions on the rate of change in energy efficiency and labor productivity, and present results on the extent to which carbon leakage limits global reductions in emissions for some policy scenarios.
C1 [Elliott, Joshua; Foster, Ian; Munson, Todd] Univ Chicago, Computat Inst, Chicago, IL 60637 USA.
[Elliott, Joshua; Foster, Ian; Munson, Todd] Argonne Natl Lab, Argonne, IL 60439 USA.
[Judd, Kenneth] Hoover Inst War Revolut & Peace, Stanford, CA USA.
RP Elliott, J (reprint author), Univ Chicago, Computat Inst, Chicago, IL 60637 USA.
EM jel-liott@ci.uchicago.edu; fos-ter@anl.gov; kennethjudd@mac.com;
moyer@uchicago.edu; tmun-son@mcs.anl.gov
NR 54
TC 1
Z9 1
U1 0
U2 4
PU BERKELEY ELECTRONIC PRESS
PI BERKELEY
PA 2809 TELEGRAPH AVENUE, STE 202, BERKELEY, CA 94705 USA
SN 1935-1682
J9 BE J ECON ANAL POLI
JI B E J. Econ. Anal. Policy
PY 2010
VL 10
IS 2
AR 11
PG 34
WC Economics
SC Business & Economics
GA 701PC
UT WOS:000285831900001
ER
PT S
AU Limmer, SJ
Yelton, WG
Bunker, BC
AF Limmer, S. J.
Yelton, W. G.
Bunker, B. C.
BE Dudney, N
TI Size Effects in Ni/Ni(OH)(2) Nanomaterials for Electrochemical
Capacitors
SO BATTERIES AND ENERGY TECHNOLOGY (GENERAL) - 217TH ECS MEETING
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Batteries and Energy Technology Joint General Session held
during the 217th Meeting of the Electrochemical-Society (ECS)
CY APR 25-30, 2010
CL Vancouver, CANADA
SP Electrochem Soc, Battery, Energy Technol
ID NICKEL-HYDROXIDE ELECTRODE; OXIDE; FILMS; FABRICATION; STORAGE; GROWTH;
NIO
AB Electrochemical capacitors based on redox-active metal oxides show great promise for many energy-storage applications. These materials store charge through both electric double-layer charging and faradaic reactions in the oxide. The dimensions of the oxide nanomaterials have a strong influence on the performance of such capacitors. Not just due to surface area effects, which influence the double-layer capacitance, but also through bulk electrical and ionic conductivities. Ni(OH)(2) is a prime candidate for such applications, due to low cost and high theoretical capacity. We have examined the relationship between diameter and capacity for Ni/Ni(OH)(2) nanorods. Specific capacitances of up to 511 F/g of Ni were recorded in 47 nm diameter Ni(OH)(2) nanorods.
C1 [Limmer, S. J.; Yelton, W. G.; Bunker, B. C.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Limmer, SJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
OI Limmer, Steven/0000-0001-6588-372X
NR 25
TC 0
Z9 0
U1 1
U2 7
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-56677-856-5
J9 ECS TRANSACTIONS
PY 2010
VL 28
IS 30
BP 47
EP 54
DI 10.1149/1.3505459
PG 8
WC Electrochemistry; Energy & Fuels
SC Electrochemistry; Energy & Fuels
GA BHG10
UT WOS:000325324400004
ER
PT S
AU Lu, XC
Coffey, G
Meinhardt, K
Sprenkle, V
Yang, ZG
Lemmon, JP
AF Lu, Xiaochuan
Coffey, Greg
Meinhardt, Kerry
Sprenkle, Vince
Yang, Zhenguo
Lemmon, John P.
BE Doughty, DH
Liaw, BY
Narayan, SR
Srinivasan, V
TI High Power Planar Sodium-Nickel Chloride Battery
SO BATTERIES FOR RENEWABLE ENERGY STORAGE
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Batteries for Renewable Energy Storage Held During the
217th Meeting of the Electrochemical-Society (ECS)
CY APR 25-30, 2010
CL Vancouver, CANADA
SP Electrochem Soc (ECS), Battery, Energy Technol, Ind Electrochem & Electrochem Engn
ID BETA-ALUMINA; CRYSTAL-STRUCTURE; ZEBRA BATTERIES; POLYCRYSTALLINE;
BETA''-ALUMINA
AB Sodium-beta batteries (NBBs), which are typically constructed on a thick tubular electrolyte and operate at relatively high temperatures, have a number of disadvantages such as high capital cost and performance/safety issues that limit market penetration of the technology. In this work we report a new generation NBB that utilizes a planar design. The planar design allows for a thinner electrolyte that reduces the area of specific resistance and may be operated at reduced temperatures. The lower operating temperatures would alleviate adverse temperature effects that impact cycle life and overall cost. We here present recent progress generated from planar NBB button cells, including initial cell performance, cathode design and chemistry.
C1 [Lu, Xiaochuan; Coffey, Greg; Meinhardt, Kerry; Sprenkle, Vince; Yang, Zhenguo; Lemmon, John P.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Lu, XC (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
NR 17
TC 19
Z9 20
U1 2
U2 20
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-56677-848-0
J9 ECS TRANSACTIONS
PY 2010
VL 28
IS 22
BP 7
EP 13
DI 10.1149/1.3492326
PG 7
WC Electrochemistry; Energy & Fuels
SC Electrochemistry; Energy & Fuels
GA BDH93
UT WOS:000313329400002
ER
PT J
AU Hengartner, N
AF Hengartner, Nick
TI Error analysis for small angle neutron scattering datasets using
Bayesian inference Comment on Article by Hogg et al.
SO BAYESIAN ANALYSIS
LA English
DT Editorial Material
C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Hengartner, N (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM nickh@lanl.gov
OI Hengartner, Nicolas/0000-0002-4157-134X
NR 4
TC 0
Z9 0
U1 0
U2 1
PU INT SOC BAYESIAN ANALYSIS
PI PITTSBURGH
PA CARNEGIE MELLON UNIV, DEPT STTISTICS, PITTSBURGH, PA 15213 USA
SN 1931-6690
J9 BAYESIAN ANAL
JI Bayesian Anal.
PY 2010
VL 5
IS 1
BP 35
EP 37
DI 10.1214/10-BA501A
PG 3
WC Mathematics, Interdisciplinary Applications; Statistics & Probability
SC Mathematics
GA 571UP
UT WOS:000275781600002
ER
PT J
AU Short, M
Higdon, D
Guadagnini, L
Guadagnini, A
Tartakovsky, DM
AF Short, Margaret
Higdon, Dave
Guadagnini, Laura
Guadagnini, Alberto
Tartakovsky, Daniel M.
TI Predicting Vertical Connectivity Within an Aquifer System
SO BAYESIAN ANALYSIS
LA English
DT Article
DE Markov chain Monte Carlo; Gaussian process; subjective likelihood;
spatial model
AB The subsurface environment beneath the Municipality of Bologna, Italy, is comprised of a series of alluvial deposits which constitute large and productive aquifer systems. These are separated from the shallow, free surface aquifer by a low permeability barrier called aquitard Alpha. The upper aquifer contains water that shows relevant contamination from industrial pollutants. The deep aquifers are relatively pristine and provide about 80% of all groundwater used for drinking and industrial purposes in the area of Bologna. Hence, it is imperative that planners understand where along aquitard Alpha there exists potential direct connection between the upper and the deep aquifers, which could lead to contamination of the city's key water supply well fields.
In order to better assess the existence of preferential flow paths between these aquifer systems, we carry out a statistical analysis in which the aquitard is represented as a bivariate spatial process, accounting for dependence between the two spatial components. The first process models its effective thickness. The second process is binary, modeling the presence or absence of direct vertical connections between the aquifers. This map is then cross referenced with other forms of data regarding the hydrology of the region.
C1 [Short, Margaret] Univ Alaska Fairbanks, Dept Stat, Fairbanks, AK 99775 USA.
[Higdon, Dave] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM USA.
[Guadagnini, Laura; Guadagnini, Alberto] Politecn Milan, Dipartimento Ingn Idraul Mbientale Infrastrutture, I-20133 Milan, Italy.
[Tartakovsky, Daniel M.] Univ Calif San Diego, Dept Mech & Aerosp Engn, San Diego, CA 92103 USA.
RP Short, M (reprint author), Univ Alaska Fairbanks, Dept Stat, Fairbanks, AK 99775 USA.
EM dhigdon@lanl.gov; laura.guadagnini@polimi.it;
alberto.guadagnini@polimi.it; dmt@ucsd.edu
RI Tartakovsky, Daniel/E-7694-2013
FU European Commission [EVK1-CT-1999-00041-W-SAHaRA]; Marie Curie Initial
Training Network "Towards Improved Groundwater Vulnerability Assessment
(IMVUL)"
FX Part of the work, which includes stratigraphic and sedimentological data
assimilation, was performed under the auspices of the European
Commission (contract EVK1-CT-1999-00041-W-SAHaRA). Financial support by
the Marie Curie Initial Training Network "Towards Improved Groundwater
Vulnerability Assessment (IMVUL)" is gratefully acknowledged.
NR 15
TC 3
Z9 3
U1 3
U2 12
PU INT SOC BAYESIAN ANALYSIS
PI PITTSBURGH
PA CARNEGIE MELLON UNIV, DEPT STTISTICS, PITTSBURGH, PA 15213 USA
SN 1931-6690
J9 BAYESIAN ANAL
JI Bayesian Anal.
PY 2010
VL 5
IS 3
BP 557
EP 581
DI 10.1214/10-BA522
PG 25
WC Mathematics, Interdisciplinary Applications; Statistics & Probability
SC Mathematics
GA 652ZP
UT WOS:000282051600009
ER
PT J
AU Lawrence, E
Higdon, DM
AF Lawrence, Earl
Higdon, David M.
TI Galaxy Formation: a Bayesian Uncertainty Analysis Comment
SO BAYESIAN ANALYSIS
LA English
DT Editorial Material
C1 [Lawrence, Earl; Higdon, David M.] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM USA.
RP Lawrence, E (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM USA.
EM earl@lanl.gov; dhigdon@lanl.gov
NR 3
TC 0
Z9 0
U1 1
U2 2
PU INT SOC BAYESIAN ANALYSIS
PI PITTSBURGH
PA CARNEGIE MELLON UNIV, DEPT STTISTICS, PITTSBURGH, PA 15213 USA
SN 1931-6690
J9 BAYESIAN ANAL
JI Bayesian Anal.
PY 2010
VL 5
IS 4
BP 683
EP 689
DI 10.1214/10-BA524C
PG 7
WC Mathematics, Interdisciplinary Applications; Statistics & Probability
SC Mathematics
GA 699GN
UT WOS:000285652000004
ER
PT S
AU Suthar, KJ
Mancini, DC
Ghantasala, MK
AF Suthar, Kamlesh J.
Mancini, Derrick C.
Ghantasala, Muralidhar K.
BE Ounaies, Z
Li, J
TI Simulation of the effect of different parameters on the swelling
characteristics of a pH-sensitive hydrogel
SO BEHAVIOR AND MECHANICS OF MULTIFUNCTIONAL MATERIALS AND COMPOSITES 2010
SE Proceedings of SPIE-The International Society for Optical Engineering
LA English
DT Proceedings Paper
CT Conference on Behavior and Mechanics of Multifunctional and Composite
2010
CY MAR 08-11, 2010
CL San Diego, CA
SP SPIE, Amer Soc Mech Engineers
DE Hydrogel; pH sensitive hydrogel; COMSOL simulation; Nernst-Planck
Poisson's Equation; Swelling behavior modeling; Non linear partial
differential equations; fixed charge density
ID FLOW-CONTROL; STATISTICAL-MECHANICS; RESPONSIVE HYDROGELS;
ELECTRIC-FIELD; GELS; KINETICS; DEFORMATION; ACTUATORS; BEHAVIOR;
STIMULUS
AB Hydrogels are 3-D network polymeric materials that exhibit a large volume phase-transition due to a of change in their environment so that the response causes the hydrogel to swell or shrink. Since hydrogels have been found to be useful for chemical sensing and delivery, there is a growing interest in their use for medicine. This, requires a thorough understanding of the hydrogels characteristic response to pH. The hydrogel response can be explained by various physical equations which are often challenging to solve. We discuss the simulation of such phase-transitions in steady-state conditions emphasizing the response to solvent pH and other environmental stimuli. We demonstrate a method for simulating pH response of hydrogels and describe numerical model and its implementation in detail. Though a few models have been developed for simulation of these hydrogel characteristics, these have been based on custom programs implemented in individual laboratories and often not generally accessible. Hence, our modeling effort is implemented using the generic finite element software COMSOL and the method can be used with any software having similar capabilities. The effect of buffer solution concentration, fixed charge density, the solution pH on the swelling characteristics are studied. Results are compared with published experimental data.
C1 [Suthar, Kamlesh J.; Mancini, Derrick C.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Ghantasala, MK (reprint author), Western Michigan Univ, Dept Mech & Aeronaut Engn, 1903 W Michigan Ave, Kalamazoo, MI 49008 USA.
EM suthar@anl.gov; mancini@anl.gov; m.ghantasala@wmich.edu
NR 31
TC 0
Z9 0
U1 2
U2 12
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-8059-0
J9 P SOC PHOTO-OPT INS
PY 2010
VL 7644
AR 764418
DI 10.1117/12.849138
PG 10
WC Materials Science, Multidisciplinary; Mechanics; Materials Science,
Composites; Optics
SC Materials Science; Mechanics; Optics
GA BSS31
UT WOS:000285624700028
ER
PT S
AU Liao, CH
Quinlan, DJ
Panas, T
de Supinski, BR
AF Liao, Chunhua
Quinlan, Daniel J.
Panas, Thomas
de Supinski, Bronis R.
BE Sato, M
Hanawa, T
Muller, MS
Chapman, BM
De Supinski, BR
TI A ROSE-Based OpenMP 3.0 Research Compiler Supporting Multiple Runtime
Libraries
SO BEYOND LOOP LEVEL PARALLELISM IN OPENMP: ACCELERATORS, TASKING AND MORE,
PROCEEDINGS
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 6th International Workshop on OpenMP 2010
CY JUN 14-16, 2010
CL Tsukuba, JAPAN
ID ABSTRACTIONS
AB OpenMP is a popular and evolving programming model for shared-memory platforms. It relies on compilers to target modern hardware architectures for optimal performance. A variety of extensible and robust research compilers are key to OpenMP's sustainable success in the future. In this paper, we present our efforts to build an OpenMP 3.0 research compiler for C, C++, and Fortran using the ROSE source-to-source compiler framework. Our goal is to support OpenMP research for ourselves and others. We have extended ROSE's internal representation to handle all OpenMP 3.0 constructs, thus facilitating experimenting with them. Since OpenMP research is often complicated by the tight coupling of the compiler translation and the runtime system, we present. a set of rules to define a common OpenMP runtime library (XOMP) on top of multiple runtime libraries. These rules additionally define how to build a set of translations targeting XOMP. Our work demonstrates how to reuse OpenMP translations across different runtime libraries. This work simplifies OpenMP research by decoupling the problematic dependence between the compiler translations and the runtime libraries. We present an evaluation of our work by demonstrating an analysis tool for OpenMP correctness. We also show how XOMP can be defined using both GOMP and Omni. Our comparative performance results against other OpenMP compilers demonstrate that our flexible runtime support does not incur additional overhead.
C1 [Liao, Chunhua; Quinlan, Daniel J.; Panas, Thomas; de Supinski, Bronis R.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA.
RP Liao, CH (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA.
EM liao6@llnl.gov; dquinlan@llnl.gov; panas2@llnl.gov; desupinskii@llnl.gov
NR 17
TC 15
Z9 15
U1 0
U2 1
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-642-13216-2
J9 LECT NOTES COMPUT SC
PY 2010
VL 6132
BP 15
EP 28
PG 14
WC Computer Science, Hardware & Architecture; Computer Science, Theory &
Methods
SC Computer Science
GA BQA04
UT WOS:000280465900002
ER
PT B
AU Eggleton, PP
AF Eggleton, Peter P.
BE Prsa, A
Zejda, M
TI Evolution of Very Close Binaries of Low Mass
SO BINARIES - KEY TO COMPREHENSION OF THE UNIVERSE
SE Astronomical Society of the Pacific Conference Series
LA English
DT Proceedings Paper
CT International Conference on Binaries - Key to the Comprehension of the
Universe
CY JUN 08-12, 2009
CL Masaryk Univ, Dept Theoret Phys & Astrophys, Brno, CZECH REPUBLIC
HO Masaryk Univ, Dept Theoret Phys & Astrophys
ID COMPONENTS; ERIDANI
AB Binaries of low total mass (say 1 - 3 M(circle dot)) and very short period (say less than or similar to 4d) are subject to a number of evolutionary processes, such as nuclear evolution, Roche-Lobe overflow, mass loss by stellar wind enhanced by rapid rotation, angular momentum loss by stellar wind with magnetic braking and tidal friction, mass transfer in contact (potentially in either direction), and heat transport from one component to the other during contact. Unfortunately all of these phenomena can be expected to occur on something like the same timescale. This makes it especially difficult to tie a particular system to a particular set of evolutionary processes.
Theory suggests that very close binaries should appear in four morphological forms: detached binaries, semidetached binaries in which the more massive component is the one that fills its Roche lobe (reverse Algols), semidetached binaries in which the less massive component is the one that fills its Roche lobe (normal Algols), and contact, or, as some would say, overcontact binaries, where both components overfill their Roche lobes up to the same equipotential surface. This is not to say that perhaps some other configuration may be important, but I am not sure that any has yet been put forward that is incontrovertible.
I have developed an evolutionary code in which the two components are solved simultaneously, and subject in principle to all six of the processes in the first paragraph. All four morphological forms are achievable by the code, as the physics demands. The code is still preliminary, partly at least because of the difficulty of quantifying all six processes. I will illustrate some possibly peculiar evolutionary scenarios that can emerge; but I will mainly argue, on the basis of observed data from a variety of systems, that it is indeed necessary to include all these processes, and not, for example, to ignore mass loss by stellar wind by claiming that it cannot be strong enough to be significant.
C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Eggleton, PP (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM eggleton1@llnl.gov
NR 15
TC 0
Z9 0
U1 0
U2 0
PU ASTRONOMICAL SOC PACIFIC
PI SAN FRANCISCO
PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA
BN 978-1-58381-750-6
J9 ASTR SOC P
PY 2010
VL 435
BP 151
EP 160
PG 10
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA BUO04
UT WOS:000289880000041
ER
PT B
AU Kisseleva-Eggleton, L
Eggleton, PP
AF Kisseleva-Eggleton, L.
Eggleton, P. P.
BE Prsa, A
Zejda, M
TI Kozai Cycles and Tidal Friction
SO BINARIES - KEY TO COMPREHENSION OF THE UNIVERSE
SE Astronomical Society of the Pacific Conference Series
LA English
DT Proceedings Paper
CT International Conference on Binaries - Key to the Comprehension of the
Universe
CY JUN 08-12, 2009
CL Masaryk Univ, Dept Theoret Phys & Astrophys, Brno, CZECH REPUBLIC
HO Masaryk Univ, Dept Theoret Phys & Astrophys
ID BINARIES; STARS; SYSTEMS; ORIGIN
AB Several studies in the last three years indicate that close binaries, i.e. those with periods of less than or similar to 3d, are very commonly found to have a third body in attendance. We argue that this proves that the third body is necessary in order to make the inner period so short, and further argue that the only reasonable explanation is that the third body causes shrinkage of the inner period, from perhaps a week or more to the current short period, by means of the combination of Kozai cycles and tidal friction (KCTF). In addition, once KCTF has produced a rather close binary, magnetic braking also combined with tidal friction (MBTF) can decrease the inner orbit further, to the formation of a contact binary or even a merged single star.
Some of the the products of KCTF that have been suggested, either by others or by us, are W UMa binaries, Blue Stragglers, X-ray active BY Dra stars, and short-period Algols. We also argue that some components of wide binaries are actually merged remnants of former close inner pairs. This may include such objects as rapidly rotating dwarfs (AB Dor, BO Mic) and some (but not all) Be stars.
C1 [Kisseleva-Eggleton, L.] Express Coll, 6601 Shellmound St, Emeryville, CA 94608 USA.
[Eggleton, P. P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Kisseleva-Eggleton, L (reprint author), Express Coll, 6601 Shellmound St, Emeryville, CA 94608 USA.
EM lkisseleva@expression.edu; eggleton1@llnl.gov
NR 14
TC 4
Z9 4
U1 0
U2 0
PU ASTRONOMICAL SOC PACIFIC
PI SAN FRANCISCO
PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA
BN 978-1-58381-750-6
J9 ASTR SOC P
PY 2010
VL 435
BP 169
EP +
PG 2
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA BUO04
UT WOS:000289880000044
ER
PT S
AU Sathitsuksanoh, N
Zhu, Z
Rollin, J
Zhang, YHP
AF Sathitsuksanoh, N.
Zhu, Z.
Rollin, J.
Zhang, Y-H P.
BE Waldron, K
TI Solvent fractionation of lignocellulosic biomass
SO BIOALCOHOL PRODUCTION: BIOCHEMICAL CONVERSION OF LIGNOCELLULOSIC BIOMASS
SE Woodhead Publishing Series in Energy
LA English
DT Article; Book Chapter
DE biomass; cellulosic ethanol; cellulose solvent; COSLIF; enzymatic
cellulose hydrolysis; hemicellulose; lignin; lignocellulose
fractionation
ID TRICHODERMA-REESEI CELLULASE; DILUTE-SULFURIC-ACID; DIETARY
MANNAN-OLIGOSACCHARIDES; ENZYMATIC-HYDROLYSIS; CORN STOVER; IONIC
LIQUIDS; PRETREATMENT TECHNOLOGIES; SUPRAMOLECULAR STRUCTURE; INDUSTRIAL
APPLICATIONS; CELLOBIOHYDROLASE-I
AB Effectively breaking lignocellulose recalcitrance, releasing the locked polymeric sugars and coutilization of lignocellulose components is the largest technical and economical challenge for the emerging bioeconomy. Cellulose solvent- and organic solvent-based lignocellulose fractionation (COSLIF), has shown to effectively fractionate lignocellulose under modest reaction conditions. The resulting solids, amorphous cellulose, from corn stover, switchgrass, common reed, poplar, and hemp herds, showed high glucan digestibilities and fast enzymatic hydrolysis rates. Utilization of co-products fractionated from lignocellulose (e.g., lignin, acetic acid, and hemicellulose) would greatly increase overall potential revenues of the future biorefineries.
C1 [Sathitsuksanoh, N.; Zhang, Y-H P.] Virginia Polytech Inst & State Univ, ICTAS, Blacksburg, VA 24061 USA.
[Zhang, Y-H P.] DOE BoiEnergy Sci Ctr BESC, Oak Ridge, TN 37831 USA.
[Sathitsuksanoh, N.; Zhu, Z.; Rollin, J.; Zhang, Y-H P.] Virginia Polytech Inst & State Univ, Dept Biol Syst Engn, Blacksburg, VA 24061 USA.
RP Zhang, YHP (reprint author), Virginia Polytech Inst & State Univ, ICTAS, Blacksburg, VA 24061 USA.
EM ypzhang@vt.edu
NR 74
TC 1
Z9 1
U1 0
U2 5
PU WOODHEAD PUBL LTD
PI CAMBRIDGE
PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND
SN 2044-9364
BN 978-1-84569-510-1
J9 WOODHEAD PUBL SER EN
PY 2010
IS 3
BP 122
EP 140
DI 10.1533/9781845699611.1.122
D2 10.1533/9781845699611
PG 19
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA BRP69
UT WOS:000283347500005
ER
PT J
AU Vesala, T
Launiainen, S
Kolari, P
Pumpanen, J
Sevanto, S
Hari, P
Nikinmaa, E
Kaski, P
Mannila, H
Ukkonen, E
Piao, SL
Ciais, P
AF Vesala, T.
Launiainen, S.
Kolari, P.
Pumpanen, J.
Sevanto, S.
Hari, P.
Nikinmaa, E.
Kaski, P.
Mannila, H.
Ukkonen, E.
Piao, S. L.
Ciais, P.
TI Autumn temperature and carbon balance of a boreal Scots pine forest in
Southern Finland
SO BIOGEOSCIENCES
LA English
DT Article
ID NET PRIMARY PRODUCTION; CO2 EXCHANGE; PLANT RESPIRATION; SOIL
RESPIRATION; MODEL; FLUXES; PHOTOSYNTHESIS; ECOSYSTEM; ACCLIMATION;
DEPENDENCE
AB We analyzed the dynamics of carbon balance components: gross primary production (GPP) and total ecosystem respiration (TER), of a boreal Scots pine forest in Southern Finland. The main focus is on investigations of environmental drivers of GPP and TER and how they affect the inter-annual variation in the carbon balance in autumn (September-December). We used standard climate data and CO(2) exchange measurements collected by the eddy covariance (EC) technique over 11 years. EC data revealed that increasing autumn temperature significantly enhances TER: the temperature sensitivity was 9.5 gC m(-2) degrees C(-1) for the period September-October (early autumn when high radiation levels still occur) and 3.8 gC m(-2) degrees C(-1) for November-December (late autumn with suppressed radiation level). The cumulative GPP was practically independent of the temperature in early autumn. In late autumn, air temperature could explain part of the variation in GPP but the temperature sensitivity was very weak, less than 1 gC m(-2) degrees C(-1). Two models, a stand photosynthesis model (COCA) and a global vegetation model (ORCHIDEE), were used for estimating stand GPP and its sensitivity to the temperature. The ORCHIDEE model was tested against the observations of GPP derived from EC data. The stand photosynthesis model COCA predicted that under a predescribed 3-6 degrees C temperature increase, the temperature sensitivity of 4-5 gC m(-2) degrees C(-1) in GPP may appear in early autumn. The analysis by the ORCHIDEE model revealed the model sensitivity to the temporal treatment of meteorological forcing. The model predictions were similar to observed ones when the site level 1/2-hourly time step was applied, but the results calculated by using daily meteorological forcing, interpolated to 1/2-hourly time step, were biased. This is due to the nonlinear relationship between the processes and the environmental factors.
C1 [Vesala, T.; Launiainen, S.] Univ Helsinki, Dept Phys, FIN-00014 Helsinki, Finland.
[Kolari, P.; Pumpanen, J.; Hari, P.; Nikinmaa, E.] Univ Helsinki, Dept Forest Ecol, FIN-00014 Helsinki, Finland.
[Sevanto, S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Kaski, P.; Ukkonen, E.] Univ Helsinki, Dept Comp Sci, FIN-00014 Helsinki, Finland.
[Kaski, P.; Mannila, H.; Ukkonen, E.] Univ Helsinki, HIIT, FIN-00014 Helsinki, Finland.
[Piao, S. L.; Ciais, P.] UMR CEA CNRS, LSCE, F-91191 Gif Sur Yvette, France.
[Piao, S. L.] Peking Univ, Dept Ecol, Beijing 100871, Peoples R China.
RP Vesala, T (reprint author), Univ Helsinki, Dept Phys, POB 48, FIN-00014 Helsinki, Finland.
EM timo.vesala@helsinki.fi
RI Pumpanen, Jukka/B-1254-2012; Launiainen, Samuli/I-5824-2013; Kaski,
Petteri/C-8655-2014; Vesala, Timo/C-3795-2017;
OI Pumpanen, Jukka/0000-0003-4879-3663; Vesala, Timo/0000-0002-4852-7464;
Kolari, Pasi/0000-0001-7271-633X
FU Academy of Finland Center of Excellence program [1118615, 7523004];
Academy of Finland [213093]; Nessling Foundation; EU
FX This research was supported by the Academy of Finland Center of
Excellence program (project numbers 1118615 and 7523004), by the Academy
of Finland project 213093 and by the Nessling Foundation. EU projects
IMECC and ICOS are also acknowledged.
NR 46
TC 32
Z9 33
U1 4
U2 19
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2010
VL 7
IS 1
BP 163
EP 176
PG 14
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA 549NM
UT WOS:000274058100012
ER
PT J
AU Scharnagl, B
Vrugt, JA
Vereecken, H
Herbst, M
AF Scharnagl, B.
Vrugt, J. A.
Vereecken, H.
Herbst, M.
TI Information content of incubation experiments for inverse estimation of
pools in the Rothamsted carbon model: a Bayesian perspective
SO BIOGEOSCIENCES
LA English
DT Article
ID SOIL ORGANIC-MATTER; FUMIGATION-EXTRACTION METHOD; LONG-TERM
EXPERIMENTS; MICROBIAL BIOMASS-C; CALIBRATION; DYNAMICS; CLIMATE;
STABILIZATION; UNCERTAINTY; FRACTIONS
AB A major drawback of current soil organic carbon (SOC) models is that their conceptually defined pools do not necessarily correspond to measurable SOC fractions in real practice. This not only impairs our ability to rigorously evaluate SOC models but also makes it difficult to derive accurate initial states of the individual carbon pools. In this study, we tested the feasibility of inverse modelling for estimating pools in the Rothamsted carbon model (ROTHC) using mineralization rates observed during incubation experiments. This inverse approach may provide an alternative to existing SOC fractionation methods. To illustrate our approach, we used a time series of synthetically generated mineralization rates using the ROTHC model. We adopted a Bayesian approach using the recently developed DiffeRential Evolution Adaptive Metropolis (DREAM) algorithm to infer probability density functions of the various carbon pools at the start of incubation. The Kullback-Leibler divergence was used to quantify the information content of the mineralization rate data. Our results indicate that measured mineralization rates generally provided sufficient information to reliably estimate all carbon pools in the ROTHC model. The incubation time necessary to appropriately constrain all pools was about 900 days. The use of prior information on microbial biomass carbon significantly reduced the uncertainty of the initial carbon pools, decreasing the required incubation time to about 600 days. Simultaneous estimation of initial carbon pools and decomposition rate constants significantly increased the uncertainty of the carbon pools. This effect was most pronounced for the intermediate and slow pools. Altogether, our results demonstrate that it is particularly difficult to derive reasonable estimates of the humified organic matter pool and the inert organic matter pool from inverse modelling of mineralization rates observed during incubation experiments.
C1 [Scharnagl, B.; Vereecken, H.; Herbst, M.] Forschungszentrum Julich, Agrosphere Inst ICG 4, D-52425 Julich, Germany.
[Vrugt, J. A.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Vrugt, J. A.] Univ Amsterdam, Inst Biodivers & Ecosyst Dynam, NL-1012 WX Amsterdam, Netherlands.
RP Scharnagl, B (reprint author), Forschungszentrum Julich, Agrosphere Inst ICG 4, D-52425 Julich, Germany.
EM b.scharnagl@fz-juelich.de
RI Vrugt, Jasper/C-3660-2008
FU Deutsche Forschungsgemeinschaft (DFG); LANL Postdoctoral Program
FX We thank Sirgit Kummer and Wolfgang Tappe for providing the experimental
data used to estimate the precision of mineralization rate measurements.
The first, third and fourth author gratefully acknowledge financial
support by the TERENO project and by the SFB/TR 32 "Pattern in
Soil-Vegetation-Atmosphere Systems: Monitoring, Modeling, and Data
Assimilation" funded by the Deutsche Forschungsgemeinschaft (DFG). The
work of the second author was sponsored by a J. Robert Oppenheimer
Fellowship from the LANL Postdoctoral Program. We thank the two
anonymous referees for their insightful comments on the discussion
paper.
NR 42
TC 20
Z9 20
U1 3
U2 17
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2010
VL 7
IS 2
BP 763
EP 776
PG 14
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA 561QQ
UT WOS:000274993900023
ER
PT J
AU Kloster, S
Mahowald, NM
Randerson, JT
Thornton, PE
Hoffman, FM
Levis, S
Lawrence, PJ
Feddema, JJ
Oleson, KW
Lawrence, DM
AF Kloster, S.
Mahowald, N. M.
Randerson, J. T.
Thornton, P. E.
Hoffman, F. M.
Levis, S.
Lawrence, P. J.
Feddema, J. J.
Oleson, K. W.
Lawrence, D. M.
TI Fire dynamics during the 20th century simulated by the Community Land
Model
SO BIOGEOSCIENCES
LA English
DT Article
ID GLOBAL VEGETATION MODEL; BURNED AREA; TERRESTRIAL CARBON; SATELLITE
DATA; PART I; BIOMASS; EMISSIONS; CLIMATE; ECOSYSTEMS; REGIMES
AB Fire is an integral Earth System process that interacts with climate in multiple ways. Here we assessed the parametrization of fires in the Community Land Model (CLM-CN) and improved the ability of the model to reproduce contemporary global patterns of burned areas and fire emissions. In addition to wildfires we extended CLM-CN to account for fires related to deforestation. We compared contemporary fire carbon emissions predicted by the model to satellite-based estimates in terms of magnitude and spatial extent as well as interannual and seasonal variability. Long-term trends during the 20th century were compared with historical estimates. Overall we found the best agreement between simulation and observations for the fire parametrization based on the work by Arora and Boer (2005). We obtained substantial improvement when we explicitly considered human caused ignition and fire suppression as a function of population density. Simulated fire carbon emissions ranged between 2.0 and 2.4 Pg C/year for the period 1997-2004. Regionally the simulations had a low bias over Africa and a high bias over South America when compared to satellite-based products. The net terrestrial carbon source due to land use change for the 1990s was 1.2 Pg C/year with 11% stemming from deforestation fires. During 2000-2004 this flux decreased to 0.85 Pg C/year with a similar relative contribution from deforestation fires. Between 1900 and 1960 we predicted a slight downward trend in global fire emissions caused by reduced fuels as a consequence of wood harvesting and also by increases in fire suppression. The model predicted an upward trend during the last three decades of the 20th century as a result of climate variations and large burning events associated with ENSO-induced drought conditions.
C1 [Kloster, S.; Mahowald, N. M.] Cornell Univ, Ithaca, NY 14853 USA.
[Randerson, J. T.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA USA.
[Thornton, P. E.; Hoffman, F. M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Levis, S.; Lawrence, P. J.; Oleson, K. W.; Lawrence, D. M.] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO 80307 USA.
[Feddema, J. J.] Univ Kansas, Dept Geog, Lawrence, KS USA.
RP Kloster, S (reprint author), Cornell Univ, Ithaca, NY 14853 USA.
EM silvia.kloster@zmaw.de
RI Oleson, Keith/A-9328-2008; Lawrence, David/C-4026-2011; Thornton,
Peter/B-9145-2012; Feddema, Johannes/J-4400-2012; Mahowald,
Natalie/D-8388-2013; Hoffman, Forrest/B-8667-2012
OI Lawrence, David/0000-0002-2968-3023; Thornton,
Peter/0000-0002-4759-5158; Feddema, Johannes/0000-0002-0800-0908;
Mahowald, Natalie/0000-0002-2873-997X; Hoffman,
Forrest/0000-0001-5802-4134
FU NSF; [NSF-0758369]; [NSF-0832782]; [NSF-0628353]
FX This work was supported by NSF-0758369, NSF-0832782, and NSF-0628353.
For computational support the authors acknowledge the National Science
Foundation (NSF) and the National Center for Atmospheric Research
(NCAR). NCAR is sponsored by the NSF. We thank the participants and
organizers of the AIMES workshop "Cultural Uses and Impacts of Fires" as
well as S. Harrison, K. Thonicke and G. van der Werf for helpful
discussion.
NR 86
TC 81
Z9 81
U1 3
U2 51
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2010
VL 7
IS 6
BP 1877
EP 1902
DI 10.5194/bg-7-1877-2010
PG 26
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA 618XY
UT WOS:000279390700004
ER
PT B
AU Silverman, HG
Roberto, FF
AF Silverman, Heather G.
Roberto, Francisco F.
BE VonByern, J
Grunwald, I
TI Byssus Formation in Mytilus
SO BIOLOGICAL ADHESIVE SYSTEMS: FROM NATURE TO TECHNICAL AND MEDICAL
APPLICATION
LA English
DT Article; Book Chapter
ID ADHESIVE-PLAQUE PROTEIN; MUSSEL BYSSUS; EDULIS-L; ATTACHMENT STRENGTH;
MATRIX PROTEINS; BLOCK-COPOLYMER; COMMON MUSSEL; BLUE MUSSELS; THREADS;
GALLOPROVINCIALIS
C1 [Silverman, Heather G.; Roberto, Francisco F.] Idaho Natl Lab, Environm & Energy Dept, Idaho Falls, ID 83415 USA.
RP Silverman, HG (reprint author), Idaho Natl Lab, Environm & Energy Dept, POB 1625, Idaho Falls, ID 83415 USA.
EM Heather.Silverman@inl.gov; francisco.roberto@inl.gov
NR 56
TC 11
Z9 11
U1 0
U2 5
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
BN 978-3-7091-0141-4
PY 2010
BP 273
EP 283
DI 10.1007/978-3-7091-0286-2_18
PG 11
WC Engineering, Biomedical; Materials Science, Biomaterials
SC Engineering; Materials Science
GA BTE38
UT WOS:000286639200018
ER
PT J
AU Ham, MI
Gintautas, V
Rodriguez, MA
Bennett, RA
Maria, CLS
Bettencourt, LMA
AF Ham, Michael I.
Gintautas, Vadas
Rodriguez, Marko A.
Bennett, Ryan A.
Maria, Cara L. Santa
Bettencourt, Luis M. A.
TI Density-dependence of functional development in spiking cortical
networks grown in vitro
SO BIOLOGICAL CYBERNETICS
LA English
DT Article
DE Activation graph; Cultured neural networks; Information theory; In
vitro; Development; Neuronal density
ID NEURONAL DENSITY; TEMPORAL-LOBE; CULTURES; PATTERNS; ENTROPY; MODEL
AB During development, the mammalian brain differentiates into specialized regions with distinct functional abilities. While many factors contribute to functional specialization, we explore the effect of neuronal density on the development of neuronal interactions in vitro. Two types of cortical networks, namely, dense and sparse with 50,000 and 12,500 total cells, respectively, are studied. Activation graphs that represent pairwise neuronal interactions are constructed using a competitive first response model. These graphs reveal that, during development in vitro, dense networks form activation connections earlier than sparse networks. Link entropy analysis of dense network activation graphs suggests that the majority of connections between electrodes are reciprocal in nature. Information theoretic measures reveal that early functional information interactions (among three electrodes) are synergetic in both dense and sparse networks. However, during later stages of development, previously synergetic relationships become primarily redundant in dense, but not in sparse networks. Large link entropy values in the activation graph are related to the domination of redundant ensembles in late stages of development in dense networks. Results demonstrate differences between dense and sparse networks in terms of informational groups, pairwise relationships, and activation graphs. These differences suggest that variations in cell density may result in different functional specializations of nervous system tissue in vivo.
C1 [Ham, Michael I.] Los Alamos Natl Lab, Ctr Nonlinear Studies & Appl Modern Phys, Los Alamos, NM 87544 USA.
[Gintautas, Vadas] Los Alamos Natl Lab, Ctr Nonlinear Studies & Appl Math & Plasma Phys, Los Alamos, NM 87544 USA.
[Rodriguez, Marko A.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87544 USA.
[Bennett, Ryan A.; Maria, Cara L. Santa] Univ N Texas, Ctr Network Neurosci, Denton, TX 76203 USA.
[Bennett, Ryan A.] Univ N Texas, Dept Phys, Denton, TX 76203 USA.
[Maria, Cara L. Santa] Univ N Texas, Dept Biol, Denton, TX 76203 USA.
[Bettencourt, Luis M. A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA.
[Bettencourt, Luis M. A.] Santa Fe Inst, Santa Fe, NM 87501 USA.
RP Ham, MI (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies & Appl Modern Phys, P-21, Los Alamos, NM 87544 USA.
EM mikeh@lanl.gov
NR 27
TC 0
Z9 0
U1 1
U2 5
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0340-1200
J9 BIOL CYBERN
JI Biol. Cybern.
PD JAN
PY 2010
VL 102
IS 1
BP 71
EP 80
DI 10.1007/s00422-009-0351-4
PG 10
WC Computer Science, Cybernetics; Neurosciences
SC Computer Science; Neurosciences & Neurology
GA 540CU
UT WOS:000273309200006
PM 20012546
ER
PT J
AU Croshaw, DA
AF Croshaw, Dean A.
TI Quantifying sexual selection: a comparison of competing indices with
mating system data from a terrestrially breeding salamander
SO BIOLOGICAL JOURNAL OF THE LINNEAN SOCIETY
LA English
DT Article
DE Ambystoma opacum; Bateman's principles; binomial skew index; index of
resource monopolization; Morisita index; opportunity for selection
ID REPRODUCTIVE SKEW; BATEMAN GRADIENTS; UPPER LIMITS; RATIO; OPPORTUNITY;
POPULATIONS; INEQUALITY; PRINCIPLES; EVOLUTION; VARIANCE
AB Calculations for quantifying the potential for sexual selection remain controversial. Many indices have been promoted in the literature, but each has unique sets of advantages and disadvantages. Using marbled salamanders, I evaluated the performance of several measures by manipulating intensity of sexual selection in experimental breeding replicates of varying operational sex ratio. Theory predicts that sexual selection among males will be higher when sex ratio is male-biased and lower when female-biased. I used microsatellite data to assign hatchling parentage, estimate adult fitness, and calculate several indices of inequality for quantifying sexual selection. Opportunity for selection and Morisita index always conformed to theoretical expectations, which was not the case for index of resource monopolization, standardized Morisita index, or binomial skew index. Although I conclude that opportunity for selection is advantageous in sexual selection studies because of its link to formal theory, this should be tested against the null hypothesis of random variation in ambiguous cases. In the present study, although variation in both reproductive and mating success was high when quantified using opportunities for selection, it was only significantly greater than random expectations for reproductive success. This study provides further empirical support for the continued use of opportunity for selection in sexual selection studies. (C) 2010 The Linnean Society of London, Biological Journal of the Linnean Society, 2010, 99, 73-83.
C1 [Croshaw, Dean A.] Savannah River Ecol Lab, Aiken, SC 29802 USA.
[Croshaw, Dean A.] Univ New Orleans, Dept Biol Sci, New Orleans, LA 70148 USA.
RP Croshaw, DA (reprint author), Univ Arizona, Dept Ecol & Evolutionary Biol, POB 210088, Tucson, AZ 85721 USA.
EM croshaw@email.arizona.edu
FU University of New Orleans [DE-FC09-96SR18546]; Environmental Remediation
Sciences Division of the Office of Biological and Environmental
Research; US Department of Energy; University of Georgia Research
Foundation
FX I especially thank T. Glenn for advice and access to laboratory
resources. I also thank D. Scott for use of salamanders and cattle tanks
and M. Komoroski for use of drift fences. The manuscript benefited from
comments by W. Gibbons, T. Glenn, J. Howard, S. Johnson, A. Jones, T.
Mousseau, P. Nonacs, and J. Pechmann. I was supported by a Board of
Regents Superior Graduate Fellowship from the University of New Orleans.
Additional funding was provided by award DE-FC09-96SR18546 from the
Environmental Remediation Sciences Division of the Office of Biological
and Environmental Research, US Department of Energy to the University of
Georgia Research Foundation.
NR 38
TC 15
Z9 15
U1 3
U2 22
PU WILEY-BLACKWELL PUBLISHING, INC
PI MALDEN
PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA
SN 0024-4066
J9 BIOL J LINN SOC
JI Biol. J. Linnean Soc.
PD JAN
PY 2010
VL 99
IS 1
BP 73
EP 83
PG 11
WC Evolutionary Biology
SC Evolutionary Biology
GA 534JK
UT WOS:000272892200007
ER
PT S
AU Vineyard, CM
Bernard, ML
Taylor, SE
Caudell, TP
Watson, P
Verzi, S
Cohen, NJ
Eichenbaum, H
AF Vineyard, Craig M.
Bernard, Michael L.
Taylor, Shawn E.
Caudell, Thomas P.
Watson, Patrick
Verzi, Stephen
Cohen, Neal J.
Eichenbaum, Howard
BE Samsonovich, AV
Johannsdottir, KR
Chella, A
Goertzel, B
TI A Neurologically Plausible Artificial Neural Network Computational
Architecture of Episodic Memory and Recall
SO BIOLOGICALLY INSPIRED COGNITIVE ARCHITECTURES 2010
SE Frontiers in Artificial Intelligence and Applications
LA English
DT Proceedings Paper
CT 1st Annual Meeting of the
Biologically-Inspired-Cognitive-Architectures-Society (BICA)
CY NOV 13-14, 2010
CL Washington, DC
SP Biologically Inspired Cognit Architectures Soc
DE Artificial neural network; hippocampus; computational model
ID CORTICES; MONKEY
AB Episodic memory is supported by the relational memory functions of the hippocampus. Building upon extensive neuroscience research on hippocampal processing, neural density, and connectivity we have implemented a computational architecture using variants of adaptive resonance theory artificial neural networks. Consequently, this model is capable of encoding, storing and processing multi-modal sensory inputs as well as simulating qualitative memory phenomena such as auto-association and recall. The performance of the model is compared with human subject performance. Thus, in this paper we present a neurologically plausible artificial neural network computational architecture of episodic memory and recall modeled after cortical-hippocampal structure and function.
C1 [Vineyard, Craig M.; Bernard, Michael L.; Taylor, Shawn E.; Verzi, Stephen] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Vineyard, Craig M.; Caudell, Thomas P.] Univ New Mexico, Albuquerque, NM 87131 USA.
[Watson, Patrick; Cohen, Neal J.] Univ Illinois, Champaign Beckman Inst, Urbana, IL 60680 USA.
[Eichenbaum, Howard] Boston Univ, Boston, MA 02215 USA.
RP Vineyard, CM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM cmviney@sandia.gov
NR 17
TC 1
Z9 1
U1 0
U2 2
PU IOS PRESS
PI AMSTERDAM
PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS
SN 0922-6389
BN 978-1-60750-661-4; 978-1-60750-660-7
J9 FRONT ARTIF INTEL AP
PY 2010
VL 221
BP 175
EP 180
DI 10.3233/978-1-60750-661-4-175
PG 6
WC Computer Science, Artificial Intelligence
SC Computer Science
GA BHF21
UT WOS:000325220500032
ER
PT J
AU Chauvin, TR
Liu, T
Nicora, C
Xie, F
Yang, F
Camp, D
Smith, R
Roberts, K
AF Chauvin, Theodore R.
Liu, Tao
Nicora, Carrie
Xie, Fang
Yang, Feng
Camp, David
Smith, Richard
Roberts, Kenneth
TI Proteomic Profiling of Murine Sperm from Caput and Cauda.
SO BIOLOGY OF REPRODUCTION
LA English
DT Meeting Abstract
CT 43rd Annual Meeting of the Society-for-the-Study-of-Reproduction
CY JUL 31-AUG 03, 2010
CL Milwaukee, WI
SP Soc Study Reproduct
C1 Washington State Univ, Spokane, WA USA.
Pacific NW Natl Lab, Richland, WA 99352 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SOC STUDY REPRODUCTION
PI MADISON
PA 1603 MONROE ST, MADISON, WI 53711-2021 USA
SN 0006-3363
J9 BIOL REPROD
JI Biol. Reprod.
PY 2010
SU S
MA 500
BP 158
EP 159
PG 2
WC Reproductive Biology
SC Reproductive Biology
GA 682DY
UT WOS:000284381300465
ER
PT J
AU Sokhansanj, S
Mani, S
Tagore, S
Turhollow, AF
AF Sokhansanj, S.
Mani, S.
Tagore, S.
Turhollow, A. F.
TI Techno-economic analysis of using corn stover to supply heat and power
to a corn ethanol plant - Part 1: Cost of feedstock supply logistics
SO BIOMASS & BIOENERGY
LA English
DT Article
DE IBSAL model; Corn stover; Collection cost; Pelleting cost;
Transportation cost; Fuel preparation cost
ID BIOMASS; SWITCHGRASS; PELLETS; HARVEST
AB Supply of corn stover to produce heat and power for a typical 170 dam(3) dry mill ethanol plant is proposed. The corn ethanol plant requires 5.6 MW of electricity and 52.3 MW of process heat, which creates the annual stover demand of as much as 140 Gg. The corn stover supply system consists of collection, pre-processing, transportation and on-site fuel storage and preparation to produce heat and power for the ethanol plant. Economics of the entire supply system was conducted using the Integrated Biomass Supply Analysis and Logistics (IBSAL) simulation model. Corn stover was delivered in three formats (square dry chops and pellets) to the combined heat and power plant. Delivered cost of biomass ready to be burned was calculated at 73 $ Mg(-1) for bales, 86 $ Mg(-1) for pellets and 84 $ Mg(-1) for field chopped biomass. Among the three formats of stover supply systems, delivered cost of pelleted biomass was the highest due to high pelleting cost. Bulk transport of biomass in the form of chops and pellets can provide a promising future biomass supply logistic system in the US, if the costs of pelleting and transport are minimized. (C) 2009 Elsevier Ltd. All rights reserved.
C1 [Mani, S.] Univ Georgia, Driftmier Engn Ctr, Athens, GA 30602 USA.
[Sokhansanj, S.; Turhollow, A. F.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Tagore, S.] US DOE, Off Biomass Program, Washington, DC 20585 USA.
RP Mani, S (reprint author), Univ Georgia, Driftmier Engn Ctr, Athens, GA 30602 USA.
EM smani@engr.uga.edu
RI Mani, Sudhagar/A-4315-2010
FU Oak Ridge National Laboratory (ORNL) and Office of Biomass Program, US
Department of Energy (DOE)
FX The authors acknowledge Oak Ridge National Laboratory (ORNL) and Office
of Biomass Program, US Department of Energy (DOE), for providing funding
to conduct this research.
NR 26
TC 33
Z9 33
U1 0
U2 21
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0961-9534
J9 BIOMASS BIOENERG
JI Biomass Bioenerg.
PD JAN
PY 2010
VL 34
IS 1
BP 75
EP 81
DI 10.1016/j.biombioe.2009.10.001
PG 7
WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy &
Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA 556FR
UT WOS:000274575800009
ER
PT B
AU Langella, S
Hastings, S
Oster, S
Payne, P
Siebenlist, F
AF Langella, Stephen
Hastings, Shannon
Oster, Scott
Payne, Philip
Siebenlist, Frank
BE Ochs, MF
Casagrande, JT
Davuluri, RV
TI Authentication and Authorization in Cancer Research Systems
SO BIOMEDICAL INFORMATICS FOR CANCER RESEARCH
LA English
DT Article; Book Chapter
ID BIOMEDICAL-RESEARCH
AB Enforcing controlled access to resources in cancer research systems, while facilitating resource sharing, among collaborators, is a challenging problem. This is especially challenging when resources are distributed across organizational boundaries and researchers from a distributed set of organizations require access to them. In this chapter, we will present motivating use cases, a software solution, and policies for enforcing access control in lam distributed cancer research systems.
C1 [Langella, Stephen; Hastings, Shannon; Oster, Scott; Payne, Philip] Ohio State Univ, Dept Biomed Informat, Columbus, OH 43210 USA.
[Siebenlist, Frank] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA.
RP Langella, S (reprint author), Ohio State Univ, Dept Biomed Informat, 333 W 10th Ave, Columbus, OH 43210 USA.
EM Stephen.Langella@osumc.edu
NR 14
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
BN 978-1-4419-5712-2
PY 2010
BP 279
EP 290
DI 10.1007/978-1-4419-5714-6_16
D2 10.1007/978-1-4419-5714-6
PG 12
WC Biochemical Research Methods; Biotechnology & Applied Microbiology;
Oncology; Mathematical & Computational Biology
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Oncology; Mathematical & Computational Biology
GA BOO43
UT WOS:000277148600016
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Introduction: Preparing for your study
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Editorial Material; Book Chapter
ID PROTEIN DATA-BANK; DRUG DISCOVERY; CRYSTALLOGRAPHY; COMPLEX;
CRYSTALLIZATION; RESOLUTION; ANGSTROM; CHANNEL; DESIGN; ATPASE
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 40
TC 0
Z9 0
U1 0
U2 0
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 1
EP 22
PG 22
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000001
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Protein structure
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Article; Book Chapter
ID X-RAY-STRUCTURE; NUCLEOSOME CORE PARTICLE; CRYSTAL-STRUCTURE; ANGSTROM
RESOLUTION; STRUCTURE VALIDATION; BINDING PROTEIN; TERMINAL DOMAIN;
ALPHA-HELIX; DNA COMPLEX; B-DNA
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 90
TC 0
Z9 0
U1 0
U2 1
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 23
EP 76
PG 54
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000002
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Protein crystallization
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Article; Book Chapter
ID X-RAY-DIFFRACTION; VAPOR-DIFFUSION; STRUCTURAL GENOMICS;
CRYSTAL-STRUCTURE; MACROMOLECULAR CRYSTALLIZATION; BIOLOGICAL
MACROMOLECULES; MEMBRANE-PROTEIN; ANGSTROM RESOLUTION; LIGAND COMPLEXES;
BINDING
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 139
TC 0
Z9 0
U1 0
U2 0
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 77
EP 140
PG 64
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000003
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Proteins for crystallography
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Article; Book Chapter
ID GREEN FLUORESCENT PROTEIN; MALTOSE-BINDING PROTEIN; HIGH-LEVEL
EXPRESSION; ESCHERICHIA-COLI; MASS-SPECTROMETRY; CRYSTAL-STRUCTURE;
COUPLED RECEPTOR; PICHIA-PASTORIS; WEB SERVER; STRUCTURAL PROTEOMICS
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 142
TC 0
Z9 0
U1 0
U2 0
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 141
EP 194
PG 54
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000004
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Crystal geometry
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Article; Book Chapter
ID MYCOBACTERIUM-TUBERCULOSIS; PROTEIN CRYSTALS; ACTIVATION; RECEPTOR;
KINASE
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 25
TC 0
Z9 0
U1 0
U2 1
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 197
EP 246
PG 50
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000005
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Diffraction basics
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Article; Book Chapter
ID NEUTRON PROTEIN CRYSTALLOGRAPHY; ANOMALOUS SCATTERING FACTORS; PHASING
METHOD; MACROMOLECULES; WAVELENGTH; RESOLUTION; RADIATION
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 43
TC 0
Z9 0
U1 0
U2 0
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 247
EP 311
PG 65
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000006
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Statistics and probability in crystallography
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Article; Book Chapter
ID HEAVY-ATOM METHOD; MAXIMUM-LIKELIHOOD; DIFFRACTION DATA; STRUCTURE
AMPLITUDES; REFINEMENT; PHASES; ERRORS; MODEL
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 55
TC 0
Z9 0
U1 0
U2 0
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 313
EP 369
PG 57
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000007
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Instrumentation and data collection
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Article; Book Chapter
ID X-RAY-DIFFRACTION; ATOMIC-FORCE MICROSCOPY; MULTIWIRE AREA DETECTOR;
RADIATION-DAMAGE; MACROMOLECULAR CRYSTALLOGRAPHY; PROTEIN CRYSTALS;
SYNCHROTRON-RADIATION; TWINNED CRYSTALS; CRYOCRYSTALLOGRAPHY; STATISTICS
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 101
TC 0
Z9 0
U1 0
U2 0
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 371
EP 436
PG 66
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000008
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Reconstruction of electron density and the phase problem
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Article; Book Chapter
ID FAST FOURIER-TRANSFORM; MODEL; VALIDATION; REFINEMENT; QUALITY; ERRORS;
BIAS; MAPS
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 33
TC 0
Z9 0
U1 0
U2 0
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 439
EP 472
PG 34
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000009
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Experimental phasing
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Article; Book Chapter
ID 3-DIMENSIONAL FOURIER SYNTHESIS; ISOMORPHOUS-REPLACEMENT METHOD;
CRYSTALLOGRAPHIC STRUCTURE DETERMINATION; ANOMALOUS SCATTERING
MEASUREMENTS; MAXIMUM-LIKELIHOOD; ELECTRON-DENSITY; MACROMOLECULAR
STRUCTURES; CRYSTAL-STRUCTURE; PROBABILITY-DISTRIBUTION; MOLECULAR
REPLACEMENT
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 125
TC 0
Z9 0
U1 0
U2 0
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 473
EP 545
PG 73
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000010
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Non-crystallographic symmetry and molecular replacement
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Article; Book Chapter
ID FAST TRANSLATION FUNCTIONS; PROTEIN FOLD SPACE; X-RAY-DIFFRACTION;
CRYSTAL-STRUCTURE; MAXIMUM-LIKELIHOOD; EVOLUTIONARY SEARCH;
ROTATION-FUNCTION; PHASE REFINEMENT; ASYMMETRIC UNIT; SOLVENT CONTENT
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 118
TC 0
Z9 0
U1 1
U2 2
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 547
EP 605
PG 59
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000011
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Model building and refinement
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Article; Book Chapter
ID LEAST-SQUARES REFINEMENT; ELECTRON-DENSITY MAPS; FREE R-VALUE;
NON-CRYSTALLOGRAPHIC SYMMETRY; PROTEIN-STRUCTURE REFINEMENT; RIGID-BODY
MOTION; MACROMOLECULAR STRUCTURES; CRYSTAL-STRUCTURE; CROSS-VALIDATION;
MOLECULAR REPLACEMENT
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 163
TC 0
Z9 0
U1 0
U2 3
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 607
EP 691
PG 85
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000012
ER
PT B
AU Rupp, B
AF Rupp, Bernhard
BA Rupp, B
BF Rupp, B
TI Structure validation, analysis, and presentation
SO BIOMOLECULAR CRYSTALLOGRAPHY: PRINCIPLES, PRACTICE, AND APPLICATION TO
STRUCTURAL BIOLOGY
LA English
DT Article; Book Chapter
ID HIGH-THROUGHPUT CRYSTALLOGRAPHY; PROTEIN CRYSTAL-STRUCTURES;
LIGAND-BINDING-SITES; ANGSTROM RESOLUTION; ALZHEIMERS-DISEASE;
ELECTRON-DENSITY; DRUG DESIGN; LEAD DISCOVERY; MECHANOSENSITIVE CHANNEL;
STRUCTURE PREDICTION
C1 [Rupp, Bernhard] Lawrence Livermore Natl Lab, Prot Drug Target Crystallog Grp, Livermore, CA USA.
NR 107
TC 0
Z9 0
U1 0
U2 2
PU GARLAND SCIENCE, TAYLOR & FRANCIS
PI NEW YORK
PA 270 MADISON AVENUE, NEW YORK, NY 10016 USA
BN 978-0-8153-4081-2
PY 2010
BP 693
EP 735
PG 43
WC Biochemistry & Molecular Biology; Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BLY81
UT WOS:000271460000013
ER
PT J
AU Pennisi, CP
Greenbaum, E
Yoshida, K
AF Pennisi, Cristian Pablo
Greenbaum, Elias
Yoshida, Ken
TI Analysis of light-induced transmembrane ion gradients and membrane
potential in Photosystem I proteoliposomes
SO BIOPHYSICAL CHEMISTRY
LA English
DT Article
DE Photosystem I; Reconstitution; Cyclic electron transport; Light-induced
proton transport; Electrodiffusion model; Computer simulation
ID PHOTOSYNTHETIC ENERGY-CONSERVATION; LIPID BILAYER MEMBRANES;
PROTON-MOTIVE FORCE; IRON-SULFUR CENTERS; DELTA-PH; ELECTRON-TRANSFER;
FUNCTIONAL RECONSTITUTION; PHOSPHOLIPID-VESICLES; SPINACH-CHLOROPLASTS;
PROTEIN COMPLEXES
AB Photosystem I (PSI) complexes can support a light-driven electrochemical gradient for protons, which is the driving force for energy-conserving reactions across biological membranes. In this work, a computational model that enables a quantitative description of the light-induced proton gradients across the membrane of PSI proteoliposomes is presented. Using a set of electrodiffusion equations, a compartmental model of a vesicle suspended in aqueous medium was studied. The light-mediated proton movement was modeled as a single proton pumping step with backpressure of the electric potential. The model fits determinations of pH obtained from PSI proteoliposomes illuminated in the presence of mediators of cyclic electron transport. The model also allows analysis of the proton gradients in relation to the transmembrane ion fluxes and electric potential. Sensitivity analysis enabled a determination of the parameters that have greater influence on steady-state levels and onset/decay rates of transmembrane pH and electric potential, This model could be used as a tool for optimizing PSI proteoliposomes for photo-electrochemical applications. (C) 2009 Elsevier B.V. All rights reserved.
C1 [Pennisi, Cristian Pablo; Yoshida, Ken] Univ Aalborg, Dept Hlth Sci & Technol, Ctr Sensory Motor Interact, DK-9220 Aalborg, Denmark.
[Greenbaum, Elias] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Yoshida, Ken] Indiana Univ Purdue Univ, Dept Biomed Engn, Indianapolis, IN 46202 USA.
RP Pennisi, CP (reprint author), Univ Aalborg, Dept Hlth Sci & Technol, Ctr Sensory Motor Interact, Fredrik Bajers Vej 7 D3, DK-9220 Aalborg, Denmark.
EM cpennisi@hst.aau.dk
RI Pennisi, Cristian/B-6878-2008
OI Pennisi, Cristian/0000-0002-7716-1182
NR 63
TC 8
Z9 8
U1 1
U2 16
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0301-4622
J9 BIOPHYS CHEM
JI Biophys. Chem.
PD JAN
PY 2010
VL 146
IS 1
BP 13
EP 24
DI 10.1016/j.bpc.2009.09.013
PG 12
WC Biochemistry & Molecular Biology; Biophysics; Chemistry, Physical
SC Biochemistry & Molecular Biology; Biophysics; Chemistry
GA 528JO
UT WOS:000272440400003
PM 19854559
ER
PT J
AU Chung, S
Shin, SH
Whitelam, S
Bertozzi, C
De Yoreo, J
AF Chung, Sungwook
Shin, Seong-Ho
Whitelam, Stephen
Bertozzi, Carolyn
De Yoreo, Jim
TI S-Layer Self-Assembly on Supported Lipid-Bilayers: The Importance of
Amorphous Precursors and Folding Transitions
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Chung, Sungwook; Shin, Seong-Ho; Whitelam, Stephen; Bertozzi, Carolyn; De Yoreo, Jim] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
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
PY 2010
VL 98
IS 3
SU 1
BP 10A
EP 10A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000051
ER
PT J
AU Liu, HG
Zwart, PH
AF Liu, Haiguang
Zwart, Peter H.
TI The Small Angle Scattering Toolbox
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Liu, Haiguang; Zwart, Peter H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 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
PY 2010
VL 98
IS 3
SU 1
BP 10A
EP 10A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000054
ER
PT J
AU Maibaum, L
Pasqua, A
Oster, G
Fletcher, DA
Geissler, PL
AF Maibaum, Lutz
Pasqua, Andrea
Oster, George
Fletcher, Daniel A.
Geissler, Phillip L.
TI Large-Scale Simulations of Fluctuating Biological Membranes
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Maibaum, Lutz; Pasqua, Andrea; Oster, George; Fletcher, Daniel A.; Geissler, Phillip L.] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Maibaum, Lutz; Fletcher, Daniel A.; Geissler, Phillip L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 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
PY 2010
VL 98
IS 3
SU 1
BP 10A
EP 11A
PG 2
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000055
ER
PT J
AU Stachowiak, JC
Hayden, CC
Sasaki, DY
AF Stachowiak, Jeanne C.
Hayden, Carl C.
Sasaki, Darryl Y.
TI Steric Confinement of Proteins in Lipid Domains Can Drive Membrane
Curvature and Tubulation
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Stachowiak, Jeanne C.; Hayden, Carl C.; Sasaki, Darryl Y.] Sandia Natl Labs, 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
PY 2010
VL 98
IS 3
SU 1
BP 20A
EP 20A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000106
ER
PT J
AU Talley, ND
Danzig, BA
Cannon, WR
Martinez, JS
Shreve, AP
MacDonald, G
AF Talley, Nate D.
Danzig, Brittany A.
Cannon, William R.
Martinez, Jennifer S.
Shreve, Andrew P.
MacDonald, Gina
TI Concentration and Ion Induced Effects on Nucleotide Binding, Aggregation
and Thermal Unfolding Transitions of Reca
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Talley, Nate D.; Danzig, Brittany A.; Cannon, William R.; MacDonald, Gina] James Madison Univ, Harrisonburg, VA 22807 USA.
[Martinez, Jennifer S.; Shreve, Andrew P.] Los Alamos Natl Lab, Los Alamos, NM 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
PY 2010
VL 98
IS 3
SU 1
BP 29A
EP 29A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000152
ER
PT J
AU Lee, CF
Hauenstein, AV
Gasper, WC
Sankaran, B
Bernstein, SI
Huxford, T
AF Lee, Chi F.
Hauenstein, Arthur V.
Gasper, William C.
Sankaran, Banumathi
Bernstein, Sanford I.
Huxford, Tom
TI Crystal Structure of Drosophila Unc-45, a Putative Myosin Chaperone
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Lee, Chi F.; Hauenstein, Arthur V.; Gasper, William C.; Bernstein, Sanford I.; Huxford, Tom] San Diego State Univ, San Diego, CA 92182 USA.
[Sankaran, Banumathi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
NR 0
TC 0
Z9 0
U1 1
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
PY 2010
VL 98
IS 3
SU 1
BP 34A
EP 34A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000179
ER
PT J
AU Han, BG
Dong, M
Biggin, MD
Glaeser, RM
AF Han, Bong-Gyoon
Dong, Ming
Biggin, Mark D.
Glaeser, Robert M.
TI Structural Survey of Large Protein Complexes in Desulfovibrio Vulgaris
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Han, Bong-Gyoon; Dong, Ming; Biggin, Mark D.; Glaeser, Robert M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 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
PY 2010
VL 98
IS 3
SU 1
BP 56A
EP 56A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000295
ER
PT J
AU Tung, CS
Fenimore, P
McMahon, B
AF Tung, Chang-Shung
Fenimore, Paul
McMahon, Benjamin
TI Structural Modeling of a Bacterial RNAP/DNA Complex to Understand
Functions of the Prokaryotic Transcription Machinery
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Tung, Chang-Shung; Fenimore, Paul; McMahon, Benjamin] 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
PY 2010
VL 98
IS 3
SU 1
BP 57A
EP 57A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000302
ER
PT J
AU Hamill, AC
Butler, P
Porcar, L
Garg, S
AF Hamill, Andrea C.
Butler, Paul
Porcar, Lionel
Garg, Sumit
TI Protein Domain Formation in Lipid Membranes
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Hamill, Andrea C.; Butler, Paul] NIST, Gaithersburg, MD USA.
[Porcar, Lionel] ILL, Gernoble, France.
[Garg, Sumit] ANL, Argonne, IL USA.
RI Butler, Paul/D-7368-2011
NR 0
TC 0
Z9 0
U1 0
U2 6
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
PY 2010
VL 98
IS 3
SU 1
BP 59A
EP 59A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000313
ER
PT J
AU Hura, GL
Hammel, M
Tainer, JA
Adams, MW
Menon, AL
Classen, S
Rambo, R
AF Hura, Greg L.
Hammel, Michal
Tainer, John A.
Adams, Mike W.
Menon, Angeli L.
Classen, Scott
Rambo, Robert
TI Proteomic Scale Small Angle X-ray Scattering (SAXS):applications and
Implications
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Hura, Greg L.; Hammel, Michal; Tainer, John A.; Classen, Scott; Rambo, Robert] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Adams, Mike W.] Univ Georgia, Athens, HI USA.
[Menon, Angeli L.] Univ Georgia, Athens, GA 30602 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
PY 2010
VL 98
IS 3
SU 1
BP 60A
EP 60A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000318
ER
PT J
AU Whitelam, S
Chung, S
Shin, SH
Bertozzi, C
DeYoreo, JJ
AF Whitelam, Steve
Chung, Sungwook
Shin, Seong-Ho
Bertozzi, Carolyn
DeYoreo, James J.
TI Dynamics of In Vitro Bacterial S-Layer Crystallization
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Whitelam, Steve; Chung, Sungwook; Shin, Seong-Ho; Bertozzi, Carolyn; DeYoreo, James J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
NR 6
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
PY 2010
VL 98
IS 3
SU 1
BP 60A
EP 60A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000317
ER
PT J
AU Tung, CS
AF Tung, Chang-Shung
TI Structural Modeling of PhoB Dimer and Its Interaction With RNAP Complex
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Tung, Chang-Shung] Los Alamos Natl Lab, Los Alamos, NM 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
PY 2010
VL 98
IS 3
SU 1
BP 69A
EP 69A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000366
ER
PT J
AU Wall, ME
Markowitz, DA
Rosner, JL
Martin, RG
AF Wall, Michael E.
Markowitz, David A.
Rosner, Judah L.
Martin, Robert G.
TI Model of Transcriptional Activation By MarA in Escherichia Coli
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Wall, Michael E.; Markowitz, David A.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Rosner, Judah L.; Martin, Robert G.] NIH, Bethesda, MD 20892 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
PY 2010
VL 98
IS 3
SU 1
BP 70A
EP 70A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000369
ER
PT J
AU Lozano, MM
Weber, PK
Hutcheon, ID
Boxer, SG
AF Lozano, Monica M.
Weber, Peter K.
Hutcheon, Ian D.
Boxer, Steven G.
TI The Phase Behavior of Supported Lipid Bilayer Mixtures and Cell
Membranes Imaged By Secondary Ion Mass Spectrometry
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Lozano, Monica M.; Boxer, Steven G.] Stanford Univ, Stanford, CA 94305 USA.
[Weber, Peter K.; Hutcheon, Ian D.] Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, Livermore, CA USA.
[Weber, Peter K.; Hutcheon, Ian D.] Lawrence Livermore Natl Lab, BioSecur & Nanosci Lab, Livermore, CA 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
PY 2010
VL 98
IS 3
SU 1
BP 75A
EP 75A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000398
ER
PT J
AU Sanii, B
Szmodis, AW
Bricarello, DA
Oliver, AE
Parikh, AN
AF Sanii, Babak
Szmodis, Alan W.
Bricarello, Daniel A.
Oliver, Ann E.
Parikh, Atul N.
TI Frustrated Phase Transformations in Supported, Interdigitating Lipid
Bilayers
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Sanii, Babak] Lawrence Berkeley Natl Lab Mol Foundry, Berkeley, CA USA.
[Szmodis, Alan W.; Bricarello, Daniel A.; Oliver, Ann E.; Parikh, Atul N.] Univ Calif Davis, Davis, CA 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
PY 2010
VL 98
IS 3
SU 1
BP 78A
EP 78A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000413
ER
PT J
AU Smirnova, TI
Voynov, MA
Poluektov, OG
Smirnov, AI
AF Smirnova, Tatyana I.
Voynov, Maxim A.
Poluektov, Oleg G.
Smirnov, Alex I.
TI Heterogeneous Dielectric and Hydrogen Bonding Environment of
Transmembrane Peptides
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Smirnova, Tatyana I.; Voynov, Maxim A.; Smirnov, Alex I.] N Carolina State Univ, Raleigh, NC 27695 USA.
[Poluektov, Oleg G.] Argonne Natl Lab, Argonne, IL 60439 USA.
RI Smirnov, Alex/Q-9818-2016
OI Smirnov, Alex/0000-0002-0037-2555
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
PY 2010
VL 98
IS 3
SU 1
BP 87A
EP 87A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762000462
ER
PT J
AU Nakajo, K
Ulbrich, MH
Kubo, Y
Isacoff, EY
AF Nakajo, Koichi
Ulbrich, Maximilian H.
Kubo, Yoshihiro
Isacoff, Ehud Y.
TI Stoichiometry of KCNQ1-KCNE1 Ion Channel Complex is Flexible and
Density-Dependent
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Nakajo, Koichi; Kubo, Yoshihiro] NIPS, Okazaki, Aichi, Japan.
[Nakajo, Koichi; Ulbrich, Maximilian H.; Isacoff, Ehud Y.] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 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
PY 2010
VL 98
IS 3
SU 1
BP 136A
EP 137A
PG 2
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762001177
ER
PT J
AU Splettstoesser, T
Holmes, KC
Noe, F
Smith, JC
AF Splettstoesser, Thomas
Holmes, Kenneth C.
Noe, Frank
Smith, Jeremy C.
TI A Comparison of Actin Filament Models by Molecular Dynamics Simulation
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Splettstoesser, Thomas] Heidelberg Univ, Heidelberg, Germany.
[Holmes, Kenneth C.] Max Planck Inst Med Res, D-69120 Heidelberg 1, Germany.
[Noe, Frank] FU, DFG Res Ctr Matheon, Berlin, Germany.
[Smith, Jeremy C.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
NR 0
TC 1
Z9 1
U1 1
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
PY 2010
VL 98
IS 3
SU 1
BP 154A
EP 154A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762001262
ER
PT J
AU Cochran, JC
Sindelar, CV
Mulko, NK
Collins, KA
Kong, SE
Hawley, RS
Kull, FJ
AF Cochran, Jared C.
Sindelar, Charles V.
Mulko, Natasha K.
Collins, Kimberly A.
Kong, Stephanie E.
Hawley, R. Scott
Kull, F. Jon
TI ATPase Cycle of the Nonmotile Kinesin NOD Allows Microtubule End
Tracking and Drives Chromosome Movement
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Cochran, Jared C.; Mulko, Natasha K.; Kull, F. Jon] Dartmouth Coll, Hanover, NH 03755 USA.
[Sindelar, Charles V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Collins, Kimberly A.; Kong, Stephanie E.; Hawley, R. Scott] Stowers Inst Med Res, Kansas City, MO 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
PY 2010
VL 98
IS 3
SU 1
BP 164A
EP 164A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762001318
ER
PT J
AU Ginsberg, NS
Davis, JA
Ballottari, M
Cheng, YC
Bassi, R
Fleming, GR
AF Ginsberg, Naomi S.
Davis, Jeffrey A.
Ballottari, Matteo
Cheng, Yuan-Chung
Bassi, Roberto
Fleming, Graham R.
TI Investigating The CP29 Photosynthetic Light Harvesting Complex with 2D
Electronic Spectroscopy
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Ginsberg, Naomi S.; Fleming, Graham R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Ginsberg, Naomi S.; Fleming, Graham R.] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Davis, Jeffrey A.] Swinburne Univ Technol, Melbourne, Vic, Australia.
[Ballottari, Matteo; Bassi, Roberto] Univ Verona, I-37100 Verona, Italy.
[Cheng, Yuan-Chung] Natl Taiwan Univ, Taipei 10764, Taiwan.
NR 0
TC 0
Z9 0
U1 1
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
PY 2010
VL 98
IS 3
SU 1
BP 172A
EP 172A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762001360
ER
PT J
AU Hong, XG
AF Hong, Xinguo
TI Pair-Distance Distribution Function P(R) of Protein Solution at
Crystallographic Resolution
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Hong, Xinguo] Brookhaven Natl Lab, Upton, NY 11973 USA.
NR 3
TC 0
Z9 0
U1 1
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
PY 2010
VL 98
IS 3
SU 1
BP 177A
EP 177A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762001386
ER
PT J
AU Yang, SC
Blachowicz, L
Makowski, L
Roux, B
AF Yang, Sichun
Blachowicz, Lydia
Makowski, Lee
Roux, Benoit
TI Small-Angle X-Ray Scattering and Computational Modeling Reveal the
Multi-Domain Assembly States of Hck in Solution
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Yang, Sichun; Blachowicz, Lydia; Roux, Benoit] Univ Chicago, Chicago, IL 60637 USA.
[Makowski, Lee; Roux, Benoit] Argonne Natl Lab, Argonne, IL 60439 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
PY 2010
VL 98
IS 3
SU 1
BP 177A
EP 177A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762001383
ER
PT J
AU Laurence, T
Miller, AE
Hollars, CW
Lane, SM
AF Laurence, Ted
Miller, Abigail E.
Hollars, Christopher W.
Lane, Stephen M.
TI Fluorescence Cross-Correlation Spectroscopy as a Universal Method for
Protein Detection with Low False Positives
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Laurence, Ted; Miller, Abigail E.; Hollars, Christopher W.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Lane, Stephen M.] Univ Calif Davis, Ctr Biophoton Sci & Technol, Sacramento, CA 95817 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
PY 2010
VL 98
IS 3
SU 1
BP 185A
EP 185A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762001425
ER
PT J
AU Rakshit, S
Sivasankar, S
AF Rakshit, Sabyasachi
Sivasankar, Sanjeevi
TI Electrostatic Switching of Polysaccharide Conformation Probed at the
Single Molecule Level
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Rakshit, Sabyasachi; Sivasankar, Sanjeevi] Iowa State Univ, Ames, IA USA.
[Rakshit, Sabyasachi; Sivasankar, Sanjeevi] Ames Lab, Ames, IA 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
PY 2010
VL 98
IS 3
SU 1
BP 186A
EP 186A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762001433
ER
PT J
AU Sanii, B
Ashby, PD
AF Sanii, Babak
Ashby, Paul D.
TI Nanowires As AFM Cantilevers: A Detection Scheme to Gently Image Soft
Biological Materials in Fluids
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Sanii, Babak; Ashby, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
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
PY 2010
VL 98
IS 3
SU 1
BP 190A
EP 190A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762001454
ER
PT J
AU Vlassiouk, I
Apel, PY
Dmitriev, SN
Davenport, M
Healy, K
Siwy, ZS
AF Vlassiouk, Ivan
Apel, Pavel Yu
Dmitriev, Sergey N.
Davenport, Matthew
Healy, Ken
Siwy, Zuzanna S.
TI Ultrathin Nanoporous Silicon Nitride Membranes for Separations and
Biosensing
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Vlassiouk, Ivan; Davenport, Matthew; Healy, Ken; Siwy, Zuzanna S.] Univ Calif Irvine, Irvine, CA USA.
[Vlassiouk, Ivan] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Apel, Pavel Yu; Dmitriev, Sergey N.] Joint Inst Nucl Res, Flerov Lab Nucl React, Moscow, Moscow Region, Russia.
RI Apel, Pavel/D-4133-2009
OI Apel, Pavel/0000-0003-1259-163X
NR 0
TC 3
Z9 3
U1 3
U2 6
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
PY 2010
VL 98
IS 3
SU 1
BP 195A
EP 195A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762001480
ER
PT J
AU Thukral, L
Smith, JC
Daidone, I
AF Thukral, Lipi
Smith, Jeremy C.
Daidone, Isabella
TI Common Folding Mechanism of a Peptide Revealed by Multiple MD
Simulations
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Thukral, Lipi] Heidelberg Univ, Heidelberg, Germany.
[Smith, Jeremy C.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Daidone, Isabella] Univ Aquila, Coppito, AQ, Italy.
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
PY 2010
VL 98
IS 3
SU 1
BP 199A
EP 200A
PG 2
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762001506
ER
PT J
AU Werner, JH
Wells, NP
Lessard, GA
Phipps, ME
Cutler, PJ
Lidke, DS
Wilson, BS
AF Werner, James H.
Wells, Nathan P.
Lessard, Guillaume A.
Phipps, Mary E.
Cutler, Patrick J.
Lidke, Diane S.
Wilson, Bridget S.
TI Confocal, 3D Tracking of Single Quantum Dots: Following Receptor Traffic
and Membrane Topology
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Werner, James H.; Wells, Nathan P.; Lessard, Guillaume A.; Phipps, Mary E.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Cutler, Patrick J.; Lidke, Diane S.; Wilson, Bridget S.] Univ New Mexico, Albuquerque, NM 87131 USA.
RI Wells, Nathan/B-8744-2014
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
PY 2010
VL 98
IS 3
SU 1
BP 203A
EP 203A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002012
ER
PT J
AU Garg, S
Porcar, L
Butler, P
Castro-Roman, F
Perez-Salas, U
AF Garg, Sumit
Porcar, Lionel
Butler, Paul
Castro-Roman, Francisco
Perez-Salas, Ursula
TI In-situ Measurement of Cholesterol Transport in Model-Membrane Systems
Studied by Time Resolve Small Angle Neutron Scattering and Comparison
with MD Simulation
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Garg, Sumit] Argonne Natl Lab, Argonne, IL 60439 USA.
[Porcar, Lionel] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France.
[Butler, Paul] NIST, Gaithersburg, MD 20899 USA.
[Castro-Roman, Francisco] IPN, CINVESTAV, Mexico City 07738, DF, Mexico.
[Perez-Salas, Ursula] Univ Illinois, Chicago, IL USA.
RI Butler, Paul/D-7368-2011
NR 0
TC 0
Z9 0
U1 0
U2 5
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
PY 2010
VL 98
IS 3
SU 1
BP 204A
EP 204A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002018
ER
PT J
AU Ivankin, A
Kuzmenko, I
Gidalevitz, D
AF Ivankin, Andrey
Kuzmenko, Ivan
Gidalevitz, David
TI Molecular Organization of Cholesterol in Phospholipids
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Ivankin, Andrey; Gidalevitz, David] IIT, Chicago, IL 60616 USA.
[Kuzmenko, Ivan] Argonne Natl Lab, APS, Argonne, IL 60439 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
PY 2010
VL 98
IS 3
SU 1
BP 204A
EP 204A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002017
ER
PT J
AU Pertsinidis, A
Zhang, YX
Chu, S
AF Pertsinidis, Alexandros
Zhang, Yunxiang
Chu, Steven
TI Far Field Fluorescence Super Resolution Imaging of Molecular Scale
Biological Structures
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Pertsinidis, Alexandros; Zhang, Yunxiang; Chu, Steven] Univ Calif Berkeley, Berkeley, CA USA.
[Chu, Steven] US DOE, Washington, DC 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
PY 2010
VL 98
IS 3
SU 1
BP 204A
EP 204A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002016
ER
PT J
AU Lowe, AR
Siegel, JJ
Kalab, P
Siu, M
Weis, K
Liphardt, JT
AF Lowe, Alan R.
Siegel, Jake J.
Kalab, Petr
Siu, Merek
Weis, Karsten
Liphardt, Jan T.
TI Selectivity Mechanism of the Nuclear Pore Complex Characterized by
Single Cargo Tracking
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Lowe, Alan R.; Weis, Karsten; Liphardt, Jan T.] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Siegel, Jake J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Kalab, Petr] NCI, Bethesda, MD 20892 USA.
[Siu, Merek] Illumina Inc, Hayward, CA USA.
NR 0
TC 0
Z9 0
U1 2
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
PY 2010
VL 98
IS 3
SU 1
BP 209A
EP 209A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002043
ER
PT J
AU Ding, SY
AF Ding, Shi-you
TI Biophysics in Cellulose Biosynthesis and Biodegradation
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Ding, Shi-you] Natl Renewable Energy Lab, Golden, CO 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
PY 2010
VL 98
IS 3
SU 1
BP 210A
EP 210A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002048
ER
PT J
AU Berry, JD
DeCaro, CM
Bricarello, DA
Ma, YC
Mukhopadyay, M
Chen, G
Jiang, Z
Sandy, A
Narayanan, S
Parikh, AN
Sinha, SK
Lurio, LB
AF Berry, Justin D.
DeCaro, Curt M.
Bricarello, Daniel A.
Ma, Yicong
Mukhopadyay, Mrinmay
Chen, Gang
Jiang, Zhang
Sandy, Alec
Narayanan, Suresh
Parikh, Atul N.
Sinha, Sunil K.
Lurio, Laurence B.
TI Dynamic and Static Measurements of A Single and Double Phospholipid
Bilayer System
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Berry, Justin D.; DeCaro, Curt M.; Lurio, Laurence B.] No Illinois Univ, De Kalb, IL USA.
[Bricarello, Daniel A.; Parikh, Atul N.] Univ Calif Davis, Davis, CA 95616 USA.
[Ma, Yicong; Mukhopadyay, Mrinmay; Chen, Gang; Sinha, Sunil K.] Univ Calif San Diego, La Jolla, CA 92093 USA.
[Jiang, Zhang; Sandy, Alec; Narayanan, Suresh] Argonne Natl Lab, Argonne, IL 60439 USA.
RI PARIKH, ATUL/D-2243-2014
OI PARIKH, ATUL/0000-0002-5927-4968
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
PY 2010
VL 98
IS 3
SU 1
BP 220A
EP 220A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002095
ER
PT J
AU Garg, S
Porcar, L
Butler, P
Perez-Salas, U
AF Garg, Sumit
Porcar, Lionel
Butler, Paul
Perez-Salas, Ursula
TI Understanding the Behavior of Nanometer-Size Lipid Domains in Model
Membranes: A Small Angle Neutron Scattering Study
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Garg, Sumit] Argonne Natl Lab, Argonne, IL 60439 USA.
[Porcar, Lionel] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France.
[Butler, Paul] NIST, Gaithersburg, MD 20899 USA.
[Perez-Salas, Ursula] Univ Illinois, Chicago, IL USA.
RI Butler, Paul/D-7368-2011
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
PY 2010
VL 98
IS 3
SU 1
BP 231A
EP 231A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002152
ER
PT J
AU Kent, MS
Murton, JK
Satija, S
Akgun, B
Nanda, H
Curtis, J
Majewski, J
Morgan, C
Engen, JR
AF Kent, Michael S.
Murton, Jaclyn K.
Satija, Sushil
Akgun, Bulent
Nanda, Hirsh
Curtis, Joseph
Majewski, Jaroslaw
Morgan, Christopher
Engen, John R.
TI A Study of the Conformation of HIV Nef Bound to Lipid Membranes by
Neutron Reflectivity
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Kent, Michael S.; Murton, Jaclyn K.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Satija, Sushil; Akgun, Bulent; Nanda, Hirsh; Curtis, Joseph] NIST, Gaithersburg, MD 20899 USA.
[Majewski, Jaroslaw] Los Alamos Natl Labs, Los Alamos, NM USA.
[Morgan, Christopher; Engen, John R.] Northeastern Univ, Boston, MA 02115 USA.
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
PY 2010
VL 98
IS 3
SU 1
BP 233A
EP 233A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002160
ER
PT J
AU Ramanathan, A
Savol, A
Langmead, C
Agarwal, P
Chennubhotla, SC
AF Ramanathan, Arvind
Savol, Andrej
Langmead, Chris
Agarwal, Pratul
Chennubhotla, S. Chakra
TI High-Order Correlations in Internal Protein Motions and Energetics
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Ramanathan, Arvind; Langmead, Chris] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA.
[Savol, Andrej; Chennubhotla, S. Chakra] Univ Pittsburgh, Pittsburgh, PA USA.
[Agarwal, Pratul] Oak Ridge Natl Lab, Oak Ridge, TN USA.
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
PY 2010
VL 98
IS 3
SU 1
BP 235A
EP 236A
PG 2
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002176
ER
PT J
AU Smolin, N
Lindner, B
Guo, HB
Smith, JC
AF Smolin, Nikolay
Lindner, Benjamin
Guo, Hao-Bo
Smith, Jeremy C.
TI Integration of Computer Simulation and Neutron Scattering in the
Characterization of Protein Dynamics
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Smolin, Nikolay; Lindner, Benjamin; Guo, Hao-Bo; Smith, Jeremy C.] Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN 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
PY 2010
VL 98
IS 3
SU 1
BP 237A
EP 237A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002182
ER
PT J
AU Camp, P
Biernat, J
Mandelkow, E
Majewski, J
Chi, EY
AF Camp, Philip
Biernat, Jacek
Mandelkow, Eckhard
Majewski, Jaroslaw
Chi, Eva Y.
TI Lipid-Membrane Mediated Tau Misfolding and Aggregation
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Camp, Philip; Chi, Eva Y.] Univ New Mexico, Albuquerque, NM 87131 USA.
[Biernat, Jacek; Mandelkow, Eckhard] DESY, Max Planck Unit Struct Mol Biol, Hamburg, Germany.
[Majewski, Jaroslaw] Los Alamos Neutron Sci Ctr, 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
PY 2010
VL 98
IS 3
SU 1
BP 239A
EP 240A
PG 2
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002199
ER
PT J
AU Carter, L
Gabanyi, M
Berman, HM
Adams, P
AF Carter, Lester
Gabanyi, Maggie
Berman, Helen M.
Adams, Paul
TI The PSI SGKB Technology Portal - An Online Database of Structural
Genomics Technologies
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Carter, Lester; Adams, Paul] LBL, Berkeley, CA USA.
[Gabanyi, Maggie; Berman, Helen M.] Rutgers, New Brunswick, NJ USA.
RI Carter, Lester/G-6561-2014
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
PY 2010
VL 98
IS 3
SU 1
BP 250A
EP 250A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002254
ER
PT J
AU Kouranov, A
Westbrook, J
Gabanyi, M
Tao, YP
Shah, R
Schwede, T
Arnold, K
Kiefer, F
Bordoli, L
Adams, P
Carter, L
Minor, W
Nair, R
LaBaer, J
Berman, HM
AF Kouranov, Andrei
Westbrook, John
Gabanyi, Margaret
Tao, Yi-Ping
Shah, Raship
Schwede, Torsten
Arnold, Konstantin
Kiefer, Florian
Bordoli, Lorenza
Adams, Paul
Carter, Lester
Minor, Wladek
Nair, Rajesh
LaBaer, Joshua
Berman, Helen M.
TI How to use the PSI Structural Genomics Knowledgebase to Enable Research
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Kouranov, Andrei; Westbrook, John; Gabanyi, Margaret; Tao, Yi-Ping; Shah, Raship; Berman, Helen M.] Rutgers State Univ, Piscataway, NJ USA.
[Schwede, Torsten; Arnold, Konstantin; Kiefer, Florian; Bordoli, Lorenza] Univ Basel, Basel, Switzerland.
[Adams, Paul; Carter, Lester] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Minor, Wladek] Univ Virginia, Charlottesville, VA USA.
[Nair, Rajesh] Columbia Univ, New York, NY USA.
[LaBaer, Joshua] Arizona State Univ, Tempe, AZ USA.
RI Minor, Wladek/F-3096-2014; Carter, Lester/G-6561-2014
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
PY 2010
VL 98
IS 3
SU 1
BP 250A
EP 250A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002256
ER
PT J
AU Whitford, PC
Geggier, P
Altman, R
Blanchard, SC
Onuchic, JN
Sanbonmatsu, KY
AF Whitford, Paul C.
Geggier, Peter
Altman, Roger
Blanchard, Scott C.
Onuchic, Jose' N.
Sanbonmatsu, Kevin Y.
TI Pathways are Involved in the Large-Scale Functional Motions of tRNA
During Translation
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Whitford, Paul C.; Sanbonmatsu, Kevin Y.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Geggier, Peter; Altman, Roger; Blanchard, Scott C.] Weill Cornell Med Coll, New York, NY USA.
[Onuchic, Jose' N.] UCSD, Ctr Theoret Biol Phys, La Jolla, 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
PY 2010
VL 98
IS 3
SU 1
BP 259A
EP 259A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002305
ER
PT J
AU Vaiana, AC
Grubmueller, H
Sanbonmatsu, KY
AF Vaiana, Andrea C.
Grubmueller, Helmut
Sanbonmatsu, Kevin Y.
TI Simulations of the Bacterial Ribosomal Decoding Switch
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Vaiana, Andrea C.; Grubmueller, Helmut] Max Planck Inst Biophys Chem, D-37077 Gottingen, Germany.
[Sanbonmatsu, Kevin Y.] Los Alamos Natl Lab, Los Alamos, NM USA.
NR 0
TC 0
Z9 0
U1 1
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
PY 2010
VL 98
IS 3
SU 1
BP 260A
EP 260A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002308
ER
PT J
AU Berezniak, T
Imhof, P
Jaschke, A
Smith, JC
AF Berezniak, Tomasz
Imhof, Petra
Jaeschke, Andres
Smith, Jeremy C.
TI Dynamics of the Catalytic Pocket of a Diels-Alder Ribozyme
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Berezniak, Tomasz; Imhof, Petra] Heidelberg Univ, Interdisciplinary Ctr Sci Comp, Heidelberg, Germany.
[Berezniak, Tomasz; Jaeschke, Andres] Heidelberg Univ, Inst Pharm & Mol Biotechnol, Heidelberg, Germany.
[Smith, Jeremy C.] Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN 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
PY 2010
VL 98
IS 3
SU 1
BP 263A
EP 263A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002325
ER
PT J
AU Yang, L
Wang, ST
Fukuto, M
AF Yang, Lin
Wang, Suntao
Fukuto, Masafumi
TI Analysis of the Structure and Interaction in Two-Dimensional Assemblies
of Tobacco Mosaic Viruses on Model Lipid Membranes
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Yang, Lin; Wang, Suntao; Fukuto, Masafumi] Brookhaven Natl Lab, Upton, NY 11973 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
PY 2010
VL 98
IS 3
SU 1
BP 282A
EP 282A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002427
ER
PT J
AU Goksu, EI
Nellis, BA
Satcher, JH
Risbud, SH
Longo, ML
AF Goksu, Emel I.
Nellis, Barbara A.
Satcher, Joe H., Jr.
Risbud, Subhash H.
Longo, Marjorie L.
TI Xerogel-Supported Lipid Bilayers: Effect of Surface Curvature and
Surface Chemistry on Bilayer Properties
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Goksu, Emel I.; Nellis, Barbara A.; Risbud, Subhash H.; Longo, Marjorie L.] Univ Calif Davis, Davis, CA USA.
[Nellis, Barbara A.; Satcher, Joe H., Jr.] 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
PY 2010
VL 98
IS 3
SU 1
BP 283A
EP 283A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762002432
ER
PT J
AU Pesavento, JB
Huang, HH
Balsara, NP
Downing, KH
AF Pesavento, Joseph B.
Huang, Hector H.
Balsara, Nitash P.
Downing, Kenneth H.
TI Trapping and Polymerization of Tubulin Within Phospholipid Vesicles
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Pesavento, Joseph B.; Huang, Hector H.; Balsara, Nitash P.; Downing, Kenneth H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 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
PY 2010
VL 98
IS 3
SU 1
BP 361A
EP 361A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762003301
ER
PT J
AU Tanner, K
Bissell, MJ
Kumar, S
AF Tanner, Kandice
Bissell, Mina J.
Kumar, Sanjay
TI Spatially Dissecting the Viscoelastic Recoil and Cell Shape
Contributions of Actomyosin Stress Fiber Bundles
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Tanner, Kandice; Kumar, Sanjay] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Bissell, Mina J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 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
PY 2010
VL 98
IS 3
SU 1
BP 364A
EP 364A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762003317
ER
PT J
AU Sindelar, CV
Downing, KH
AF Sindelar, Charles V.
Downing, Kenneth H.
TI An Atomic-Level Engine that Accounts for Kinesin Motility and Catalysis
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Sindelar, Charles V.; Downing, Kenneth H.] Brandeis Univ, Waltham, MA USA.
[Sindelar, Charles V.; Downing, Kenneth H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 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
PY 2010
VL 98
IS 3
SU 1
BP 368A
EP 368A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762003337
ER
PT J
AU McClendon, CL
Friedland, G
Jacobson, MP
AF McClendon, Christopher L.
Friedland, Gregory
Jacobson, Matthew P.
TI Quantifying Correlations Between Allosteric Sites in Thermodynamic
Ensembles
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [McClendon, Christopher L.; Jacobson, Matthew P.] Univ Calif San Francisco, San Francisco, CA 94143 USA.
[Friedland, Gregory] Joint Bioenergy Inst, Sandia Natl Labs, Emeryville, 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
PY 2010
VL 98
IS 3
SU 1
BP 384A
EP 385A
PG 2
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762003418
ER
PT J
AU Sivak, DA
Crooks, GE
AF Sivak, David A.
Crooks, Gavin E.
TI Thermodynamic Efficiency Out of Equilibrium
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Sivak, David A.; Crooks, Gavin E.] 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
PY 2010
VL 98
IS 3
SU 1
BP 387A
EP 388A
PG 2
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762003434
ER
PT J
AU Zwolak, M
Lagerqvist, J
Di Ventra, M
AF Zwolak, Michael
Lagerqvist, Johan
Di Ventra, Massimiliano
TI Quantized Ionic Conductance in Nanopores
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Zwolak, Michael] Los Alamos Natl Lab, Los Alamos, NM USA.
[Lagerqvist, Johan; Di Ventra, Massimiliano] Univ Calif San Diego, La Jolla, CA 92093 USA.
NR 1
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
PY 2010
VL 98
IS 3
SU 1
BP 422A
EP 422A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004103
ER
PT J
AU Alekozai, EM
Cheng, XL
Smith, JC
AF Alekozai, Emal M.
Cheng, Xiaolin
Smith, Jeremy C.
TI Analysis of the Cellulose-Cellulase Interaction
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Alekozai, Emal M.] Heidelberg Univ, Interdisciplinary Ctr Sci Comp, Heidelberg, Germany.
[Cheng, Xiaolin; Smith, Jeremy C.] Oak Ridge Natl Lab, ORNL Ctr Mol Biophys, Oak Ridge, TN USA.
NR 3
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
PY 2010
VL 98
IS 3
SU 1
BP 433A
EP 433A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004161
ER
PT J
AU Coats, J
Lang, WH
Lin, YY
McMurray, CT
Rasnik, I
AF Coats, Julie
Lang, Walter H.
Lin, Yuyen
McMurray, Cynthia T.
Rasnik, Ivan
TI DNA Conformational Dynamics in Mismatch Recognition
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Coats, Julie; Lin, Yuyen; Rasnik, Ivan] Emory Univ, Atlanta, GA 30322 USA.
[Lang, Walter H.; McMurray, Cynthia T.] Lawrence Berkeley Labs, Berkeley, CA USA.
[McMurray, Cynthia T.] Mayo Fdn, Rochester, MN USA.
NR 0
TC 0
Z9 0
U1 1
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
PY 2010
VL 98
IS 3
SU 1
BP 437A
EP 437A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004184
ER
PT J
AU Vrljic, M
Strop, P
Ernst, JA
Sutton, RB
Chu, S
Brunger, AT
AF Vrljic, Marija
Strop, Pavel
Ernst, James A.
Sutton, R. Bryan
Chu, Steven
Brunger, Axel T.
TI Molecular Mechanism of the Synaptotagmin-Snare Interaction in
Ca2+-Triggered Vesicle Fusion
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Vrljic, Marija; Strop, Pavel; Ernst, James A.; Brunger, Axel T.] Stanford Univ, Stanford, CA 94305 USA.
[Sutton, R. Bryan] Texas Tech Univ, Lubbock, TX 79409 USA.
[Chu, Steven] Univ Calif Berkeley, LBNL, Berkeley, CA USA.
NR 0
TC 0
Z9 0
U1 1
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
PY 2010
VL 98
IS 3
SU 1
BP 439A
EP 439A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004192
ER
PT J
AU Zahran, M
Daidone, I
Imhof, P
Smith, JC
AF Zahran, Mai
Daidone, Isabella
Imhof, Petra
Smith, Jeremy C.
TI Mechanism of DNA Recognition by EcoRV
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Zahran, Mai; Daidone, Isabella; Imhof, Petra; Smith, Jeremy C.] Heidelberg Univ, IWR, Heidelberg, Germany.
[Daidone, Isabella] Univ Aquila, Dipartimento Chim Ingn Chim & Mat, Coppito, AQ, Italy.
[Smith, Jeremy C.] Oak Ridge Natl Lab, Ctr Biophys Mol, 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
PY 2010
VL 98
IS 3
SU 1
BP 444A
EP 444A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004221
ER
PT J
AU Liu, HB
Pereira, JH
Adams, P
Simmons, B
Sapra, R
Sale, K
AF Liu, Hanbin
Pereira, Jose Henrique
Adams, Paul
Simmons, Blake
Sapra, Rajat
Sale, Ken
TI The N-Terminal Ig Domain of Endoglucanase Cel9A from the
Thermoacidophilic Alicyclobacillus Acidocaldarius Enhances Protein
Stability
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Liu, Hanbin; Simmons, Blake; Sapra, Rajat; Sale, Ken] Sandia Natl Labs, Livermore, CA USA.
[Liu, Hanbin; Pereira, Jose Henrique; Adams, Paul; Simmons, Blake; Sapra, Rajat; Sale, Ken] Joint BioEnergy Inst, Emeryville, CA USA.
[Pereira, Jose Henrique; Adams, Paul] 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
PY 2010
VL 98
IS 3
SU 1
BP 451A
EP 451A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004259
ER
PT J
AU Stanley, CB
O'Neill, HM
Rowe, EL
Berthelier, VM
AF Stanley, Christopher B.
O'Neill, Hugh M.
Rowe, Erica L.
Berthelier, Valerie M.
TI Sans and Osmotic Stress Approach to Study Protein Preferential Hydration
and Association
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Stanley, Christopher B.; O'Neill, Hugh M.; Rowe, Erica L.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Rowe, Erica L.; Berthelier, Valerie M.] Univ Tennessee Med Ctr, Knoxville, TN 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
PY 2010
VL 98
IS 3
SU 1
BP 452A
EP 452A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004264
ER
PT J
AU Kim, SJ
Phillips, J
Martel, A
Schneidman, D
Sauder, M
Rout, MP
Tsuruta, H
Sali, A
AF Kim, Seung Joong
Phillips, Jeremy
Martel, Anne
Schneidman, Dina
Sauder, Michael
Rout, Michael P.
Tsuruta, Hiro
Sali, Andrej
TI Determination of the Pseudo-Atomic Structure of Nuclear Pore Complex
(NPC) Components by Small Angle X-Ray Scattering (SAXS) and
Computational Modeling
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Kim, Seung Joong; Phillips, Jeremy; Schneidman, Dina; Sali, Andrej] Univ Calif San Francisco, San Francisco, CA 94143 USA.
[Martel, Anne; Tsuruta, Hiro] Stanford Synchrotron Radiat Lab, Menlo Pk, CA USA.
[Sauder, Michael] Eli Lilly & Co, San Diego, CA USA.
[Rout, Michael P.] Rockefeller Univ, New York, NY 10021 USA.
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
PY 2010
VL 98
IS 3
SU 1
BP 461A
EP 461A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004310
ER
PT J
AU Wilson, DP
Lillian, T
Tkachenko, A
Perkins, NC
Meiners, JC
AF Wilson, David P.
Lillian, Todd
Tkachenko, Alexei
Perkins, Noel C.
Meiners, Jens-Christian
TI A Generalized Theory of DNA Cyclization and Loop Formation
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Wilson, David P.; Lillian, Todd; Perkins, Noel C.; Meiners, Jens-Christian] Univ Michigan, Ann Arbor, MI 48109 USA.
[Tkachenko, Alexei] Brookhaven Natl Lab, Upton, NY 11973 USA.
RI Lillian, Todd/C-3774-2008
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
PY 2010
VL 98
IS 3
SU 1
BP 469A
EP 469A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004354
ER
PT J
AU Kilburn, JD
Roh, JH
Guo, L
Briber, RM
Woodson, SA
AF Kilburn, John D.
Roh, Joon Ho
Guo, Liang
Briber, Robert M.
Woodson, Sarah A.
TI Folding of Bacterial Group I Ribozyme in Crowded Solutions
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Kilburn, John D.; Woodson, Sarah A.] Johns Hopkins Univ, Baltimore, MD USA.
[Roh, Joon Ho; Briber, Robert M.] Univ Maryland, College Pk, MD 20742 USA.
[Guo, Liang] Argonne Natl Lab, Adv Photon Source, BioCAT, Chicago, IL 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
PY 2010
VL 98
IS 3
SU 1
BP 472A
EP 472A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004370
ER
PT J
AU Roh, JH
Guo, L
Kilburn, D
Behrouzi, R
Briber, RM
Irving, T
Woodson, SA
AF Roh, Joon Ho
Guo, Liang
Kilburn, Duncan
Behrouzi, Reza
Briber, Robert M.
Irving, Thomas
Woodson, Sarah A.
TI Time-Resolved Multiphase Folding of Bacterial Group I Ribozyme
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Roh, Joon Ho; Briber, Robert M.] Univ Maryland, College Pk, MD 20742 USA.
[Roh, Joon Ho; Kilburn, Duncan; Behrouzi, Reza; Woodson, Sarah A.] Johns Hopkins Univ, Baltimore, MD USA.
[Guo, Liang; Irving, Thomas] Argonne Natl Lab, Argonne, IL 60439 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
PY 2010
VL 98
IS 3
SU 1
BP 472A
EP 472A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004369
ER
PT J
AU Biswas, M
Langowski, J
Smith, JC
AF Biswas, Mithun
Langowski, Joerg
Smith, Jeremy C.
TI DNA Loop Formation in Nucleosomes
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Biswas, Mithun; Smith, Jeremy C.] Heidelberg Univ, Heidelberg, Germany.
[Langowski, Joerg] German Canc Res Ctr, Heidelberg, Germany.
[Smith, Jeremy C.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RI Langowski, Jorg/A-1843-2011
OI Langowski, Jorg/0000-0001-8600-0666
NR 2
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
PY 2010
VL 98
IS 3
SU 1
BP 476A
EP 476A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004392
ER
PT J
AU Brewer, LR
Cree, L
Corzett, M
Balhorn, R
AF Brewer, Laurence R.
Cree, Laura
Corzett, Michele
Balhorn, Rod
TI DNA-Protamine Toroids Pull on their Attachment Points
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Brewer, Laurence R.; Cree, Laura] Washington State Univ, Pullman, WA 99164 USA.
[Corzett, Michele] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Balhorn, Rod] Univ Calif Davis, Davis, CA 95616 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
PY 2010
VL 98
IS 3
SU 1
BP 477A
EP 477A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004399
ER
PT J
AU Sanders, CR
Beel, A
Kim, HJ
Mobley, CK
Jap, B
Tian, F
Prestegard, J
Barrett, P
AF Sanders, Charles R.
Beel, Andrew
Kim, Hak Jun
Mobley, Charles K.
Jap, Bing
Tian, Fang
Prestegard, James
Barrett, Paul
TI Structure and Cholesterol Binding Properties of the Amyloid Precursor
Protein (APP)
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Sanders, Charles R.; Beel, Andrew; Kim, Hak Jun; Mobley, Charles K.; Barrett, Paul] Vanderbilt Univ, Nashville, TN 37235 USA.
[Jap, Bing] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Tian, Fang; Prestegard, James] Univ Georgia, Complex Carbohydrate Res Ctr, Athens, GA 30602 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
PY 2010
VL 98
IS 3
SU 1
BP 483A
EP 484A
PG 2
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004429
ER
PT J
AU Rodgers, JM
Whitelam, S
Smit, B
AF Rodgers, Jocelyn M.
Whitelam, Stephen
Smit, Berend
TI Modeling Lipid-Mediated Transmembrane Protein Aggregation
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Rodgers, Jocelyn M.; Whitelam, Stephen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Smit, Berend] Univ Calif Berkeley, 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
PY 2010
VL 98
IS 3
SU 1
BP 487A
EP 487A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004448
ER
PT J
AU Watkins, E
Miller, CE
Majewski, J
Kuhl, T
AF Watkins, Erik
Miller, Chad E.
Majewski, Jaroslaw
Kuhl, Tonya
TI Molecular Scale Texture and Topological Defects in Lipid Membranes: A
New Liquid Crystalline Phase
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Watkins, Erik; Kuhl, Tonya] Univ Calif Davis, Davis, CA USA.
[Miller, Chad E.] Stanford Synchrotron Light Source, Menlo Pk, CA USA.
[Majewski, Jaroslaw] Los Alamos Natl Lab, Los Alamos, NM 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
PY 2010
VL 98
IS 3
SU 1
BP 488A
EP 488A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004455
ER
PT J
AU Nair, PM
Salaita, K
Das, D
Gray, JW
Groves, JT
AF Nair, Pradeep M.
Salaita, Khalid
Das, Debopriya
Gray, Joe W.
Groves, Jay T.
TI Probing Mechanical Regulation of Receptor Signaling Using a Hybrid Live
Cell-Supported Membrane Synapse
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Nair, Pradeep M.; Salaita, Khalid; Groves, Jay T.] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Salaita, Khalid; Das, Debopriya; Gray, Joe W.; Groves, Jay T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Gray, Joe W.] Univ Calif San Francisco, San Francisco, CA 94143 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
PY 2010
VL 98
IS 3
SU 1
BP 494A
EP 494A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004485
ER
PT J
AU Schiess, ARB
Carles, EL
Murton, JK
Carson, B
Branda, C
James, CD
Rempe, SB
AF Schiess, Adrian R. Boese
Carles, Elizabeth L.
Murton, Jaclyn K.
Carson, Bryan
Branda, Catherine
James, Conrad D.
Rempe, Susan B.
TI Electrophysiology and Live Fluorescence Imaging to Monitor the Effects
of Potassium Channel Blockade on Lipopolysaccharide-Induced Immune
Signaling
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Schiess, Adrian R. Boese; Carles, Elizabeth L.; Murton, Jaclyn K.; Carson, Bryan; James, Conrad D.; Rempe, Susan B.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Branda, Catherine] Sandia Natl Labs, Livermore, CA 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
PY 2010
VL 98
IS 3
SU 1
BP 495A
EP 495A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762004492
ER
PT J
AU Cao, Y
Quick, M
Rajashankar, K
Zhou, M
AF Cao, Yu
Quick, Matthias
Rajashankar, Kanagalaghatta
Zhou, Ming
TI Structural and Functional Studies of Bacterial TrkG Potassium
Transporters
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Cao, Yu; Zhou, Ming] Columbia Univ, Coll Phys & Surg, Dept Physiol & Cellular Biophys, New York, NY USA.
[Quick, Matthias] Columbia Univ, Coll Phys & Surg, Dept Psychiat, New York, NY USA.
[Rajashankar, Kanagalaghatta] Cornell Univ, NE CAT, Argonne, IL USA.
[Rajashankar, Kanagalaghatta] Cornell Univ, Dept Chem & Chem Biol, Argonne, IL USA.
[Rajashankar, Kanagalaghatta] Argonne Natl Lab, Argonne, IL 60439 USA.
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
PY 2010
VL 98
IS 3
SU 1
BP 506A
EP 506A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762005023
ER
PT J
AU Petridis, L
Smith, JC
AF Petridis, Loukas
Smith, Jeremy C.
TI Towards a Computational Model of Lignocellulose: Molecular Simulation of
Lignin
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Petridis, Loukas; Smith, Jeremy C.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
NR 2
TC 0
Z9 0
U1 4
U2 6
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
PY 2010
VL 98
IS 3
SU 1
BP 567A
EP 567A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762005324
ER
PT J
AU Klingelhoefer, JW
Carpenter, T
Parton, DL
Sansom, MSP
AF Klingelhoefer, Jochen W.
Carpenter, Timothy
Parton, Daniel L.
Sansom, Mark S. P.
TI Biophysics of Transmembrane Pores - Interactions by Coarse-Grained
Molecular Dynamics Simulation
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Klingelhoefer, Jochen W.; Parton, Daniel L.; Sansom, Mark S. P.] Univ Oxford, Oxford, England.
[Carpenter, Timothy] Lawrence Livermore Natl Lab, Livermore, CA 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
PY 2010
VL 98
IS 3
SU 1
BP 570A
EP 570A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762005342
ER
PT J
AU Davis, RW
Jones, HDT
Carles, EL
Sinclair, MB
Rempe, SL
AF Davis, Ryan W.
Jones, Howland D. T.
Carles, Elizabeth L.
Sinclair, Michael B.
Rempe, Susan L.
TI Exploiting the Environmental Sensitivity of Fluorescent Proteins Allows
Unambiguous Discrimination of Genetically Identical Labels
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Davis, Ryan W.] Sandia Natl Labs, Livermore, CA USA.
[Jones, Howland D. T.; Carles, Elizabeth L.; Sinclair, Michael B.; Rempe, Susan L.] Sandia Natl Labs, Albuquerque, NM 87185 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
PY 2010
VL 98
IS 3
SU 1
BP 581A
EP 581A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762005407
ER
PT J
AU Knierim, B
Wilmes, P
Webb, RI
McDonald, K
Comolli, L
Luef, B
Downing, KH
Banfield, J
Hugenholtz, P
Liphardt, J
Auer, M
AF Knierim, Bernhard
Wilmes, Paul
Webb, Rick I.
McDonald, Kent
Comolli, Luis
Luef, Birgit
Downing, Kenneth H.
Banfield, Jill
Hugenholtz, Phil
Liphardt, Jan
Auer, Manfred
TI Correlative TEM/FISH Imaging of Microbial Communities
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Knierim, Bernhard; Comolli, Luis; Luef, Birgit; Downing, Kenneth H.; Liphardt, Jan; Auer, Manfred] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Knierim, Bernhard; Hugenholtz, Phil; Auer, Manfred] Joint BioEnergy Inst, Emeryville, CA USA.
[Wilmes, Paul; McDonald, Kent; Banfield, Jill; Liphardt, Jan] Univ Calif Berkeley, Berkeley, CA USA.
[Webb, Rick I.] Univ Queensland, Brisbane, Qld, Australia.
[Hugenholtz, Phil] Joint Genome Inst, Walnut Creek, CA USA.
NR 0
TC 0
Z9 0
U1 1
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
PY 2010
VL 98
IS 3
SU 1
BP 581A
EP 581A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762005406
ER
PT J
AU Smith, AM
Pradhan, P
Loque, D
Lacayo, CI
Thelen, M
Heazlewood, J
AF Smith, Andreia M.
Pradhan, Prajakta
Loque, Dominique
Lacayo, Catherine I.
Thelen, Micheal
Heazlewood, Joshua
TI Fluorescent Lifetime Imaging of Lignin in the Plant Cell Wall
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Smith, Andreia M.; Pradhan, Prajakta; Loque, Dominique; Heazlewood, Joshua] Lawrence Berkeley Natl Labs, Joint BioEnergy Inst, Emeryville, CA USA.
[Lacayo, Catherine I.; Thelen, Micheal] Lawrence Livermore Natl Lab, Livermore, CA USA.
RI Loque, Dominique/A-8153-2008
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
PY 2010
VL 98
IS 3
SU 1
BP 581A
EP 581A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762005404
ER
PT J
AU Yeh, HCT
Sharma, J
Martinez, JS
Werner, JH
AF Yeh, Hsin-Chih T.
Sharma, Jaswinder
Martinez, Jennifer S.
Werner, James H.
TI Photoinduced-Electron Transfer between Guanine Bases and Silver
Nanoclusters Enables Increased Shelf Life
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Yeh, Hsin-Chih T.; Sharma, Jaswinder; Martinez, Jennifer S.; Werner, James H.] Los Alamos Natl Lab, Los Alamos, NM USA.
NR 0
TC 0
Z9 0
U1 3
U2 12
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
PY 2010
VL 98
IS 3
SU 1
BP 583A
EP 584A
PG 2
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762005419
ER
PT J
AU Malik, MD
Cutler, P
Sinclair, M
Lidke, D
Lidke, KA
AF Malik, Michael D.
Cutler, Patrick
Sinclair, Michael
Lidke, Diane
Lidke, Keith A.
TI Hyperspectral Line Scanning Microscopy for High-Speed Multicolor Quantum
Dot Tracking
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Malik, Michael D.; Cutler, Patrick; Lidke, Diane; Lidke, Keith A.] Univ New Mexico, Albuquerque, NM 87131 USA.
[Sinclair, Michael] Sandia Natl Labs, Albuquerque, NM 87185 USA.
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
PY 2010
VL 98
IS 3
SU 1
BP 585A
EP 585A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762005429
ER
PT J
AU Arbour, TJ
Loman, A
Gregor, I
Enderlein, J
AF Arbour, Tyler J.
Loman, Anastasia
Gregor, Ingo
Enderlein, Joerg
TI Dual-Focus Confocal Microscopy for Flow and Brightness Measurements
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Arbour, Tyler J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Arbour, Tyler J.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA USA.
[Loman, Anastasia; Gregor, Ingo; Enderlein, Joerg] Univ Gottingen, D-37073 Gottingen, Germany.
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
PY 2010
VL 98
IS 3
SU 1
BP 586A
EP 586A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762005431
ER
PT J
AU Powell, M
Vlassiouk, I
Letant, S
Siwy, Z
AF Powell, Matthew
Vlassiouk, Ivan
Letant, Sonia
Siwy, Zuzanna
TI Studying Voltage Dependent Noise in Polymer and Solid State Nanopores
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Powell, Matthew; Vlassiouk, Ivan; Siwy, Zuzanna] Univ Calif Irvine, Irvine, CA USA.
[Letant, Sonia] Lawrence Livermore Natl Lab, Livermore, CA USA.
NR 0
TC 0
Z9 0
U1 2
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
PY 2010
VL 98
IS 3
SU 1
BP 601A
EP 601A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762005516
ER
PT J
AU Pauzauskie, PJ
Laurence, T
Chromy, B
Hsu, HY
Wu, M
AF Pauzauskie, Peter J.
Laurence, Ted
Chromy, Brett
Hsu, Hsan-yin
Wu, Ming
TI Parallel, Non-Contact Trapping and Translation of Yersenia Pestis
Bacteria with Optoelectronic Tweezers
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Pauzauskie, Peter J.; Laurence, Ted; Chromy, Brett] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Hsu, Hsan-yin; Wu, Ming] Univ Calif Berkeley, Berkeley, CA 94720 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
PY 2010
VL 98
IS 3
SU 1
BP 610A
EP 611A
PG 2
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006049
ER
PT J
AU Qian, S
Yang, L
Huang, HW
AF Qian, Shuo
Yang, Lin
Huang, Huey W.
TI Point Contact between Membranes Precursory to Fusion
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Qian, Shuo] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Yang, Lin] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Huang, Huey W.] Rice Univ, Houston, TX USA.
OI Qian, Shuo/0000-0002-4842-828X
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
PY 2010
VL 98
IS 3
SU 1
BP 615A
EP 615A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006075
ER
PT J
AU Friddle, RW
Talkner, P
De Yoreo, JJ
AF Friddle, Raymond W.
Talkner, Peter
De Yoreo, James J.
TI Analysis of Reversible Two-State Systems Under Force
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Friddle, Raymond W.; De Yoreo, James J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Talkner, Peter] Univ Augsburg, Inst Phys, D-86159 Augsburg, Germany.
NR 0
TC 0
Z9 0
U1 2
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
PY 2010
VL 98
IS 3
SU 1
BP 617A
EP 617A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006084
ER
PT J
AU Liu, J
Krishnan, V
Strzalka, J
Tronin, A
Blasie, JK
AF Liu, Jing
Krishnan, Venkata
Strzalka, Joseph
Tronin, Andrey
Blasie, J. Kent
TI A New Approach to the Structural Investigation of the Voltage-Sensitive
Domain of Voltage-Gated Cation Channels as a Function of the
Transmembrane Voltage
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Liu, Jing; Krishnan, Venkata; Tronin, Andrey; Blasie, J. Kent] Univ Penn, Philadelphia, PA 19104 USA.
[Strzalka, Joseph] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 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
PY 2010
VL 98
IS 3
SU 1
BP 621A
EP 621A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006106
ER
PT J
AU Lal, J
Fouquet, P
Maccarini, M
Makowski, L
AF Lal, Jyotsana
Fouquet, Peter
Maccarini, Marco
Makowski, Lee
TI Neutron Spin Echo Studies of Dynamics in Hemoglobin and Myoglobin
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Lal, Jyotsana; Makowski, Lee] Argonne Natl Lab, Argonne, IL 60439 USA.
[Fouquet, Peter; Maccarini, Marco] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France.
RI Fouquet, Peter/B-5212-2008
OI Fouquet, Peter/0000-0002-5542-0059
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
PY 2010
VL 98
IS 3
SU 1
BP 629A
EP 629A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006147
ER
PT J
AU Adelman, JL
Chodera, JD
Kuo, IFW
Miller, TF
Barsky, D
AF Adelman, Joshua L.
Chodera, John D.
Kuo, I-Feng W.
Miller, Thomas F., III
Barsky, Daniel
TI The Mechanical Properties of PCNA: Implications for the Loading and
Function of Sliding Clamps
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Adelman, Joshua L.] Univ Pittsburgh, Pittsburgh, PA USA.
[Chodera, John D.] Calif Inst Quantitat Biosci QB3, Berkeley, CA USA.
[Kuo, I-Feng W.; Barsky, Daniel] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Miller, Thomas F., III] CALTECH, Pasadena, CA 91125 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
PY 2010
VL 98
IS 3
SU 1
BP 630A
EP 630A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006151
ER
PT J
AU Phillips, JL
Lau, EY
Krishnan, VV
Rexach, M
Newsam, S
Colvin, ME
AF Phillips, Joshua L.
Lau, Edmond Y.
Krishnan, V. V.
Rexach, Michael
Newsam, Shawn
Colvin, Michael E.
TI Metric Scaling for Dimensionality Reduction of Disordered Protein
Dynamics
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Phillips, Joshua L.; Newsam, Shawn; Colvin, Michael E.] Univ Calif Merced, Merced, CA USA.
[Lau, Edmond Y.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Krishnan, V. V.] Univ Calif Davis, Davis, CA 95616 USA.
[Rexach, Michael] Univ Calif Santa Cruz, Santa Cruz, CA 95064 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
PY 2010
VL 98
IS 3
SU 1
BP 631A
EP 631A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006156
ER
PT J
AU Liu, J
Qin, L
Hiser, C
Garavito, RM
Ferguson-Miller, S
AF Liu, Jian
Qin, Ling
Hiser, Carrie
Garavito, R. Michael
Ferguson-Miller, Shelagh
TI Crystal Structures of Proton Uptake Mutants of Cytochrome c Oxidase in
Reduced and Oxidized Forms: Loss of Key Waters Account for Inactivation
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Liu, Jian; Hiser, Carrie; Garavito, R. Michael; Ferguson-Miller, Shelagh] Michigan State Univ, E Lansing, MI 48824 USA.
[Qin, Ling] Sandia Natl Labs, 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
PY 2010
VL 98
IS 3
SU 1
BP 642A
EP 642A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006216
ER
PT J
AU Goodchild, SC
Howell, MW
Sale, KA
Curmi, PMG
Brown, LJ
AF Goodchild, Sophia C.
Howell, Michael W.
Sale, Kenneth A.
Curmi, Paul M. G.
Brown, Louise J.
TI Metamorphic Response of CLIC1 Chloride Intracellular Ion Channel upon
Interaction with the Membrane
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Goodchild, Sophia C.; Howell, Michael W.; Brown, Louise J.] Macquarie Univ, Sydney, NSW 2109, Australia.
[Sale, Kenneth A.] Sandia Natl Labs, Livermore, CA USA.
[Curmi, Paul M. G.] Univ New S Wales, Sydney, NSW, Australia.
RI Curmi, Paul/G-7185-2011
OI Curmi, Paul/0000-0001-5762-7638
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
PY 2010
VL 98
IS 3
SU 1
BP 647A
EP 647A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006243
ER
PT J
AU Park, J
Apostol, MI
Eisenberg, D
AF Park, Jiyong
Apostol, Marcin I.
Eisenberg, David
TI Beta-Barrel Hypothesis: Structural Insights to Oligomeric Prion
Conformation
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 UCLA DOE Inst Genom & Prote, Los Angeles, CA USA.
Howard Hughes Med Inst, Los Angeles, CA USA.
OI Park, Jiyong/0000-0002-3225-4510
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
PY 2010
VL 98
IS 3
SU 1
BP 650A
EP 650A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006258
ER
PT J
AU Huang, HH
Pesavento, JB
Rozovsky, S
Downing, KH
Groves, JT
AF Huang, Hector H.
Pesavento, Joseph B.
Rozovsky, Sharon
Downing, Kenneth H.
Groves, Jay T.
TI A Platform to Study Curvature Effects of Proteins on Membranes
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Huang, Hector H.; Groves, Jay T.] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Pesavento, Joseph B.; Downing, Kenneth H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Rozovsky, Sharon] Univ Delaware, Newark, DE 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
PY 2010
VL 98
IS 3
SU 1
BP 669A
EP 669A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006363
ER
PT J
AU Jung, J
Fenn, TD
Chu, S
Brunger, AT
AF Jung, Jaemyeong
Fenn, Timothy D.
Chu, Steven
Brunger, Axel T.
TI Single Molecule Study of Disassembly of SNARE Complex by NSF/alpha-SNAP
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Jung, Jaemyeong; Fenn, Timothy D.; Brunger, Axel T.] Stanford Univ, Dept Mol & Cellular Physiol, Stanford, CA 94305 USA.
[Jung, Jaemyeong; Fenn, Timothy D.; Brunger, Axel T.] Stanford Univ, Dept Neurol, Stanford, CA 94305 USA.
[Jung, Jaemyeong; Fenn, Timothy D.; Brunger, Axel T.] Stanford Univ, Dept Neurol Struct Biol & Photon Sci, Stanford, CA 94305 USA.
[Jung, Jaemyeong; Brunger, Axel T.] Stanford Univ, Howard Hughes Med Inst, Stanford, CA 94305 USA.
[Chu, Steven] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Chu, Steven] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Chu, Steven] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
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
PY 2010
VL 98
IS 3
SU 1
BP 670A
EP 670A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006368
ER
PT J
AU Cappuccio, JA
Blanchette, CD
Arroyo, ES
Hinz, AK
Bourguet, FA
Sulchek, TA
Segelke, BW
Hoeprich, PD
Chromy, BA
Coleman, MA
AF Cappuccio, Jenny A.
Blanchette, Craig D.
Arroyo, Erin S.
Hinz, Angela K.
Bourguet, Feliza A.
Sulchek, Todd A.
Segelke, Brent W.
Hoeprich, Paul D.
Chromy, Brett A.
Coleman, Matthew A.
TI Yersinia Translocon Complexes are Stabilized in Nanolipoprotein
Particles (NLPs)
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Cappuccio, Jenny A.; Blanchette, Craig D.; Arroyo, Erin S.; Hinz, Angela K.; Bourguet, Feliza A.; Segelke, Brent W.; Hoeprich, Paul D.; Chromy, Brett A.; Coleman, Matthew A.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Sulchek, Todd A.] Georgia Tech, Atlanta, GA 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
PY 2010
VL 98
IS 3
SU 1
BP 683A
EP 683A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006431
ER
PT J
AU Babenko, AP
AF Babenko, Andrey P.
TI How do Mutations in M0 of KCNJ11 Produce Diabetes?
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Babenko, Andrey P.] Univ Washington, Pacific Northwest Res Inst, Mol Physiol & Biophys & Diabet Endocrinol Res Ctr, Seattle, WA 98195 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
PY 2010
VL 98
IS 3
SU 1
BP 699A
EP 700A
PG 2
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762006514
ER
PT J
AU Carpenter, T
Lightstone, F
AF Carpenter, Timothy
Lightstone, Felice
TI Molecular Dynamics Simulations of the GABA Type A Receptor
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Carpenter, Timothy; Lightstone, Felice] LLNL, 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
PY 2010
VL 98
IS 3
SU 1
BP 704A
EP 704A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762007005
ER
PT J
AU Wu, HW
Volponi, JV
Singh, S
AF Wu, Huawen
Volponi, Joanne V.
Singh, Seema
TI Single-Cell Diesel Mining on Microalgae: Direct and Quantitative
Monitoring of Microalgal Oil Production In Vivo by Raman Spectroscopy
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Wu, Huawen; Volponi, Joanne V.; Singh, Seema] Sandia Natl Labs, Livermore, CA USA.
NR 0
TC 2
Z9 2
U1 3
U2 12
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
PY 2010
VL 98
IS 3
SU 1
BP 744A
EP 744A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762007213
ER
PT J
AU Misra, N
Martinez, J
Artyukhin, A
Huang, SC
Stroeve, P
Grigoropoulos, C
Noy, A
AF Misra, Nipun
Martinez, Julio
Artyukhin, Alexander
Huang, Shih-Chieh
Stroeve, Pieter
Grigoropoulos, Costas
Noy, Aleksandr
TI Bionanoelectronic Devices Based on 1d-Lipid Bilayers on Nanotube and
Nanowire Templates
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [Misra, Nipun; Martinez, Julio; Artyukhin, Alexander; Huang, Shih-Chieh; Noy, Aleksandr] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Stroeve, Pieter] Univ Calif Davis, Davis, CA USA.
[Grigoropoulos, Costas] Univ Calif Berkeley, Berkeley, 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
PY 2010
VL 98
IS 3
SU 1
BP 757A
EP 757A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762007280
ER
PT J
AU McEvoy, A
Greenfield, D
Shroff, H
Crooks, GE
Wingreen, NS
Betzig, E
Liphardt, J
AF McEvoy, Ann
Greenfield, Derek
Shroff, Hari
Crooks, Gavin E.
Wingreen, Ned S.
Betzig, Eric
Liphardt, Jan
TI Self-Organization of the Escherichia Coli Chemotaxis Network Imaged with
Super-Resolution Light Microscopy
SO BIOPHYSICAL JOURNAL
LA English
DT Meeting Abstract
C1 [McEvoy, Ann; Greenfield, Derek; Liphardt, Jan] Univ Calif Berkeley, Berkeley, CA USA.
[Shroff, Hari; Betzig, Eric] Janelia Farm HHMI Res Campus, Ashburn, VA USA.
[Crooks, Gavin E.] Lawrence Berkeley Natl Labs, Berkeley, CA USA.
[Wingreen, Ned S.] Princeton Univ, Princeton, NJ 08544 USA.
RI Shroff, Hari/E-7247-2016
OI Shroff, Hari/0000-0003-3613-8215
NR 0
TC 0
Z9 0
U1 2
U2 13
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
PY 2010
VL 98
IS 3
SU 1
BP 760A
EP 760A
PG 1
WC Biophysics
SC Biophysics
GA V29QD
UT WOS:000208762007296
ER
PT J
AU Knox, AS
Petrisor, IG
Turick, CE
Roberts, J
Paller, MH
Reible, DD
Forrest, CR
AF Knox, Anna Sophia
Petrisor, Ioana G.
Turick, Charles E.
Roberts, Jesse
Paller, Michael. H.
Reible, Danny D.
Forrest, Casey R.
BE Elnashar, MM
TI Life Span of Biopolymer Sequestering Agents for Contaminant Removal and
Erosion Resistance
SO BIOPOLYMERS
LA English
DT Article; Book Chapter
ID SEDIMENT EROSION; ALGINATE BEADS; BULK-DENSITY; CHITOSAN; REMEDIATION;
CHROMIUM; BIODEGRADATION; METALS; COPPER; GLASS
C1 [Knox, Anna Sophia; Turick, Charles E.; Paller, Michael. H.] Savannah River Natl Lab, Aiken, SC 29808 USA.
[Petrisor, Ioana G.] Haley&Aldrich Inc, Lenexa, KS 66215 USA.
[Roberts, Jesse] Sandia Natl Labs, Livermore, CA 94550 USA.
[Reible, Danny D.; Forrest, Casey R.] Univ Texas, Austin, TX 78712 USA.
RP Knox, AS (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA.
NR 37
TC 0
Z9 0
U1 0
U2 0
PU INTECH EUROPE
PI RIJEKA
PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA
BN 978-953-307-109-1
PY 2010
BP 81
EP 108
D2 10.5772/286
PG 28
WC Materials Science, Biomaterials; Polymer Science
SC Materials Science; Polymer Science
GA BD7YE
UT WOS:000363690100006
ER
PT J
AU Turick, CE
Knox, AS
Becnel, JM
Ekechukwu, AA
Milliken, CE
AF Turick, Charles E.
Knox, Anna S.
Becnel, James M.
Ekechukwu, Amy A.
Milliken, Charles E.
BE Elnashar, MM
TI Properties and Function of Pyomelanin
SO BIOPOLYMERS
LA English
DT Article; Book Chapter
ID SHEWANELLA-ALGAE BRY; P-HYDROXYPHENYLPYRUVATE DIOXYGENASE;
ELECTRON-TRANSFER; LEGIONELLA-PNEUMOPHILA; 4-HYDROXYPHENYLPYRUVATE
DIOXYGENASE; AUREOBASIDIUM-PULLULANS; BIOFILM COMMUNITIES; HOMOGENTISIC
ACID; MELANIN SYNTHESIS; LLY PROTEIN
C1 [Turick, Charles E.; Knox, Anna S.; Becnel, James M.; Ekechukwu, Amy A.; Milliken, Charles E.] Savannah River Natl Lab, Aiken, SC 29808 USA.
RP Turick, CE (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA.
NR 39
TC 4
Z9 4
U1 0
U2 0
PU INTECH EUROPE
PI RIJEKA
PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA
BN 978-953-307-109-1
PY 2010
BP 449
EP 472
D2 10.5772/286
PG 24
WC Materials Science, Biomaterials; Polymer Science
SC Materials Science; Polymer Science
GA BD7YE
UT WOS:000363690100024
ER
PT J
AU Chevanan, N
Womac, AR
Bitra, VSP
Igathinathane, C
Yang, YT
Miu, PI
Sokhansanj, S
AF Chevanan, Nehru
Womac, Alvin R.
Bitra, Venkata S. P.
Igathinathane, C.
Yang, Yuechuan T.
Miu, Petre I.
Sokhansanj, Shahab
TI Bulk density and compaction behavior of knife mill chopped switchgrass,
wheat straw, and corn stover
SO BIORESOURCE TECHNOLOGY
LA English
DT Article
DE Chopped biomass; Knife mill; Bulk density; Tapped bulk density;
Compaction models
ID PHYSICAL-PROPERTIES; EQUATIONS; POWDERS
AB Bulk density of comminuted biomass significantly increased by vibration during handling and transportation, and by normal pressure during storage. Compaction characteristics affecting the bulk density of switchgrass, wheat straw, and corn stover chopped in a knife mill at different operating conditions and using four different classifying screens were studied. Mean loose-filled bulk densities were 67.5 +/- 18.4 kg/m(3) for switchgrass, 36.1 +/- 8.6 kg/m(3) for wheat straw, and 52.1 +/- 10.8 kg/m(3) for corn stover. Mean tapped bulk densities were 81.8 +/- 26.2 kg/m(3) for switchgrass, 42.8 +/- 11.7 kg/m(3) for wheat straw, and 58.9 +/- 13.4 kg/m(3) for corn stover. Percentage changes in compressibility due to variation in particle size obtained from a knife mill ranged from 64.3 to 173.6 for chopped switchgrass, 22.2-51.5 for chopped wheat straw and 42.1-117.7 for chopped corn stover within the tested consolidation pressure range of 5-120 kPa. Pressure and volume relationship of chopped biomass during compression with application of normal pressure can be characterized by the Walker model and Kawakita and Ludde model. Parameter of Walker model was correlated to the compressibility with Pearson correlation coefficient greater than 0.9. Relationship between volume reduction in chopped biomass with respect to number of tappings studied using Sone's model indicated that infinite compressibility was highest for chopped switchgrass followed by chopped wheat straw and corn stover. Degree of difficulty in packing measured using the parameters of Sone's model indicated that the chopped wheat straw particles compacted very rapidly by tapping compared to chopped switchgrass and corn stover. These results are very useful for solving obstacles in handling bulk biomass supply logistics issues for a biorefinery. (C) 2009 Elsevier Ltd. All rights reserved.
C1 [Chevanan, Nehru; Womac, Alvin R.; Bitra, Venkata S. P.; Yang, Yuechuan T.; Miu, Petre I.] Univ Tennessee, Knoxville, TN 37996 USA.
[Igathinathane, C.] Mississippi State Univ, Mississippi State, MS 39762 USA.
[Sokhansanj, Shahab] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
RP Womac, AR (reprint author), Univ Tennessee, Knoxville, TN 37996 USA.
EM awomac@utk.edu
OI Cannayen, Igathinathane/0000-0001-8884-7959
FU USDA-NRCS [68-3A75-4-136]; USDA-DOE Biomass Research and Development
Initiative [DE-PA36-04GO94002]
FX We thankfully acknowledge the funding support provided through the
USDA-NRCS Grant Agreement 68-3A75-4-136 and USDA-DOE Biomass Research
and Development Initiative DE-PA36-04GO94002 for carrying out this
project work.
NR 28
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U1 1
U2 23
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 JAN
PY 2010
VL 101
IS 1
BP 207
EP 214
DI 10.1016/j.biortech.2009.07.083
PG 8
WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy &
Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA 511LC
UT WOS:000271165500031
PM 19699634
ER
PT J
AU Weiss, ND
Farmer, JD
Schell, DJ
AF Weiss, Noah D.
Farmer, Joseph D.
Schell, Daniel J.
TI Impact of corn stover composition on hemicellulose conversion during
dilute acid pretreatment and enzymatic cellulose digestibility of the
pretreated solids
SO BIORESOURCE TECHNOLOGY
LA English
DT Article
DE Lignocellulosic biomass; Corn stover; Pretreatment; Feedstock
variability; Reactivity
ID BIOMASS; HYDROLYSIS; FRACTIONS
AB This study assessed the impact of corn stover compositional variability on xylose conversion yields during dilute acid pretreatment and on enzymatic cellulose digestibility of the resulting pretreated solids. Seven compositionally-different stovers obtained from various locations throughout the United States were pretreated at three different conditions in triplicate in a pilot-scale continuous reactor. At the same pretreatment severity, a 2-fold increase in monomeric xylose yield and a 1.5-fold increase in enzymatic cellulose digestibility from their lowest values were found. Similar results were observed at the other pretreatment conditions. It was found that xylose conversion yields decreased with increasing acid neutralization capacity or soil content of the corn stover. Xylose yields also increased with increasing xylan content. No other significant correlations between corn stover's component concentrations and conversion yields were found. (C) 2009 Elsevier Ltd. All rights reserved.
C1 [Weiss, Noah D.; Farmer, Joseph D.; Schell, Daniel J.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
RP Schell, DJ (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 1617 Cole Blvd, Golden, CO 80401 USA.
EM dan.schell@nrel.gov
FU National Renewable Energy Laboratory; United States Department of
Energy's Office
FX The authors would like to thank the following people for their help on
this research: Robert Lyons, Wesley Hjelm, and William Bray for their
help in operating the pretreatment reactor: and Mildred Zuccarello,
Deborah Hyman, David Templeton, and the rest of the Biomass Analysis
Team at the National Renewable Energy Laboratory for their help in
sample analysis and enzymatic assays. This research was funded by the
United States Department of Energy's Office of the Biomass Program.
NR 16
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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 JAN
PY 2010
VL 101
IS 2
BP 674
EP 678
DI 10.1016/j.biortech.2009.08.082
PG 5
WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy &
Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA 511LE
UT WOS:000271165700032
PM 19766484
ER
PT J
AU Shaikh, AS
Tang, YJ
Mukhopadhyay, A
Martin, HG
Gin, J
Benke, PI
Keasling, JD
AF Shaikh, Afshan S.
Tang, Yinjie J.
Mukhopadhyay, Aindrila
Martin, Hector Garcia
Gin, Jennifer
Benke, Peter I.
Keasling, Jay D.
TI Study of Stationary Phase Metabolism Via Isotopomer Analysis of Amino
Acids from an Isolated Protein
SO BIOTECHNOLOGY PROGRESS
LA English
DT Article
DE secondary metabolites; metabolic flux; (13)C; green fluorescent protein;
proteinogenic amino acids
ID ESCHERICHIA-COLI; INTRACELLULAR METABOLITES; FLUX ANALYSIS;
MASS-SPECTROMETRY; IMPACT; QUANTIFICATION; YEAST
AB Microbial production of many commercially important secondary metabolites occurs during stationary phase, and methods to measure metabolic flux during this growth phase would be valuable. Metabolic flux analysis is often based on isotopomer information front proteinogenic amino acids. As such, flux analysis primarily reflects the metabolism pertinent to the growth phase during which most proteins are synthesized. To investigate central metabolism and amino acids synthesis activity during stationary phase, addition of fully (13)C-labeled glucose followed by induction of green fluorescent protein (GFP) expression during stationary phase was used. Our results indicate that Escherichia coli was able to produce new proteins (i.e., GFP) in the stationary phase, and the amino acids in GFP were mostly from degraded proteins synthesized during the exponential growth phase. Among amino acid biosynthetic pathways, only those for serine, alanine, glutamate/glutamine, and aspartate/asparagine had significant activity during the stationary phase. (C) 2009 American Institute of Chemical Engineers Biotechnol. Prog., 26: 52-56 2010
C1 [Shaikh, Afshan S.; Keasling, Jay D.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA.
[Mukhopadhyay, Aindrila; Martin, Hector Garcia; Gin, Jennifer; Benke, Peter I.; Keasling, Jay D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Mukhopadhyay, Aindrila; Martin, Hector Garcia; Gin, Jennifer; Benke, Peter I.; Keasling, Jay D.] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Tang, Yinjie J.] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
RP Keasling, JD (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA.
EM keasling@berkeley.edu
RI Garcia Martin, Hector/B-5357-2009; Keasling, Jay/J-9162-2012
OI Garcia Martin, Hector/0000-0002-4556-9685; Keasling,
Jay/0000-0003-4170-6088
FU US Department of Energy; I-CARES at Washington University; Missouri Life
Sciences Research Board
FX This work was funded by the Joint BioEnergy Institute, JBEI, through a
grant from the US Department of Energy. AM received support from the
Simon Family Fund and YJT received support from the I-CARES at
Washington University and the Missouri Life Sciences Research Board.
NR 24
TC 11
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U1 2
U2 8
PU JOHN WILEY & SONS LTD
PI CHICHESTER
PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND
SN 8756-7938
J9 BIOTECHNOL PROGR
JI Biotechnol. Prog.
PD JAN-FEB
PY 2010
VL 26
IS 1
BP 52
EP 56
DI 10.1002/btpr.325
PG 5
WC Biotechnology & Applied Microbiology; Food Science & Technology
SC Biotechnology & Applied Microbiology; Food Science & Technology
GA 561JU
UT WOS:000274973400007
PM 19899123
ER
PT J
AU Dutta, A
Dowe, N
Ibsen, KN
Schell, DJ
Aden, A
AF Dutta, Abhijit
Dowe, Nancy
Ibsen, Kelly N.
Schell, Daniel J.
Aden, Andy
TI An Economic Comparison of Different Fermentation Configurations to
Convert Corn Stover to Ethanol Using Z. mobilis and Saccharomyces
SO BIOTECHNOLOGY PROGRESS
LA English
DT Article
DE ethanol; fermentation; xylose; SSF; cost
ID FUEL ETHANOL; PERFORMANCE; PRETREATMENT; TECHNOLOGY; BIOMASS
AB Numerous routes are being explored to lower the cost of cellulosic ethanol production and enable large-scale production. One critical area is the development of robust cofermentative organisms to convert the multiple, mixed sugars found in biomass feedstocks to ethanol at high yields and titers without the need for processing to remove inhibitors. Until such microorganisms are commercialized, the challenge is to design processes that exploit the current microorganisms' strengths. This study explored various process configurations tailored to take advantage of the specific capabilities of three microorganisms, Z. mobilis 8b, S. cerevisiae, and S. pastorianus. A technoeconomic study, based on bench-scale experimental data generated by integrated process testing, was completed to understand the resulting costs of the different process configurations. The configurations included whole slurry fermentation with a coculture, and separate cellulose simultaneous saccharification and fermentation (SSF) and xylose fermentations with none, some or all of the water to the SSF replaced with the fermented liquor from the xylose fermentation. The difference between the highest and lowest ethanol cost for the different experimental process configurations studied was $0.27 per gallon ethanol. Separate fermentation of solid and liquor streams with recycle of fermented liquor to dilute the solids gave the lowest ethanol cost, primarily because this option achieved the highest concentrations of ethanol after fermentation. Further studies, using methods similar to ones employed here, can help understand and improve the performance and hence the economics of integrated processes involving enzymes and fermentative microorganisms. (C) 2009 American Institute of Chemical Engineers Biotechnol. Prog., 26: 64-72, 2010
C1 [Dutta, Abhijit; Dowe, Nancy; Ibsen, Kelly N.; Schell, Daniel J.; Aden, Andy] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Dutta, A (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM abhijit.dutta@nrel.gov
FU US Department of Energy
FX This work was supported by the US Department of Energy's Office of the
Biomass Program. The authors thank Ali Mohagheghi, Kent Evans, Ed
Jennings, Gary McMillen, and Mildred Zuccarello who performed the
experimental work, Ray Ruiz for performing sample compositional
analysis, and Sara Havig for editing this manuscript.
NR 26
TC 55
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U1 8
U2 43
PU JOHN WILEY & SONS LTD
PI CHICHESTER
PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND
SN 8756-7938
J9 BIOTECHNOL PROGR
JI Biotechnol. Prog.
PD JAN-FEB
PY 2010
VL 26
IS 1
BP 64
EP 72
DI 10.1002/btpr.311
PG 9
WC Biotechnology & Applied Microbiology; Food Science & Technology
SC Biotechnology & Applied Microbiology; Food Science & Technology
GA 561JU
UT WOS:000274973400009
PM 19785041
ER
PT J
AU Zhao, H
Baker, GA
Cowins, JV
AF Zhao, Hua
Baker, Gary A.
Cowins, Janet V.
TI Fast Enzymatic Saccharification of Switchgrass After Pretreatment with
Ionic Liquids
SO BIOTECHNOLOGY PROGRESS
LA English
DT Article
DE cellulose; hemicellulose; xylan; pretreatment; ionic liquid;
saccharification; enzymatic hydrolysis
ID CELLULOSE HYDROLYSIS; XYLOSE FERMENTATION; LIGNOCELLULOSIC MATERIALS;
INDUSTRIAL APPLICATIONS; MICROBIAL XYLANASES; ETHANOL-PRODUCTION; WOOD;
HEMICELLULOSE; DISSOLUTION; GLUCOSE
AB The pretreatment of cellulose using. ionic liquids (ILs) has been shown to be an effective method for improving the enzymatic hydrolysis of cellulose; this technique affords a fast and complete saccharification of cellulose into reducing sugars (Dadi et al., Biotechnol Bioeng. 2006; 95:904-910; Lilt and Chen, Chinese Sci Bull. 2006; 51:2432-2436; Zhao et al., J Biotechnol. 2009; 139:47-54). Motivated by these advances, this study examines the effect of IL-pretreatment on the enzymatic hydrolysis of purified xylan (as a model system of hemicellulose) and switchgrass (as a real lignocellulose). The IL-pretreatment resulted in no improvement in the hydrolysis of xylan. The likely reason is that pure xylan has a low degree of polymerization (DP), and is readily biodegraded even without any pretreatment. However, in real cellulosic materials (such as switchgrass), xylan is entrapped within the cellulosic matrix, and cannot be conveniently accessed by enzymes. Our data demonstrate that the IL-pretreatment of switchgrass significantly improved the enzymatic saccharification of both cellulose (96% D-glucose yield in 24 h) and xylan (63% D-xylose yield in 24 h). The compositional analysis of switchgrass suggests a lower lignin content after IL-pretreatment. In addition, the infrared spectrum of regenerated switchgrass indicates a lower substrate crystallinity, whereas the enzyme adsorption isotherm further implies that the regenerated substrate is more accessible to enzymes. This study has further confirmed that IL-pretreatment is an effective tool in enhancing the enzymatic hydrolysis of cellulosic biomass, and allowing a more complete saccharification. (C) 2009 American Institute of Chemical Engineers Biotechnol. Prog., 26: 127-133, 2010
C1 [Zhao, Hua; Cowins, Janet V.] Savannah State Univ, Chem Program, Savannah, GA 31404 USA.
[Baker, Gary A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Zhao, H (reprint author), Savannah State Univ, Chem Program, Savannah, GA 31404 USA.
EM huazhao98@gmail.com
RI Baker, Gary/H-9444-2016;
OI Baker, Gary/0000-0002-3052-7730; Zhao, Hua/0000-0002-5761-2089
NR 68
TC 43
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U1 2
U2 33
PU JOHN WILEY & SONS LTD
PI CHICHESTER
PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND
SN 8756-7938
J9 BIOTECHNOL PROGR
JI Biotechnol. Prog.
PD JAN-FEB
PY 2010
VL 26
IS 1
BP 127
EP 133
DI 10.1002/btpr.331
PG 7
WC Biotechnology & Applied Microbiology; Food Science & Technology
SC Biotechnology & Applied Microbiology; Food Science & Technology
GA 561JU
UT WOS:000274973400017
PM 19918908
ER
PT J
AU Martin, J
Zhu, WH
Passalacqua, KD
Bergman, N
Borodovsky, M
AF Martin, Jeffrey
Zhu, Wenhan
Passalacqua, Karla D.
Bergman, Nicholas
Borodovsky, Mark
TI Bacillus anthracis genome organization in light of whole transcriptome
sequencing
SO BMC BIOINFORMATICS
LA English
DT Article; Proceedings Paper
CT IEEE International Conference on Bioinformatics and Biomedicine (BIBMW
2009)
CY NOV 01-04, 2009
CL Washington, DC
SP IEEE, IEEE Comp Soc, Natl Sci Fdn
ID CODON ADAPTATION INDEX; USAGE BIAS; MICROBIAL GENOMES; GENE; PREDICTION;
DATABASE; MODELS; DNA
AB Emerging knowledge of whole prokaryotic transcriptomes could validate a number of theoretical concepts introduced in the early days of genomics. What are the rules connecting gene expression levels with sequence determinants such as quantitative scores of promoters and terminators? Are translation efficiency measures, e. g. codon adaptation index and RBS score related to gene expression? We used the whole transcriptome shotgun sequencing of a bacterial pathogen Bacillus anthracis to assess correlation of gene expression level with promoter, terminator and RBS scores, codon adaptation index, as well as with a new measure of gene translational efficiency, average translation speed. We compared computational predictions of operon topologies with the transcript borders inferred from RNA-Seq reads. Transcriptome mapping may also improve existing gene annotation. Upon assessment of accuracy of current annotation of protein-coding genes in the B. anthracis genome we have shown that the transcriptome data indicate existence of more than a hundred genes missing in the annotation though predicted by an ab initio gene finder. Interestingly, we observed that many pseudogenes possess not only a sequence with detectable coding potential but also promoters that maintain transcriptional activity.
C1 [Borodovsky, Mark] Georgia Tech, Wallace H Coulter Dept Biomed Engn, Atlanta, GA 30332 USA.
[Borodovsky, Mark] Georgia Tech, Sch Computat Sci & Engn, Atlanta, GA 30332 USA.
[Martin, Jeffrey] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA.
[Zhu, Wenhan; Passalacqua, Karla D.; Bergman, Nicholas] Georgia Tech, Sch Biol, Atlanta, GA 30332 USA.
[Bergman, Nicholas] Natl Biodef Anal & Countermeasures Ctr, Frederick, MD 21702 USA.
[Borodovsky, Mark] Georgia Tech, Ctr Bioinformat & Computat Genom, Atlanta, GA 30332 USA.
RP Borodovsky, M (reprint author), Georgia Tech, Wallace H Coulter Dept Biomed Engn, Atlanta, GA 30332 USA.
EM borodovsky@gatech.edu
FU NHGRI NIH HHS [HG00783]
NR 24
TC 27
Z9 27
U1 4
U2 8
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1471-2105
J9 BMC BIOINFORMATICS
JI BMC Bioinformatics
PY 2010
VL 11
SU 3
AR S10
DI 10.1186/1471-2105-11-S3-S10
PG 13
WC Biochemical Research Methods; Biotechnology & Applied Microbiology;
Mathematical & Computational Biology
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Mathematical & Computational Biology
GA 590AT
UT WOS:000277196400010
PM 20438648
ER
PT J
AU Ionova-Martin, SS
Do, SH
Barth, HD
Szadkowska, M
Porter, AE
Ager, JW
Ager, JW
Alliston, T
Vaisse, C
Ritchie, RO
AF Ionova-Martin, S. S.
Do, S. H.
Barth, H. D.
Szadkowska, M.
Porter, A. E.
Ager, J. W., III
Ager, J. W., Jr.
Alliston, T.
Vaisse, C.
Ritchie, R. O.
TI Reduced size-independent mechanical properties of cortical bone in
high-fat diet-induced obesity
SO BONE
LA English
DT Article
DE Obesity; Cortical bone; Fracture risk; Fracture toughness; Strength
ID HIP FRACTURE RISK; BIOMECHANICAL PROPERTIES; MINERAL DENSITY; KNOCKOUT
MICE; DISTAL RADIUS; SUCROSE DIET; FEMORAL-NECK; LEAN TISSUE; MASS;
LEPTIN
AB Overweight and obesity are rapidly expanding health problems in children and adolescents. Obesity is associated with greater bone mineral content that might be expected to protect against fracture, which has been observed in adults. Paradoxically, however, the incidence of bone fractures has been found to increase in overweight and obese children and adolescents. Prior studies have shown some reduced mechanical properties as a result of high-fat diet (HFD) but do not fully address size-independent measures of mechanical properties, which are important to understand material behavior. To clarify the effects of HFD on the mechanical properties and microstructure of bone, femora from C57BL/6 mice fed either a HFD or standard laboratory chow (Chow) were evaluated for structural changes and tested for bending strength, bending stiffness and fracture toughness. Here, we find that in young, obese, high-fat fed mice, all geometric parameters of the femoral bone, except length, are increased, but strength, bending stiffness, and fracture toughness are all reduced. This increased bone size and reduced size-independent mechanical properties suggests that obesity leads to a general reduction in bone quality despite an increase in bone quantity; yield and maximum loads, however, remained unchanged, suggesting compensatory mechanisms. We conclude that diet-induced obesity increases bone size and reduces size-independent mechanical properties of cortical bone in mice. This study indicates that bone quantity and bone quality play important compensatory roles in determining fracture risk. (C) 2009 Elsevier Inc. All rights reserved.
C1 [Ionova-Martin, S. S.; Barth, H. D.; Ritchie, R. O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Ionova-Martin, S. S.; Barth, H. D.; Ager, J. W., III; Ritchie, R. O.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Do, S. H.; Vaisse, C.] Univ Calif San Francisco, Ctr Diabet, San Francisco, CA 94143 USA.
[Szadkowska, M.; Porter, A. E.] Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2AZ, England.
[Ager, J. W., Jr.] Wayne State Univ, Dept Family Med & Publ Hlth Sci, Detroit, MI USA.
[Alliston, T.] Univ Calif San Francisco, Dept Orthopaed Surg, San Francisco, CA 94143 USA.
RP Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
EM roritchie@lbl.gov
RI Vaisse, Christian/F-1067-2011; Ritchie, Robert/A-8066-2008;
OI Ritchie, Robert/0000-0002-0501-6998; Ager, Joel/0000-0001-9334-9751;
Alliston, Tamara/0000-0001-9992-2897
FU U.S. Department of Energy [DE-AC02-05CH11231]; National Institutes of
Health [RO3DE016868, RO160540, 68152]; American Heart Association [CDA
740041N]; British Council
FX This study was supported by the Laboratory Directed Research and
Development Program of Lawrence Berkeley National Laboratory (LBNL),
funded by the U.S. Department of Energy under contract no.
DE-AC02-05CH11231. Animal study work was supported by the National
Institutes of Health under grant nos. RO3DE016868 and RO160540, 68152,
as well as American Heart Association CDA 740041N. Transmission electron
microscopy work was supported by the British Council. We acknowledge the
use of the x-ray synchrotron micro-tomography beamline (8.3.2) at the
Advanced Light Source at LBNL, supported by the Office of Science of the
Department of Energy, and the laboratory of Dr. Raffaella Carzaniga in
the Electron Microscopy Centre at Imperial College London (South
Kensington campus) where TEM sample preparations were performed.
NR 51
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U1 1
U2 13
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 8756-3282
EI 1873-2763
J9 BONE
JI Bone
PD JAN
PY 2010
VL 46
IS 1
BP 217
EP 225
DI 10.1016/j.bone.2009.10.015
PG 9
WC Endocrinology & Metabolism
SC Endocrinology & Metabolism
GA 550LN
UT WOS:000274129400027
PM 19853069
ER
PT J
AU Mirocha, JD
Kosovic, B
AF Mirocha, Jeffrey D.
Kosovic, Branko
TI A Large-Eddy Simulation Study of the Influence of Subsidence on the
Stably Stratified Atmospheric Boundary Layer
SO BOUNDARY-LAYER METEOROLOGY
LA English
DT Article
DE Arctic Ocean; Large-eddy simulation; Stable boundary layer; Subsidence
ID ARCTIC-OCEAN; MODELS; TURBULENCE; RADIATION; CLOUD
AB The influence of the large-scale subsidence rate, S, on the stably stratified atmospheric boundary layer (ABL) over the Arctic Ocean snow/ice pack during clear-sky, winter conditions is investigated using a large-eddy simulation model. Simulations of two 24-h periods are conducted while varying S between 0, 0.001 and 0.002 ms(-1), and the resulting quasi-equilibrium ABL structures and evolutions are examined. Simulations conducted with S = 0 yield a boundary layer that is deeper, more strongly mixed and cools more rapidly than the observations. Simulations conducted with S > 0 yield improved agreement with the observations in the ABL height, potential temperature gradients and bulk heating rates. We also demonstrate that S > 0 limits the continuous growth of the ABL observed during quasi-steady conditions, leading to the formation of a nearly steady ABL of approximately uniform depth and temperature. Subsidence reduces the magnitudes of the stresses, as well as the implied eddy-diffusivity coefficients for momentum and heat, while increasing the vertical heat fluxes considerably. Subsidence is also observed to increases the Richardson number to values in excess of unity well below the ABL top.
C1 [Mirocha, Jeffrey D.; Kosovic, Branko] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Mirocha, JD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM jmirocha@llnl.gov; branko@ucar.edu
FU National Science Foundation; U.S. Department of Energy by Lawrence
Livermore National Laboratory [W-7405-Eng-48, DE-AC52-07NA27344];
National Science Foundation Arctic Systems Science Program
FX Many thanks to Judith Curry, who provided crucial support for this work,
and to Julie Lundquist and Hugh Morrison, each of whom contributed many
valuable discussions. We also thank our colleagues in the SHEBA
Atmospheric Surface Flux Group, Ed Andreas, Chris Fairall, Peter Guest,
and Ola Persson for help in collecting and processing the data. The
National Science Foundation supported this research with grants to the
U. S. Army Cold Regions Research and Engineering Laboratory, NOAA's
Environmental Technology Laboratory, and the Naval Postgraduate School.
Finally, we thank the anonymous reviewers for their helpful comments.
Part of this work was performed under the auspices of the U. S.
Department of Energy by Lawrence Livermore National Laboratory, in part
under Contract W-7405-Eng-48 and in part under Contract
DE-AC52-07NA27344. The research was also funded by a grant from the
National Science Foundation Arctic Systems Science Program.
NR 26
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U1 1
U2 11
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0006-8314
J9 BOUND-LAY METEOROL
JI Bound.-Layer Meteor.
PD JAN
PY 2010
VL 134
IS 1
BP 1
EP 21
DI 10.1007/s10546-009-9449-4
PG 21
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 527HY
UT WOS:000272359200001
ER
PT J
AU Kurzeja, R
AF Kurzeja, Robert
TI Accurate Temperature Measurements in a Naturally-Aspirated Radiation
Shield
SO BOUNDARY-LAYER METEOROLOGY
LA English
DT Article
DE Air temperature measurement; Measurement correction; Radiation shield;
Thermocouple
ID AIR-TEMPERATURE; ERRORS
AB Experiments and calculations were conducted with a 0.13 mm fine wire thermocouple within a naturally-aspirated Gill radiation shield to assess and improve the accuracy of air temperature measurements without the use of mechanical aspiration, wind speed or radiation measurements. It was found that this thermocouple measured the air temperature with root-mean-square errors of 0.35 K within the Gill shield without correction. A linear temperature correction was evaluated based on the difference between the interior plate and thermocouple temperatures. This correction was found to be relatively insensitive to shield design and yielded an error of 0.16 K for combined day and night observations. The correction was reliable in the daytime when the wind speed usually exceeds 1 m s(-1) but occasionally performed poorly at night during very light winds. Inspection of the standard deviation in the thermocouple wire temperature identified these periods but did not unambiguously locate the most serious events. However, estimates of sensor accuracy during these periods is complicated by the much larger sampling volume of the mechanically-aspirated sensor compared with the naturally-aspirated sensor and the presence of significant near-surface temperature gradients. The root-mean-square errors therefore are upper limits to the aspiration error since they include intrinsic sensor differences and intermittent volume sampling differences.
C1 Savannah River Natl Lab, Aiken, SC 29808 USA.
RP Kurzeja, R (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA.
EM robert.kurzeja@srnl.doe.gov
FU US Department of Energy [DE-AC09-08SR22470]
FX The author thanks the reviewers for valuable comments that improved the
presentation. Prepared for the US Department of Energy under Contract
No. DE-AC09-08SR22470.
NR 8
TC 8
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U1 1
U2 8
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0006-8314
J9 BOUND-LAY METEOROL
JI Bound.-Layer Meteor.
PD JAN
PY 2010
VL 134
IS 1
BP 181
EP 193
DI 10.1007/s10546-009-9430-2
PG 13
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 527HY
UT WOS:000272359200009
ER
PT J
AU Creighton, CJ
Fu, XY
Hennessy, BT
Casa, AJ
Zhang, YQ
Gonzalez-Angulo, AM
Lluch, A
Gray, JW
Brown, PH
Hilsenbeck, SG
Osborne, CK
Mills, GB
Lee, AV
Schiff, R
AF Creighton, Chad J.
Fu, Xiaoyong
Hennessy, Bryan T.
Casa, Angelo J.
Zhang, Yiqun
Gonzalez-Angulo, Ana Maria
Lluch, Ana
Gray, Joe W.
Brown, Powell H.
Hilsenbeck, Susan G.
Osborne, C. Kent
Mills, Gordon B.
Lee, Adrian V.
Schiff, Rachel
TI Proteomic and transcriptomic profiling reveals a link between the PI3K
pathway and lower estrogen-receptor (ER) levels and activity in ER plus
breast cancer
SO BREAST CANCER RESEARCH
LA English
DT Article
ID ADJUVANT ENDOCRINE THERAPY; GENE-EXPRESSION SIGNATURE;
PROGESTERONE-RECEPTOR; CLINICAL-IMPLICATIONS; AKT ACTIVATION; CELLS;
TAMOXIFEN; PTEN; RESISTANCE; GROWTH
AB Introduction: Accumulating evidence suggests that both levels and activity of the estrogen receptor (ER) and the progesterone receptor (PR) are dramatically influenced by growth-factor receptor (GFR) signaling pathways, and that this crosstalk is a major determinant of both breast cancer progression and response to therapy. The phosphatidylinositol 3-kinase (PI3K) pathway, a key mediator of GFR signaling, is one of the most altered pathways in breast cancer. We thus examined whether deregulated PI3K signaling in luminal ER+ breast tumors is associated with ER level and activity and intrinsic molecular subtype.
Methods: We defined two independent molecular signatures of the PI3K pathway: a proteomic (reverse-phase proteomic array) PI3K signature, based on protein measurement for PI3K signaling intermediates, and a PI3K transcriptional (mRNA) signature based on the set of genes either induced or repressed by PI3K inhibitors. By using these signatures, we scored each ER+ breast tumor represented in multiple independent expression-profiling datasets (four mRNA, n = 915; one protein, n = 429) for activation of the PI3K pathway. Effects of PI3K inhibitor BEZ-235 on ER expression and activity levels and cell growth were tested by quantitative real-time PCR and cell proliferation assays.
Results: Within ER+ tumors, ER levels were negatively correlated with the PI3K activation scores, both at the proteomic and transcriptional levels, in all datasets examined. PI3K signature scores were also higher in ER+ tumors and cell lines of the more aggressive luminal B molecular subtype versus those of the less aggressive luminal A subtype. Notably, BEZ-235 treatment in four different ER+ cell lines increased expression of ER and ER target genes including PR, and treatment with IGF-I (which signals via PI3K) decreased expression of ER and target genes, thus further establishing an inverse functional relation between ER and PI3K. BEZ-235 had an additional effect on tamoxifen in inhibiting the growth of a number of ER+ cell lines.
Conclusions: Our data suggest that luminal B tumors have hyperactive GFR/PI3K signaling associated with lower ER levels, which has been correlated with resistance to endocrine therapy. Targeting PI3K in these tumors might reverse loss of ER expression and signaling and restore hormonal sensitivity.
C1 [Creighton, Chad J.; Fu, Xiaoyong; Zhang, Yiqun; Hilsenbeck, Susan G.; Osborne, C. Kent; Lee, Adrian V.; Schiff, Rachel] Baylor Coll Med, Dan L Duncan Canc Ctr, Houston, TX 77030 USA.
[Fu, Xiaoyong; Casa, Angelo J.; Hilsenbeck, Susan G.; Osborne, C. Kent; Lee, Adrian V.; Schiff, Rachel] Baylor Coll Med, Lester & Sue Smith Breast Ctr, Houston, TX 77030 USA.
[Hennessy, Bryan T.; Gonzalez-Angulo, Ana Maria; Mills, Gordon B.] MD Anderson, Dept Syst Biol, Houston, TX 77030 USA.
[Creighton, Chad J.; Fu, Xiaoyong; Hilsenbeck, Susan G.; Osborne, C. Kent; Lee, Adrian V.; Schiff, Rachel] Baylor Coll Med, Dept Med, Houston, TX 77030 USA.
[Osborne, C. Kent; Lee, Adrian V.; Schiff, Rachel] Baylor Coll Med, Dept Mol & Cellular Biol, Houston, TX 77030 USA.
[Gonzalez-Angulo, Ana Maria] MD Anderson, Dept Breast Med Oncol, Houston, TX 77030 USA.
[Lluch, Ana] Hosp Clin Univ Valencia, Dept Hematol Oncol, Valencia 46010, Spain.
[Gray, Joe W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Gray, Joe W.] Univ Calif San Francisco, Dept Lab Med, UCSF Helen Diller Family Comprehens Canc Ctr, San Francisco, CA 94143 USA.
[Brown, Powell H.] MD Anderson, Dept Clin Canc Prevent, Div OVP, Canc Prevent & Populat Sci, Houston, TX 77030 USA.
RP Schiff, R (reprint author), Baylor Coll Med, Dan L Duncan Canc Ctr, 1 Baylor Plaza,BCM 600, Houston, TX 77030 USA.
EM rschiff@bcm.edu
FU National Institutes of Health [P30CA125123, P01CA58183, P50CA058183];
National Cancer Institute (NCI) [1R21CA120248-01, 1K23CA121994-01];
Breast Cancer Research Foundation (BCRF); Entertainment Industry
Foundation (EIF)/Lee Jeans; Kleberg Center for Molecular Markers at M.D.
Anderson Cancer Center; ASCO; Susan G. Komen Foundation [FAS0703849]
FX This work was supported in part by National Institutes of Health grants
P30CA125123, P01CA58183, and P50CA058183, by National Cancer Institute
(NCI) grants 1R21CA120248-01 (to AMG) and 1K23CA121994-01, and by the
Breast Cancer Research Foundation (BCRF), the Entertainment Industry
Foundation (EIF)/Lee Jeans Translational Breast Cancer Research Program,
Kleberg Center for Molecular Markers at M.D. Anderson Cancer Center,
ASCO Career Development Award, and The Susan G. Komen Foundation
FAS0703849 (to AMG, BTH, GBM).
NR 58
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U2 8
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1465-542X
J9 BREAST CANCER RES
JI Breast Cancer Res.
PY 2010
VL 12
IS 3
AR R40
DI 10.1186/bcr2594
PG 12
WC Oncology
SC Oncology
GA 699US
UT WOS:000285689000016
PM 20569503
ER
PT J
AU Hu, Z
Huang, G
Sadanandam, A
Gu, SD
Lenburg, ME
Pai, M
Bayani, N
Blakely, EA
Gray, JW
Mao, JH
AF Hu, Zhi
Huang, Ge
Sadanandam, Anguraj
Gu, Shenda
Lenburg, Marc E.
Pai, Melody
Bayani, Nora
Blakely, Eleanor A.
Gray, Joe W.
Mao, Jian-Hua
TI The expression level of HJURP has an independent prognostic impact and
predicts the sensitivity to radiotherapy in breast cancer
SO BREAST CANCER RESEARCH
LA English
DT Article
ID CENP-A; MITOTIC CHECKPOINT; CENTROMERES; SIGNATURE; PATTERNS; SUBTYPES;
GRADE
AB Introduction: HJURP (Holliday Junction Recognition Protein) is a newly discovered gene reported to function at centromeres and to interact with CENPA. However its role in tumor development remains largely unknown. The goal of this study was to investigate the clinical significance of HJURP in breast cancer and its correlation with radiotherapeutic outcome.
Methods: We measured HJURP expression level in human breast cancer cell lines and primary breast cancers by Western blot and/or by Affymetrix Microarray; and determined its associations with clinical variables using standard statistical methods. Validation was performed with the use of published microarray data. We assessed cell growth and apoptosis of breast cancer cells after radiation using high-content image analysis.
Results: HJURP was expressed at higher level in breast cancer than in normal breast tissue. HJURP mRNA levels were significantly associated with estrogen receptor (ER), progesterone receptor (PR), Scarff-Bloom-Richardson (SBR) grade, age and Ki67 proliferation indices, but not with pathologic stage, ERBB2, tumor size, or lymph node status. Higher HJURP mRNA levels significantly decreased disease-free and overall survival. HJURP mRNA levels predicted the prognosis better than Ki67 proliferation indices. In a multivariate Cox proportional-hazard regression, including clinical variables as covariates, HJURP mRNA levels remained an independent prognostic factor for disease-free and overall survival. In addition HJURP mRNA levels were an independent prognostic factor over molecular subtypes (normal like, luminal, Erbb2 and basal). Poor clinical outcomes among patients with high HJURP expression were validated in five additional breast cancer cohorts. Furthermore, the patients with high HJURP levels were much more sensitive to radiotherapy. In vitro studies in breast cancer cell lines showed that cells with high HJURP levels were more sensitive to radiation treatment and had a higher rate of apoptosis than those with low levels. Knock down of HJURP in human breast cancer cells using shRNA reduced the sensitivity to radiation treatment. HJURP mRNA levels were significantly correlated with CENPA mRNA levels.
Conclusions: HJURP mRNA level is a prognostic factor for disease-free and overall survival in patients with breast cancer and is a predictive biomarker for sensitivity to radiotherapy.
C1 [Hu, Zhi; Huang, Ge; Sadanandam, Anguraj; Gu, Shenda; Lenburg, Marc E.; Bayani, Nora; Blakely, Eleanor A.; Gray, Joe W.; Mao, Jian-Hua] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Hu, Zhi; Gray, Joe W.] Univ Calif San Francisco, Dept Lab Med, Helen Diller Family Comprehens Canc Ctr, San Francisco, CA 94143 USA.
[Lenburg, Marc E.] Boston Univ, Sch Med, Dept Pathol & Lab Med, Boston, MA 02118 USA.
[Pai, Melody] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
RP Gray, JW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM JWGray@lbl.gov; JHMao@lbl.gov
RI Lenburg, Marc/B-8027-2008;
OI Lenburg, Marc/0000-0002-5760-4708; Gu, Shenda/0000-0003-2271-0524
FU National Institutes of Health, National Cancer Institute [R01 CA116481,
P50 CA 5820, P30 CA 82103, U54 CA 112970]; Office of Science, Office of
Biological & Environmental Research, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX The research was supported by the National Institutes of Health,
National Cancer Institute grant R01 CA116481 (JHM); by the Director,
Office of Science, Office of Biological & Environmental Research, of the
U.S. Department of Energy under Contract No. DE-AC02-05CH11231, by the
National Institutes of Health, National Cancer Institute grants P50 CA
5820, the P30 CA 82103, and the U54 CA 112970 (JWG).
NR 24
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U2 9
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1465-5411
J9 BREAST CANCER RES
JI Breast Cancer Res.
PY 2010
VL 12
IS 2
AR R18
DI 10.1186/bcr2487
PG 15
WC Oncology
SC Oncology
GA 622AT
UT WOS:000279631100012
PM 20211017
ER
PT J
AU Mukhopadhyay, R
Costes, SV
Bazarov, AV
Hines, WC
Barcellos-Hoff, MH
Yaswen, P
AF Mukhopadhyay, Rituparna
Costes, Sylvain V.
Bazarov, Alexey V.
Hines, William C.
Barcellos-Hoff, Mary Helen
Yaswen, Paul
TI Promotion of variant human mammary epithelial cell outgrowth by ionizing
radiation: an agent-based model supported by in vitro studies
SO BREAST CANCER RESEARCH
LA English
DT Article
ID CPG ISLAND METHYLATION; TUMOR GROWTH DYNAMICS; DE-NOVO METHYLATION;
GALACTOSIDASE ACTIVITY; MAMMALIAN-CELLS; BREAST-CANCER; CYCLE CONTROL;
HUMAN LUNG; GENE; SENESCENCE
AB Introduction: Most human mammary epithelial cells (HMEC) cultured from histologically normal breast tissues enter a senescent state termed stasis after 5 to 20 population doublings. These senescent cells display increased size, contain senescence associated beta-galactosidase activity, and express cyclin-dependent kinase inhibitor, p16(INK4A) (CDKN2A; p16). However, HMEC grown in a serum-free medium, spontaneously yield, at low frequency, variant (v) HMEC that are capable of long-term growth and are susceptible to genomic instability. We investigated whether ionizing radiation, which increases breast cancer risk in women, affects the rate of vHMEC outgrowth.
Methods: Pre-stasis HMEC cultures were exposed to 5 to 200 cGy of sparsely (X- or gamma-rays) or densely (1 GeV/amu (56)Fe) ionizing radiation. Proliferation (bromodeoxyuridine incorporation), senescence (senescence-associated beta-galactosidase activity), and p16 expression were assayed in subcultured irradiated or unirradiated populations four to six weeks following radiation exposure, when patches of vHMEC became apparent. Long-term growth potential and p16 promoter methylation in subsequent passages were also monitored. Agent-based modeling, incorporating a simple set of rules and underlying assumptions, was used to simulate vHMEC outgrowth and evaluate mechanistic hypotheses.
Results: Cultures derived from irradiated cells contained significantly more vHMEC, lacking senescence associated beta-galactosidase or p16 expression, than cultures derived from unirradiated cells. As expected, post-stasis vHMEC cultures derived from both unirradiated and irradiated cells exhibited more extensive methylation of the p16 gene than pre-stasis HMEC cultures. However, the extent of methylation of individual CpG sites in vHMEC samples did not correlate with passage number or treatment. Exposure to sparsely or densely ionizing radiation elicited similar increases in the numbers of vHMEC compared to unirradiated controls. Agent-based modeling indicated that radiation-induced premature senescence of normal HMEC most likely accelerated vHMEC outgrowth through alleviation of spatial constraints. Subsequent experiments using defined co-cultures of vHMEC and senescent cells supported this mechanism.
Conclusions: Our studies indicate that ionizing radiation can promote the outgrowth of epigenetically altered cells with pre-malignant potential.
C1 [Mukhopadhyay, Rituparna; Costes, Sylvain V.; Hines, William C.; Barcellos-Hoff, Mary Helen; Yaswen, Paul] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Bazarov, Alexey V.] Univ Calif San Francisco, Dept Lab Med, San Francisco, CA 94143 USA.
[Barcellos-Hoff, Mary Helen] NYU, Sch Med, Dept Radiat Oncol, New York, NY 10016 USA.
RP Yaswen, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA.
EM P_Yaswen@lbl.gov
RI Costes, Sylvain/D-2522-2013
OI Costes, Sylvain/0000-0002-8542-2389
FU NIEHS NIH HHS [U01 ES012801]
NR 48
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Z9 17
U1 0
U2 2
PU BIOMED CENTRAL LTD
PI LONDON
PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND
SN 1465-5411
J9 BREAST CANCER RES
JI Breast Cancer Res.
PY 2010
VL 12
IS 1
AR R11
DI 10.1186/bcr2477
PG 15
WC Oncology
SC Oncology
GA 587JD
UT WOS:000276986300017
PM 20146798
ER
PT J
AU Taylor, SG
Farinholt, KM
Park, G
Farrar, CR
Todd, MD
AF Taylor, S. G.
Farinholt, K. M.
Park, G.
Farrar, C. R.
Todd, M. D.
BE Frangopol, DM
Sause, R
Kusko, CS
TI Multi-scale wireless sensor node for impedance-based SHM and long-term
civil infrastructure monitoring
SO BRIDGE MAINTENANCE, SAFETY, MANAGEMENT AND LIFE-CYCLE OPTIMIZATION
LA English
DT Proceedings Paper
CT 5th International Conference on Bridge Maintenance, Safety and
Management (IABMAS)
CY JUL 11-15, 2010
CL Lehigh Univ, Adv Technol Large Struct Syst (ATLSS) Engn Res Ctr,
Philadelphia, PA
SP Digitexx Data Syst, Inc, U S Dept Transportat, Fed Highway Adm, Penn Infrastructure Technol Alliance (PITA), T Y Lin Int, Int Assoc Bridge Maintenance & Safety (IABMAS)
HO Lehigh Univ, Adv Technol Large Struct Syst (ATLSS) Engn Res Ctr
ID DIAGNOSTICS; VALIDATION
AB This paper applies a recently developed extremely compact, wireless impedance sensor node (WID3, Wireless Impedance Device) for use in impedance-based structural health monitoring (SHM), sensor diagnostics and low-frequency vibrational data acquisition. Many SHM projects involving wireless sensor nodes have been conducted, but usually over very short time frames with most tests lasting only a matter of days. In this paper, the WID3 is cast as the integral component of a permanent SHM system at a remote civil infrastructure installation, such as a highway bridge. The current generation WID3 is equipped with an Analog Devices AD5933 impedance chip that can resolve measurements up to 100 kHz, a frequency range ideal for many SHM applications. The WID3 combines on-board processing, data storage, wireless communications capabilities, and a series of internal and external triggering options into a single package to realize a truly comprehensive, self-contained wireless active-sensor node for SHM applications. The WID3 requires less than 70 mW of power to operate; its extremely low duty cycle requirements and its ability to operate in various wireless network paradigms make it ideal for permanent monitoring of remote civil infrastructure installations. Experimental results supporting the ability of the WID3 to accurately detect damage in a permanently installed configuration over a period of months are presented.
C1 [Taylor, S. G.; Farinholt, K. M.; Park, G.; Farrar, C. R.] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA.
[Todd, M. D.] Univ Calif San Diego, La Jolla, CA 92093 USA.
RP Taylor, SG (reprint author), Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA.
NR 12
TC 0
Z9 0
U1 0
U2 2
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-0-415-87786-2
PY 2010
BP 313
EP +
PG 2
WC Engineering, Civil; Engineering, Mechanical; Materials Science,
Characterization & Testing
SC Engineering; Materials Science
GA BFN40
UT WOS:000320615000036
ER
PT J
AU Taylor, SG
Miller, NA
Farinholt, KM
Park, G
Farrar, CR
AF Taylor, S. G.
Miller, N. A.
Farinholt, K. M.
Park, G.
Farrar, C. R.
BE Frangopol, DM
Sause, R
Kusko, CS
TI Energy harvesting and wireless energy transmission for powering SHM
sensor nodes
SO BRIDGE MAINTENANCE, SAFETY, MANAGEMENT AND LIFE-CYCLE OPTIMIZATION
LA English
DT Proceedings Paper
CT 5th International Conference on Bridge Maintenance, Safety and
Management (IABMAS)
CY JUL 11-15, 2010
CL Lehigh Univ, Adv Technol Large Struct Syst (ATLSS) Engn Res Ctr,
Philadelphia, PA
SP Digitexx Data Syst, Inc, U S Dept Transportat, Fed Highway Adm, Penn Infrastructure Technol Alliance (PITA), T Y Lin Int, Int Assoc Bridge Maintenance & Safety (IABMAS)
HO Lehigh Univ, Adv Technol Large Struct Syst (ATLSS) Engn Res Ctr
ID DIAGNOSTICS; VALIDATION
AB In this paper, we present a feasibility study using energy harvesting and wireless energy transmission systems to operate SHM sensor nodes. The energy harvesting approach examines the use of kinetic energy harvesters to scavenge energy from ambient sources. Acceleration measurements were made on a bridge, and these measurements serve as the basis for a series of laboratory experiments that replicate these sources using an electromagnetic shaker. We also investigated the use of wireless energy transmission systems to operate SHM sensor nodes. The goal of this investigation is to develop SHM sensing systems which can be permanently embedded in the host structure and do not require on-board power sources. This paper summarizes considerations needed to design such systems, experimental procedures and results, and additional issues that can be used as guidelines for future investigations.
C1 [Taylor, S. G.; Miller, N. A.; Farinholt, K. M.; Park, G.; Farrar, C. R.] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA.
RP Taylor, SG (reprint author), Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA.
NR 21
TC 0
Z9 0
U1 0
U2 1
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-0-415-87786-2
PY 2010
BP 321
EP 328
PG 8
WC Engineering, Civil; Engineering, Mechanical; Materials Science,
Characterization & Testing
SC Engineering; Materials Science
GA BFN40
UT WOS:000320615000037
ER
PT J
AU Gyrya, V
Aranson, IS
Berlyand, LV
Karpeev, D
AF Gyrya, Vitaliy
Aranson, Igor S.
Berlyand, Leonid V.
Karpeev, Dmitry
TI A Model of Hydrodynamic Interaction Between Swimming Bacteria
SO BULLETIN OF MATHEMATICAL BIOLOGY
LA English
DT Article
DE Bacteria; Hydrodynamic interaction; Self-propulsion; Low Reynolds;
Stokes
ID MICROORGANISMS; DIFFUSION; FLAGELLA
AB We study the dynamics and interaction of two swimming bacteria, modeled by self-propelled dumbbell-type structures. We focus on alignment dynamics of a coplanar pair of elongated swimmers, which propel themselves either by "pushing" or "pulling" both in three- and quasi-two-dimensional geometries of space. We derive asymptotic expressions for the dynamics of the pair, which complemented by numerical experiments, indicate that the tendency of bacteria to swim in or swim off depends strongly on the position of the propulsion force. In particular, we observe that positioning of the effective propulsion force inside the dumbbell results in qualitative agreement with the dynamics observed in experiments, such as mutual alignment of converging bacteria.
C1 [Gyrya, Vitaliy; Berlyand, Leonid V.] Penn State Univ, Dept Math, University Pk, PA 16802 USA.
[Aranson, Igor S.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Karpeev, Dmitry] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA.
RP Gyrya, V (reprint author), Penn State Univ, Dept Math, 418 McAllister Bldg, University Pk, PA 16802 USA.
EM gyrya@math.psu.edu
RI Aranson, Igor/I-4060-2013;
OI Gyrya, Vitaliy/0000-0002-5083-8878
FU US DOE [DE-AC0206-CH11357]; DOE [DE-FG02-08ER25862]; NSF [DMS-0708324]
FX The work of Igor Aranson and Dmitry Karpeev was supported by US DOE
contract DE-AC0206-CH11357. The work of Vitaliy Gyrya and Leonid
Berlyand was supported by DOE grant DE-FG02-08ER25862 and NSF grant
DMS-0708324.
NR 36
TC 16
Z9 16
U1 0
U2 15
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 JAN
PY 2010
VL 72
IS 1
BP 148
EP 183
DI 10.1007/s11538-009-9442-6
PG 36
WC Biology; Mathematical & Computational Biology
SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational
Biology
GA 542GM
UT WOS:000273481000007
PM 19644725
ER
PT J
AU Glimm, J
AF Glimm, J.
TI REFLECTIONS AND PROSPECTIVES
SO BULLETIN OF THE AMERICAN MATHEMATICAL SOCIETY
LA English
DT Article
AB Intellectual challenges and opportunities for mathematics are greater than ever. The role of mathematics in society continues to grow; with this growth comes new opportunities and some growing pains; each will be analyzed here.
C1 [Glimm, J.] SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA.
RP Glimm, J (reprint author), Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11793 USA.
FU U.S. Department of Energy [DE-FC52-08NA28614, DE-AC07-05ID14517,
DE-FG07-07ID14889]; Army Research Office [W911NF0910306]
FX This work was supported in part by U.S. Department of Energy grants
DE-FC52-08NA28614, DE-AC07-05ID14517 and DE-FG07-07ID14889, and the Army
Research Office grant W911NF0910306.
NR 12
TC 1
Z9 1
U1 0
U2 2
PU AMER MATHEMATICAL SOC
PI PROVIDENCE
PA 201 CHARLES ST, PROVIDENCE, RI 02940-2213 USA
SN 0273-0979
J9 B AM MATH SOC
JI Bull. Amer. Math. Soc.
PD JAN
PY 2010
VL 47
IS 1
BP 127
EP 136
PG 10
WC Mathematics
SC Mathematics
GA 677CJ
UT WOS:000283966400004
ER
PT J
AU Xie, SC
McCoy, RB
Klein, SA
Cederwall, RT
Wiscombe, WJ
Clothiaux, EE
Gaustad, KL
Golaz, JC
Hall, SD
Jensen, MP
Johnson, KL
Lin, YL
Long, CN
Mather, JH
McCord, RA
McFarlane, SA
Palanisamy, G
Shi, Y
Turner, DDD
AF Xie, Shaocheng
McCoy, Renata B.
Klein, Stephen A.
Cederwall, Richard T.
Wiscombe, Warren J.
Clothiaux, Eugene E.
Gaustad, Krista L.
Golaz, Jean-Christophe
Hall, Stefanie D.
Jensen, Michael P.
Johnson, Karen L.
Lin, Yanluan
Long, Charles N.
Mather, James H.
McCord, Raymond A.
McFarlane, Sally A.
Palanisamy, Giri
Shi, Yan
Turner, Davi D. D.
TI ARM CLIMATE MODELING BEST ESTIMATE DATA A New Data Product for Climate
Studies
SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY
LA English
DT Article
ID RADIATION; SIMULATIONS
C1 [Xie, Shaocheng] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div L103, Livermore, CA 94550 USA.
[McCord, Raymond A.; Palanisamy, Giri] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Clothiaux, Eugene E.] Penn State Univ, University Pk, PA 16802 USA.
[Long, Charles N.; Mather, James H.; McFarlane, Sally A.; Shi, Yan] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Golaz, Jean-Christophe; Lin, Yanluan] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ USA.
[Wiscombe, Warren J.; Jensen, Michael P.; Johnson, Karen L.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Turner, Davi D. D.] Univ Wisconsin Madison, Madison, WI USA.
RP Xie, SC (reprint author), Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div L103, POB 808, Livermore, CA 94550 USA.
EM xie2@llnl.gov
RI McFarlane, Sally/C-3944-2008; Wiscombe, Warren/D-4665-2012; Xie,
Shaocheng/D-2207-2013; Golaz, Jean-Christophe/D-5007-2014; lin,
yanluan/A-6333-2015; Klein, Stephen/H-4337-2016;
OI Wiscombe, Warren/0000-0001-6844-9849; Xie,
Shaocheng/0000-0001-8931-5145; Golaz,
Jean-Christophe/0000-0003-1616-5435; Klein, Stephen/0000-0002-5476-858X;
McCord, Raymond/0000-0002-9182-4288
NR 15
TC 60
Z9 61
U1 1
U2 14
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0003-0007
J9 B AM METEOROL SOC
JI Bull. Amer. Meteorol. Soc.
PD JAN
PY 2010
VL 91
IS 1
BP 13
EP +
DI 10.1175/2009BAMS2891.1
PG 9
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 567CO
UT WOS:000275420100001
ER
PT J
AU Weller, H
Ringler, T
Piggott, M
Wood, N
AF Weller, Hilary
Ringler, Todd
Piggott, Matthew
Wood, Nigel
TI CHALLENGES FACING ADAPTIVE MESH MODELING OF THE ATMOSPHERE AND OCEAN
SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY
LA English
DT Editorial Material
C1 [Weller, Hilary] Univ Reading, Dept Meteorol, Natl Ctr Atmospher Sci, Reading RG6 6BB, Berks, England.
[Ringler, Todd] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Los Alamos, NM USA.
[Piggott, Matthew] Univ London Imperial Coll Sci Technol & Med, Grantham Inst Climate Change, London, England.
[Wood, Nigel] Met Off, Exeter, Devon, England.
RP Weller, H (reprint author), Univ Reading, Dept Meteorol, Natl Ctr Atmospher Sci, Reading RG6 6BB, Berks, England.
EM h.weller@reading.ac.uk
RI Weller, Hilary/A-1565-2011
OI Weller, Hilary/0000-0003-4553-7082
NR 0
TC 10
Z9 10
U1 0
U2 7
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0003-0007
J9 B AM METEOROL SOC
JI Bull. Amer. Meteorol. Soc.
PD JAN
PY 2010
VL 91
IS 1
BP 105
EP +
DI 10.1175/2009BAMS2907.1
PG 5
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA 567CO
UT WOS:000275420100008
ER
PT J
AU Hayes, SL
Lye, DJ
McKinstry, CA
Vesper, SJ
AF Hayes, Samuel L.
Lye, Dennis J.
McKinstry, Craig A.
Vesper, Stephen J.
TI Aeromonas caviae strain induces Th1 cytokine response in mouse
intestinal tract
SO CANADIAN JOURNAL OF MICROBIOLOGY
LA English
DT Article
DE Aeromonas caviae; Th1 response; interferon induced gene expression
ID INFLAMMATORY BOWEL DISEASES; TRANSFER-RNA-SYNTHETASE; BARRIER FUNCTION;
CELLS; MICE; IDENTIFICATION; MECHANISMS; INFECTION; VIRULENCE; PROTEINS
AB Aeromonas caviae has been associated with human gastrointestinal disease. Strains of this species typically lack virulence factors (VFs) such as enterotoxins and hemolysins that are produced by other human pathogens of the Aeromonas genus. Microarray profiling of murine small intestinal extracts, 24 h after oral infection with an A. caviae strain, provides evidence of a Th1 type immune response. A large number of gamma-interferon (gamma-IFN) induced genes are up-regulated as well as several tumor necrosis factor-alpha (TNF-alpha) transcripts. Aeromonas caviae has always been considered an opportunistic pathogen because it lacks obvious virulence factors. This current effort suggests that an A. caviae strain can colonize the murine intestinal tract and cause what has been described by others as a dysregulatory cytokine response. This response could explain why a number of diarrheal waterborne disease cases have been attributed to A. caviae even though it lacks obvious enteropathogenic properties.
C1 [Hayes, Samuel L.] US EPA, Natl Risk Management Res Lab, Water Supply Water Resources Div, Cincinnati, OH 45268 USA.
[Lye, Dennis J.; Vesper, Stephen J.] US EPA, Natl Exposure Res Lab, Microbial & Chem Exposure Assessment Res Div, Cincinnati, OH 45268 USA.
[McKinstry, Craig A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Hayes, SL (reprint author), US EPA, Natl Risk Management Res Lab, Water Supply Water Resources Div, 26 W Martin Luther King Dr,MS-387, Cincinnati, OH 45268 USA.
EM hayes.sam@epa.gov
NR 17
TC 0
Z9 0
U1 0
U2 1
PU NATL RESEARCH COUNCIL CANADA-N R C RESEARCH PRESS
PI OTTAWA
PA BUILDING M 55, OTTAWA, ON K1A 0R6, CANADA
SN 0008-4166
J9 CAN J MICROBIOL
JI Can. J. Microbiol.
PD JAN
PY 2010
VL 56
IS 1
BP 27
EP 31
DI 10.1139/W09-107
PG 5
WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Immunology; Microbiology
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Immunology; Microbiology
GA 553FQ
UT WOS:000274352000005
PM 20130691
ER
PT J
AU Rodland, KD
Maihle, NJ
AF Rodland, Karin D.
Maihle, Nita J.
TI Searching for a system: The quest for ovarian cancer biomarkers
SO CANCER BIOMARKERS
LA English
DT Article
DE Ovarian cancer; diagnostics; biomarkers; early detection; systems
biology
ID MULTIVARIATE INDEX ASSAY; GROWTH-FACTOR RECEPTOR; MOLECULAR-CLONING;
MONOCLONAL-ANTIBODY; TUMOR BIOMARKERS; GENE-EXPRESSION; BREAST-CANCER;
PELVIC MASS; MARKERS; CARCINOMA
AB The stark difference in clinical outcome for patients with ovarian cancer diagnosed at early stages (95% survival at 5 years) versus late stages (27.6% survival at 5 years) has driven a decades-long quest for effective biomarkers that will enable earlier detection of ovarian cancer. Yet despite intense efforts, including the application of modern high throughput technologies including transcriptomics and proteomics, there has been little improvement in performance compared to the gold standard of quantifying serum CA125 immunoreactivity paired with transvaginal ultrasound. This review describes the strategies that have been used for identification of ovarian cancer biomarkers, including the recent introduction of novel bioinformatic approaches. Results obtained using high throughput-based vs. biologically rational approaches for the discovery of diagnostic early detection biomarkers are compared and analyzed for functional enrichment.
C1 [Rodland, Karin D.] Pacific NW Natl Lab, Div Biol Sci, Washington, DC USA.
[Maihle, Nita J.] Yale Univ, Sch Med, Dept Ob Gyn & Reprod Sci, New Haven, CT USA.
[Maihle, Nita J.] Yale Univ, Sch Med, Dept Pathol, New Haven, CT 06510 USA.
[Maihle, Nita J.] Yale Univ, Sch Med, Dept Pharmacol, New Haven, CT 06510 USA.
RP Rodland, KD (reprint author), 902 Battelle Blvd,POB 999 MSIN J4-16, Richland, WA 99352 USA.
EM karin.rodland@pnl.gov
FU Early Detection Research Network of the National Cancer Institute [IAA
Y1-CN-0002-1]; Yale University
FX This work was supported by funding from the Early Detection Research
Network of the National Cancer Institute, IAA Y1-CN-0002-1 to KDR, and a
Senior Women in Medicine Professorship from Yale University to NJM. Our
thanks to Steven Wiley, PNNL, Richland, WA and Andre T. Baron, U.
Kentucky, Lexington, KY for critical reading of the manuscript.
NR 60
TC 2
Z9 2
U1 0
U2 1
PU IOS PRESS
PI AMSTERDAM
PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS
SN 1574-0153
J9 CANCER BIOMARK
JI Cancer Biomark.
PY 2010
VL 8
IS 4-5
BP 223
EP 230
DI 10.3233/CBM-2011-0216
PG 8
WC Oncology
SC Oncology
GA 844OV
UT WOS:000296757900006
PM 22045355
ER
PT J
AU Baird, CL
Fischer, CJ
Pefaur, NB
Miller, KD
Kagan, J
Srivastava, S
Rodland, KD
AF Baird, Cheryl L.
Fischer, Christopher J.
Pefaur, Noah B.
Miller, Keith D.
Kagan, Jacob
Srivastava, Sudhir
Rodland, Karin D.
TI Developing recombinant antibodies for biomarker detection
SO CANCER BIOMARKERS
LA English
DT Article
DE Yeast surface display; phage display; affinity maturation; recombinant
immune library; recombinant non-immune library; directed molecular
evolution
ID YEAST SURFACE-DISPLAY; AFFINITY HUMAN-ANTIBODIES; DIRECTED EVOLUTION;
BOTULINUM NEUROTOXIN; MOLECULAR EVOLUTION; RANDOM MUTAGENESIS;
LIBRARIES; PHAGE; MATURATION; ANTIGEN
AB Monoclonal antibodies (mAbs) have an essential role in biomarker validation and diagnostic assays. A barrier to pursuing these applications is the reliance on immunization and hybridomas to produce mAbs, which is time-consuming and may not yield the desired mAb. We recommend a process flow for affinity reagent production that utilizes combinatorial protein display systems (e. g., yeast surface display or phage display) rather than hybridomas. These systems link a selectable phenotype-binding conferred by an antibody fragment-with a means for recovering the encoding gene. Recombinant libraries obtained from immunizations can produce high-affinity antibodies (< 10 nM) more quickly than other methods. Non-immune libraries provide an alternate route when immunizations are not possible, or when suitable mAbs are not recovered from an immune library. Directed molecular evolution (DME) is an integral part of optimizing mAbs obtained from combinatorial protein display, but can also be used on hybridoma-derived mAbs. Variants can easily be obtained and screened to increase the affinity of the parent mAb (affinity maturation). We discuss examples where DME has been used to tailor affinity reagents to specific applications. Combinatorial protein display also provides an accessible method for identifying antibody pairs, which are necessary for sandwich-type diagnostic assays.
C1 [Baird, Cheryl L.; Miller, Keith D.; Rodland, Karin D.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Fischer, Christopher J.] Chris Fischer LLC, Pasco, WA USA.
[Pefaur, Noah B.] Novo Nordisk Inflammat Res Ctr, Dept Target Discovery & Validat, Seattle, WA USA.
[Kagan, Jacob; Srivastava, Sudhir] NCI, Canc Biomarkers Res Grp, Canc Prevent Div, NIH, Bethesda, MD 20892 USA.
RP Baird, CL (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM cheryl.baird@pnl.gov
RI Baird, Cheryl/F-6569-2011
FU National Cancer Institute [Y1-CN-5014]; United States Department of
Energy (LaboratoryDirected Research and Development)
FX This work was supported by the Early Detection Research Network of the
National Cancer Institute by cooperative agreement Y1-CN-5014 and by the
United States Department of Energy (LaboratoryDirected Research and
Development).
NR 44
TC 2
Z9 2
U1 0
U2 4
PU IOS PRESS
PI AMSTERDAM
PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS
SN 1574-0153
J9 CANCER BIOMARK
JI Cancer Biomark.
PY 2010
VL 6
IS 5-6
BP 271
EP 279
DI 10.3233/CBM-2009-0144
PG 9
WC Oncology
SC Oncology
GA 661SY
UT WOS:000282749600005
PM 20938087
ER
PT J
AU Jin, HJ
Zangar, RC
AF Jin, Hongjun
Zangar, Richard C.
TI Antibody microarrays for high-throughput, multianalyte analysis
SO CANCER BIOMARKERS
LA English
DT Article
DE Antibody microarray; multianalyte; multiplex; high-throughput;
biomarker; calibration
ID BREAST-CANCER; PROTEIN MODIFICATIONS; MULTIPLEXED ANALYSIS; SURFACE
CHEMISTRIES; ABUNDANCE PROTEINS; SANDWICH-ELISA; BIOMARKER; SERUM;
ASSAY; TOOL
AB Enzyme-linked immunosorbent assay (ELISA) microarray technology promises to be a powerful tool for detecting and validating protein biomarkers, especially panels of biomarkers. ELISA microarrays are capable of high-throughput analysis of multiple proteins using small sample volumes. In this chapter we review the literature on the use of antibody microarrays for biomarker discovery and validation. We also described the methodologies we employ to obtain high-quality data through protocol optimization and data calibration.
C1 [Jin, Hongjun; Zangar, Richard C.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Zangar, RC (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM richard.zangar@pnl.gov
FU NIH [CA117378, EB006177]
FX This review is supported by NIH grants CA117378 and EB006177.
NR 70
TC 8
Z9 8
U1 0
U2 12
PU IOS PRESS
PI AMSTERDAM
PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS
SN 1574-0153
J9 CANCER BIOMARK
JI Cancer Biomark.
PY 2010
VL 6
IS 5-6
BP 281
EP 290
DI 10.3233/CBM-2009-0140
PG 10
WC Oncology
SC Oncology
GA 661SY
UT WOS:000282749600006
PM 20938088
ER
PT S
AU Dameron, A
Bult, J
Pylypenko, S
Engtrakul, C
Bochert, C
Chen, L
Leong, J
Frisco, S
Simpson, L
Dinh, H
Pivovar, B
AF Dameron, A.
Bult, J.
Pylypenko, S.
Engtrakul, C.
Bochert, C.
Chen, L.
Leong, J.
Frisco, S.
Simpson, L.
Dinh, H.
Pivovar, B.
BE Pribat, D
Lee, YH
Razeghi, M
TI Atomic Layer Deposition for Aligned Growth of and Conformal Deposition
onto Double and Triple Walled Carbon Nanotubes
SO CARBON NANOTUBES, GRAPHENE, AND ASSOCIATED DEVICES III
SE Proceedings of SPIE-The International Society for Optical Engineering
LA English
DT Proceedings Paper
CT Conference On Carbon Nanotubes, Graphene, and Associated Devices III
CY AUG 01-04, 2010
CL San Diego, CA
SP SPIE
DE aligned carbon nanotubes; atomic layer deposition; platinum; iron; fuel
cells; catalysts
ID OXIDE; FERROCENE; OXYGEN
AB We present our work on the growth and functionalization of carbon nanotubes (CNTs). A significant challenge in the growth of aligned single, double and triple walled nanotubes is in the deposition of a controlled thickness catalyst layer. Conventional techniques using line of sight deposition such as sputtering and evaporation produce uniform catalyst layers only when extreme care is taken in the placement of flat substrates. Growth of aligned low wall number carbon nanotubes on contoured, complex geometry, or large surface area substrates is simply not technically feasible through these techniques. Using iron atomic layer deposition (ALD) with ferrocene and oxygen precursors for catalyst deposition circumvents the line of sight problems and allows for uniform coverage across almost all substrates. Furthermore the ALD technique allows for extremely accurate and reproducible thickness depositions. Using these ALD catalyst layers reproducible aligned arrays consisting of primarily double and triple wall CNTS can be fabricated.
Conformal coatings onto high aspect ratio surfaces are particularly challenging. The walls of single carbon nanotubes in a nanotube array are inaccessible by line of sight techniques. ALD circumvents this problem by relying on a gas-surface reaction to initiate growth. Generally, growth of ALD films on CNTs results in beading of the deposited materials around CNT defects. This is particularly true of high surface energy materials. The number of nucleation sites and the onset of growth of Pt by ALD can be tuned by use of Ar plasma, O2 plasma and chemical functionalization.
C1 [Dameron, A.; Bult, J.; Pylypenko, S.; Engtrakul, C.; Leong, J.; Frisco, S.; Simpson, L.; Dinh, H.; Pivovar, B.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Dameron, A (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA.
NR 12
TC 0
Z9 0
U1 1
U2 12
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-8257-0
J9 P SOC PHOTO-OPT INS
PY 2010
VL 7761
AR 776108
DI 10.1117/12.861090
PG 7
WC Nanoscience & Nanotechnology; Optics; Physics, Applied
SC Science & Technology - Other Topics; Optics; Physics
GA BSU49
UT WOS:000285828000004
ER
PT B
AU Kyotani, T
Chmiola, J
Gogotsi, Y
AF Kyotani, Takashi
Chmiola, John
Gogotsi, Yury
BE Beguin, F
Frackowiak, E
TI Carbide-Derived Carbons and Templated Carbons
SO CARBONS FOR ELECTROCHEMICAL ENERGY STORAGE AND CONVERSION SYSTEMS
SE Advanced Materials and Technologies Series
LA English
DT Article; Book Chapter
ID DOUBLE-LAYER CAPACITORS; ELECTROCHEMICAL ENERGY-STORAGE; PORE-SIZE
DISTRIBUTION; PARTICLE MICROELECTRODE TECHNIQUE; AREA MICROPOROUS
CARBON; ALUMINUM-OXIDE FILM; NANOPOROUS CARBON; ACTIVATED CARBON;
SILICON-CARBIDE; SURFACE-AREA
C1 [Kyotani, Takashi] Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 980, Japan.
[Chmiola, John; Gogotsi, Yury] Drexel Univ, AJ Drexel Nanotechnol Inst, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.
[Chmiola, John] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Kyotani, T (reprint author), Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 980, Japan.
NR 164
TC 2
Z9 2
U1 1
U2 1
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4200-5540-5; 978-1-4200-5307-4
J9 ADV MAT TECH SER
PY 2010
BP 77
EP 113
PG 37
WC Electrochemistry; Energy & Fuels
SC Electrochemistry; Energy & Fuels
GA BC8CF
UT WOS:000355543200004
ER
PT B
AU Kerfeld, CA
Alexandre, M
Kirilovsky, D
AF Kerfeld, Cheryl A.
Alexandre, Maxime
Kirilovsky, Diana
BE Landrum, JT
TI The Orange Carotenoid Protein of Cyanobacteria
SO CAROTENOIDS: PHYSICAL, CHEMICAL, AND BIOLOGICAL FUNCTIONS AND PROPERTIES
LA English
DT Article; Book Chapter
ID SYNECHOCYSTIS SP PCC-6803; MEDIATED SIGNAL-TRANSDUCTION; PHOTOACTIVE
YELLOW PROTEIN; BLUE-LIGHT; ENERGY-DISSIPATION; PHYCOBILISOME
FLUORESCENCE; EXCITATION-ENERGY; BINDING-PROTEIN; PHOTOSYSTEM-I;
HIGHER-PLANTS
C1 [Kerfeld, Cheryl A.] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA.
[Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
[Alexandre, Maxime] Vrije Univ Amsterdam, Fac Sci, Dept Biophys, Amsterdam, Netherlands.
[Kirilovsky, Diana] Inst Biol & Technol Saclay, Commissariat Energie Atom, Gif Sur Yvette, France.
[Kirilovsky, Diana] Ctr Natl Rech Sci, Gif Sur Yvette, France.
RP Kerfeld, CA (reprint author), US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA.
NR 58
TC 8
Z9 8
U1 0
U2 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4200-5231-2; 978-1-4200-5230-5
PY 2010
BP 3
EP 17
PG 15
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA BC7QN
UT WOS:000355146600002
ER
PT J
AU Kiplinger, N
Hannum, W
AF Kiplinger, Nancy
Hannum, Wallace
BA Mukerji, S
Tripathi, P
BF Mukerji, S
Tripathi, P
TI Safe Motherhood Clinical Skills: A Self-Paced Learning Intervention in
Ghana
SO CASES ON TRANSNATIONAL LEARNING AND TECHNOLOGICALLY ENABLED ENVIRONMENTS
LA English
DT Article; Book Chapter
AB This case explores the challenges of providing training to health care personnel in Ghana that is appropriate 1) in terms of training content to enable them to perform well in their positions, and 2) in terms of training delivery to take into account the geographic, social, and economic circumstances in Ghana. The approach taken uses self-paced learning modules, paired learning teams, clinical practice with feedback, and supervision. The strategy is illustrated through an example of a learning package that was evaluated for effectiveness, efficiency, and acceptability. The evaluation demonstrated that this approach produced greater learning gains than a traditional approach and was cost-effective. The case proposes solutions to strengthen pedagogy and a strategy for ensuring that the learning design is effective before it is deployed via technology.
C1 [Kiplinger, Nancy] Univ N Carolina, Sch Govt, Chapel Hill, NC 27599 USA.
[Kiplinger, Nancy] Univ N Carolina, Sch Med, Chapel Hill, NC USA.
[Kiplinger, Nancy] Univ N Carolina, Sch Nursing, Chapel Hill, NC USA.
[Kiplinger, Nancy] SAS Inc, Cary, NC 27513 USA.
[Kiplinger, Nancy] Battelle Pacific NW Labs, Richland, WA USA.
[Hannum, Wallace] Univ N Carolina, Educ Psychol Program, Chapel Hill, NC USA.
[Hannum, Wallace] Natl Res Ctr Rural Educ Support, Chapel Hill, NC 27599 USA.
RP Kiplinger, N (reprint author), Univ N Carolina, Sch Govt, Chapel Hill, NC 27599 USA.
NR 28
TC 0
Z9 0
U1 0
U2 1
PU IGI GLOBAL
PI HERSEY
PA 701 E CHOCOLATE AVE, STE 200, HERSEY, PA 17033-1240 USA
BN 978-1-61520-750-3
PY 2010
BP 103
EP 117
DI 10.4018/978-1-61520-749-7.ch006
D2 10.4018/978-1-61520-749-7
PG 15
WC Computer Science, Theory & Methods; Education & Educational Research
SC Computer Science; Education & Educational Research
GA BUB66
UT WOS:000288747100008
ER
PT B
AU Yang, G
James, RB
AF Yang, Ge
James, R. B.
BE Triboulet, R
Siffert, P
TI Applications of CdTe, CdZnTe, and CdMnTe Radiation Detectors
SO CDTE AND RELATED COMPOUNDS; PHYSICS, DEFECTS, HETERO- AND
NANO-STRUCTURES, CRYSTAL GROWTH, SURFACES AND APPLICATIONS, PART II:
CRYSTAL GROWTH, SURFACES AND APPLICATIONS
LA English
DT Article; Book Chapter
ID GAMMA-RAY DETECTORS; X-RAY; HIGH-RESOLUTION; MEDICAL APPLICATIONS;
CAMERA; PERFORMANCE; INDUSTRIAL; CRYSTALS; MISSION; ARRAYS
C1 [Yang, Ge; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Yang, G (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
NR 43
TC 1
Z9 1
U1 0
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
BN 978-0-08-096514-7; 978-0-08-096513-0
PY 2010
BP 214
EP 238
PG 25
WC Crystallography
SC Crystallography
GA BFK41
UT WOS:000320231200009
ER
PT J
AU Marchetti, F
Venkatachalam, S
AF Marchetti, Francesco
Venkatachalam, Sundaresan
TI The multiple roles of Bub1 in chromosome segregation during mitosis and
meiosis
SO CELL CYCLE
LA English
DT Article
DE spindle assembly checkpoint; mitosis; meiosis; Bub1; aneuploidy;
chromosome segregation; checkpoint
ID SPINDLE-ASSEMBLY CHECKPOINT; SISTER-CHROMATID COHESION; CELL-CYCLE
CHECKPOINTS; KINETOCHORE LOCALIZATION; MICROTUBULE ATTACHMENT;
PROTEIN-KINASE; OOCYTE MATURATION; MAMMALIAN OOCYTES; MOUSE OOCYTES;
MATERNAL AGE
AB Aneuploidy, any deviation from an exact multiple of the haploid number of chromosomes, is a common occurrence in cancer and represents the most frequent chromosomal disorder in newborns. Eukaryotes have evolved mechanisms to assure the fidelity of chromosome segregation during cell division that include a multiplicity of checks and controls. One of the main cell division control mechanisms is the spindle assembly checkpoint (SAC) that monitors the proper attachment of chromosomes to spindle fibers and prevents anaphase until all kinetochores are properly attached. The mammalian SAC is composed of at least 14 evolutionary-conserved proteins that work in a coordinated fashion to monitor the establishment of amphitelic attachment of all chromosomes before allowing cell division to occur. Among the SAC proteins, the budding uninhibited by benzimidazole protein 1 (Bub1), is a highly conserved protein of prominent importance for the proper functioning of the SAC. Studies have revealed many roles for Bub1 in both mitosis and meiosis, including the localization of other SAC proteins to the kinetochore, SAC signaling, metaphase congression and the protection of sister chromatid cohesion. Recent data show striking sex specific differences in the response of germ cells to alterations in Bub1 activity. Proper Bub1 functioning is particularly important during oogenesis in preventing the generation of aneuploid gametes that can have detrimental effects on the health status of the fetus and the newborn. These data suggest that Bub1 is a master regulator of SAC and chromosomal segregation in both mitosis and meiosis. Elucidating its many essential functions in regulating proper chromosome segregation can have important consequences for preventing tumorigenesis and developmental abnormalities.
C1 [Marchetti, Francesco] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Venkatachalam, Sundaresan] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN USA.
RP Marchetti, F (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA.
EM fmarchetti@lbl.gov; sundar@utk.edu
OI Marchetti, Francesco/0000-0002-9435-4867
FU University of California, LBNL [DE-AC02-05CH11231]; University of
Tennessee
FX Work performed in part under the auspices of the U. S. Department of
Energy by the University of California, LBNL under contract
DE-AC02-05CH11231. S. V. was supported by the University of Tennessee
start-up funds.
NR 84
TC 12
Z9 13
U1 0
U2 2
PU LANDES BIOSCIENCE
PI AUSTIN
PA 1806 RIO GRANDE ST, AUSTIN, TX 78702 USA
SN 1538-4101
J9 CELL CYCLE
JI Cell Cycle
PD JAN 1
PY 2010
VL 9
IS 1
BP 58
EP 63
DI 10.4161/cc.9.1.10348
PG 6
WC Cell Biology
SC Cell Biology
GA 539EQ
UT WOS:000273236800022
PM 20016277
ER
PT S
AU Marra, JC
Billings, AL
Crum, JV
Ryan, JV
Vienna, JD
AF Marra, J. C.
Billings, A. L.
Crum, J. V.
Ryan, J. V.
Vienna, J. D.
BE Boccaccini, A
Marra, J
Dogan, F
Lin, HT
Watanabe, T
TI DEVELOPMENT OF GLASS COMPOSITIONS TO IMMOBILIZE ALKALI, ALKALINE EARTH,
LANTHANIDE AND TRANSITION METAL FISSION PRODUCTS FROM NUCLEAR FUEL
REPROCESSING
SO CERAMICS FOR ENVIRONMENTAL AND ENERGY APPLICATIONS
SE Ceramic Transactions
LA English
DT Proceedings Paper
CT 8th Pacific Rim Conference on Ceramic and Glass Technology
CY MAY 31-JUN 05, 2009
CL Vancouver, CANADA
SP Amer Ceram Soc
AB The Advanced Fuel Cycle Initiative (AFCI) waste management strategy revolves around specific treatment of individual or groups of separated waste streams. A goal for the separations processes is to efficiently manage the waste to be dispositioned as high level radioactive waste. The Advanced Fuel Cycle Initiative (AFCI) baseline technology for immobilization of the lanthanide (Ln) and transition metal fission product (TM) wastes is vitrification into a borosilicate glass. A current interest is to evaluate the feasibility of vitrifying combined waste streams to most cost effectively immobilize the wastes resulting from aqueous fuel reprocessing.
Studies showed that high waste loadings are achievable for the Ln only (Option 1) stream. Waste loadings in excess of 60 wt (on a calcined oxide basis) were demonstrated via a lanthanide borosilicate (LaBS) glass. The resulting glasses had excellent relative durability as determined by the Product Consistency Test (PCT). For a combined Ln and TM waste stream glass (Option 2), noble metal solubility was found to limit waste loading. However, the measured PCT normalized elemental releases for this glass were at least an order of magnitude below that of Environmental Assessment (EA) glass. Current efforts to evaluate the feasibility of vitrifying combined Ln, TM, alkali (Cs is the primary radionuclide of concern) and alkaline earth (Sr is the primary radionuclide of concern) wastes (Option 3) have shown that these approaches are feasible. However, waste loading limitations with respect to heat load (Cs/Sr loading), molybdenum solubility and/or noble metal solubility will likely be realized and must be considered in determining the cost effectiveness of these approaches.
C1 [Marra, J. C.; Billings, A. L.] Savannah River Natl Lab, Aiken, SC 29808 USA.
[Crum, J. V.; Ryan, J. V.; Vienna, J. D.] Pacific Northwest Natl Lab, Richland, WA USA.
RP Marra, JC (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA.
NR 8
TC 1
Z9 1
U1 2
U2 9
PU AMER CERAMIC SOC
PI WESTERVILLE
PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA
SN 1042-1122
BN 978-0-470-90547-0
J9 CERAM TRANS
PY 2010
VL 217
BP 3
EP +
PG 3
WC Materials Science, Ceramics; Materials Science, Multidisciplinary
SC Materials Science
GA BTL77
UT WOS:000287224900002
ER
PT S
AU Stefanovsky, SV
Ptashkin, AG
Shiryaev, AA
Zubavitchus, JV
Veligjanin, AA
Marra, JC
Chukalina, MV
AF Stefanovsky, S. V.
Ptashkin, A. G.
Shiryaev, A. A.
Zubavitchus, J. V.
Veligjanin, A. A.
Marra, J. C.
Chukalina, M. V.
BE Boccaccini, A
Marra, J
Dogan, F
Lin, HT
Watanabe, T
TI XAFS OF Pu L-III EDGE IN LaBS GLASS
SO CERAMICS FOR ENVIRONMENTAL AND ENERGY APPLICATIONS
SE Ceramic Transactions
LA English
DT Proceedings Paper
CT 8th Pacific Rim Conference on Ceramic and Glass Technology
CY MAY 31-JUN 05, 2009
CL Vancouver, CANADA
SP Amer Ceram Soc
ID BOROSILICATE GLASS; IMMOBILIZATION; ACTINIDES
AB Plutonium-bearing LaBS glass with a target chemical composition (wt %): 9.0 Al2O3, 11.8 B2O3, 12.2 Gd2O3, 6.3 HfO2, 17.2 La2O3, 13.6 Nd2O3, 9.5 PuO2, 18.1 SiO2, 2.3 SrO was prepared from PuO2 powder that was mechanically mixed with chemicals. The batch was heated to a temperature of 1500 degrees C at a rate of 10 degrees C/min followed by holding for 30 min and cooling down to room temperature at a rate of 10 degrees C/min. The product was re-milled, heated and cooled by the same procedure in an attempt to better homogenize the glass. The product obtained was visually homogeneous. X-ray diffraction of the as-prepared glass indicated a major vitreous phase and minor concentrations of britholite and PuO2. The fraction of crystalline constituent appeared to increase with storage time. Fourier and wavelet transforms of EXAFS spectrum of Pu L-III edge showed that the intensity of the peak due to first co-ordination sphere was much higher than that due to the second co-ordination sphere. This indicated that despite the fact that some Pu entered crystalline phases (PuO2, britholite), a significant fraction of Pu remained in the vitreous phase. Plutonium in the glass is predominantly tetravalent. The oxygen environment of the Pu4+ ions in the vitreous phase resembles axially squeezed tetragonal pyramid with a coordination number similar to 5.
C1 [Stefanovsky, S. V.; Ptashkin, A. G.] SIA Radon, Moscow, Russia.
[Shiryaev, A. A.] Inst Crystallog RAS, Moscow, Russia.
[Zubavitchus, J. V.; Veligjanin, A. A.] RRC Kurchatov Inst, Moscow, Russia.
[Marra, J. C.] Savannah River Natl Lab, Aiken, SC 29803 USA.
[Chukalina, M. V.] Inst Microelect Technol RAS, Moscow, Russia.
RP Stefanovsky, SV (reprint author), SIA Radon, Moscow, Russia.
RI Shiryaev, Andrei/F-7643-2012; Zubavichus, Yan/A-3418-2014
OI Zubavichus, Yan/0000-0003-2266-8944
NR 16
TC 2
Z9 2
U1 1
U2 2
PU AMER CERAMIC SOC
PI WESTERVILLE
PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA
SN 1042-1122
BN 978-0-470-90547-0
J9 CERAM TRANS
PY 2010
VL 217
BP 17
EP +
PG 3
WC Materials Science, Ceramics; Materials Science, Multidisciplinary
SC Materials Science
GA BTL77
UT WOS:000287224900004
ER
PT S
AU Stefanovsky, OI
Stefanovsky, SV
Suntsov, DY
Akatov, AA
Marra, JC
AF Stefanovsky, O. I.
Stefanovsky, S. V.
Suntsov, D. Y.
Akatov, A. A.
Marra, J. C.
BE Boccaccini, A
Marra, J
Dogan, F
Lin, HT
Watanabe, T
TI PHASE FORMATION STUDIES USING X-RAY DIFFRACTION AND INFRARED
SPECTROSCOPY IN THE VITRIFICATION OF SAVANNAH RIVER SITE SB4 HLW SLUDGE
SURROGATE WITH HIGH IRON AND ALUMINUM CONTENTS AT HIGH WASTE LOADINGS
SO CERAMICS FOR ENVIRONMENTAL AND ENERGY APPLICATIONS
SE Ceramic Transactions
LA English
DT Proceedings Paper
CT 8th Pacific Rim Conference on Ceramic and Glass Technology
CY MAY 31-JUN 05, 2009
CL Vancouver, CANADA
SP Amer Ceram Soc
AB Phase formation mechanisms associated with the vitrification of Savannah River Site (SRS) Sludge Batch 4 (SB4) high level waste surrogate with high iron and aluminum contents were studied by X-ray diffraction (XRD) and infrared spectroscopy (IRS). Two mixtures at 60 and 70 wt% SB4 waste loading were prepared as slurries with a water content of similar to 50 wt% using a waste surrogate and commercially available Frit 503-R4 (Li2O - 8 wt %, B2O3 - 16 wt %, SiO2 - 76 wt %). The mixtures were air-dried at a temperature of 115 degrees C and heat-treated at 500, 700, 900, 1000, 1100, 1200, and 1300 degrees C for 1 hr at each temperature. IR spectra and XRD patterns of the products heat-treated at each temperature were recorded. In both the mixtures phase formation reactions started at low temperatures and yielded intermediate phases (sodalite, pyroxene-type, nepheline), and reactions were mostly completed within the temperature range between 1000 and 1100 degrees C. The glassy materials prepared at 1200 degrees C were composed of vitreous phase and magnetite/trevorite type spinel. The materials with 60 wt.% waste loading prepared at 1300 and 1400 degrees C had the same phase composition whereas at 70 wt.% waste loading, nepheline phase was also detected resulting from crystallization from the melt.
C1 [Stefanovsky, O. I.; Stefanovsky, S. V.; Suntsov, D. Y.] SIA Radon, Moscow, Russia.
[Akatov, A. A.] Inst Technol, St Petersburg, Russia.
[Marra, J. C.] Savannah River Natl Lab, Aiken, SC 29803 USA.
RP Stefanovsky, OI (reprint author), SIA Radon, Moscow, Russia.
RI Akatov, Andrey/H-5893-2016
OI Akatov, Andrey/0000-0002-1453-5837
NR 12
TC 0
Z9 0
U1 0
U2 0
PU AMER CERAMIC SOC
PI WESTERVILLE
PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA
SN 1042-1122
BN 978-0-470-90547-0
J9 CERAM TRANS
PY 2010
VL 217
BP 25
EP +
PG 2
WC Materials Science, Ceramics; Materials Science, Multidisciplinary
SC Materials Science
GA BTL77
UT WOS:000287224900005
ER
PT S
AU Garino, TJ
Nenoff, TM
Krumhansl, JL
Rademacher, DX
AF Garino, Terry J.
Nenoff, Tina M.
Krumhansl, James L.
Rademacher, David X.
BE Boccaccini, A
Marra, J
Dogan, F
Lin, HT
Watanabe, T
TI DEVELOPMENT OF WASTE FORMS FOR RADIOACTIVE IODINE
SO CERAMICS FOR ENVIRONMENTAL AND ENERGY APPLICATIONS
SE Ceramic Transactions
LA English
DT Proceedings Paper
CT 8th Pacific Rim Conference on Ceramic and Glass Technology
CY MAY 31-JUN 05, 2009
CL Vancouver, CANADA
SP Amer Ceram Soc
ID SYSTEM
AB Radioactive iodine, (129)I is present in spent nuclear fuel and is of particular concern due to its extremely long half-life and its effects on human health. In the spent fuel reprocessing scheme under consideration, the iodine is released in gaseous form and collected using Ag-loaded zeolites, to form AgI either directly in the zeolite or with subsequent reaction with silver. We have investigated the use of low temperature-sintering glass powders mixed with either AgI or AgI-zeolite to produce a stable waste form that can be processed at 500 degrees C, where AgI volatility is low. These mixtures can contain up to 20 wt% crushed AgI-zeolite and up to 50 wt% AgI. Crystallization of the BiZnB-oxide glass results in the encapsulation of the AgI, retaining it as a separate phase. The AgI-glass mixture was found to have the highest Iodine leach resistance in these initial studies.
C1 [Garino, Terry J.; Nenoff, Tina M.; Krumhansl, James L.; Rademacher, David X.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Garino, TJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
NR 13
TC 2
Z9 2
U1 1
U2 3
PU AMER CERAMIC SOC
PI WESTERVILLE
PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA
SN 1042-1122
BN 978-0-470-90547-0
J9 CERAM TRANS
PY 2010
VL 217
BP 35
EP 42
PG 8
WC Materials Science, Ceramics; Materials Science, Multidisciplinary
SC Materials Science
GA BTL77
UT WOS:000287224900006
ER
PT S
AU Datye, A
Wu, KH
Gomes, G
Kumari, L
Li, WZ
Lin, HT
AF Datye, Amit
Wu, Kuang-Hsi
Gomes, George
Kumari, Latha
Li, Wenzhi
Lin, Hua-Tay
BE Boccaccini, A
Marra, J
Dogan, F
Lin, HT
Watanabe, T
TI DIRECT IN-SITU GROWTH OF MULTIWALLED CARBON NANOTUBES ON SILICON CARBIDE
PARTICLES AS A PRECURSOR FOR FABRICATING SILICON CARBIDE-CARBON NANOTUBE
COMPOSITES
SO CERAMICS FOR ENVIRONMENTAL AND ENERGY APPLICATIONS
SE Ceramic Transactions
LA English
DT Proceedings Paper
CT 8th Pacific Rim Conference on Ceramic and Glass Technology
CY MAY 31-JUN 05, 2009
CL Vancouver, CANADA
SP Amer Ceram Soc
ID PURIFICATION; OPPORTUNITIES; TEMPERATURE
AB Carbon Nanotubes (CNTs) are 100 stronger than steel with only 1/6 of its weight and are ideal reinforcing fibers for nanocomposites. CNT has a thermal conductivity of 4,000 W/m-K, which is twice that of diamond the best conductor on earth. CNTs can be either semi-conductor or metallic conductor, depending of its chirality. These remarkable properties enable CNTs to have enormous potential for advanced material applications, such as nanocomposites and in nanoelectronics. The application of CNTs on nanocomposites has been greatly hindered by two main factors the interface bonding between the carbon nanotubes and the matrix material, and the difficulty in getting a uniform dispersion of carbon nanotubes in the matrix.
In the following research we present a new method of accomplishing uniform CNT distributions in a Silicon Carbide (SiC) matrix by direct in-situ growth of multiwalled nanotubes (MWNTs) on the SiC particles. This method ensures a more uniform dispersion of CNTs in the matrix than the traditional ex-situ CNT mixing methods. The other advantage of this method is that most of the CNTs grown are individual CNTs and not in the form of bundles.
C1 [Datye, Amit; Wu, Kuang-Hsi; Gomes, George] Florida Int Univ, Miami, FL 33174 USA.
[Kumari, Latha; Li, Wenzhi] Florida Int Univ, Dept Phys, Miami, FL 33199 USA.
[Lin, Hua-Tay] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Datye, A (reprint author), Florida Int Univ, Miami, FL 33174 USA.
OI Kumari, Latha/0000-0001-8820-6043
FU Office of Naval Research (ONR) [N000140610131]; Air Force Office of
Scientific Research (AFOSR); Small Business Technology Transfer (STTR)
[FA9550-05-C-0126, FA9550-06-C-0136]; NSF [DMR-0548061]
FX The authors would like acknowledge the support from the Office of Naval
Research (ONR) Grant Number # N000140610131 and Dr. I. Perez of ONR for
his support. L. Kumari, W.Z. Li acknowledge the support from Air Force
Office of Scientific Research (AFOSR) Small Business Technology Transfer
(STTR) Funding (Contract Numbers: FA9550-05-C-0126 for Phase I and
FA9550-06-C-0136 for Phase II). L.Kumari and W. Z. Li acknowledge the
support from NSF under grant DMR-0548061.
NR 36
TC 0
Z9 0
U1 0
U2 2
PU AMER CERAMIC SOC
PI WESTERVILLE
PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA
SN 1042-1122
BN 978-0-470-90547-0
J9 CERAM TRANS
PY 2010
VL 217
BP 117
EP +
PG 3
WC Materials Science, Ceramics; Materials Science, Multidisciplinary
SC Materials Science
GA BTL77
UT WOS:000287224900014
ER
PT S
AU Feinroth, H
Ales, M
Barringer, E
Kohse, G
Carpenter, D
Jaramillo, R
AF Feinroth, Herbert
Ales, Matthew
Barringer, Eric
Kohse, Gordon
Carpenter, David
Jaramillo, Roger
BE Katoh, Y
Cozzi, A
TI MECHANICAL STRENGTH OF CTP TRIPLEX SIC FUEL CLAD TUBES AFTER IRRADIATION
IN MIT RESEARCH REACTOR UNDER PWR COOLANT CONDITIONS
SO CERAMICS IN NUCLEAR APPLICATIONS
SE Ceramic Engineering and Science Proceedings
LA English
DT Proceedings Paper
CT 33rd International Conference on Advanced Ceramics and Composites
CY JAN 18-23, 2009
CL Daytona Beach, FL
AB An experiment was conducted in the MIT Research Reactor (MITR) to irradiate triplex silicon carbide fuel cladding tubes under typical Pressurized Water Reactor conditions. Measurements were made to determine the impact of exposure on strength and swelling. The SiC clad tubes were fabricated by Ceramic Tubular Products (CTP) with dimensions typical of 15 x 15 commercial PWR reactor fuel. The triplex tubes contain 3 layers, an inner monolithic SiC layer to maintain hermeticity, a central SiC/SiC composite layer to provide a graceful failure mode in the event of an accident, and an outer SiC environmental barrier layer. Clad tubes were exposed to 300 degrees C pressurized water containing boric acid, lithium hydroxide, and hydrogen overpressure, typical of PWRs. Thirty nine (39) specimens of various types were exposed to coolant, some within the neutron flux region and some outside the neutron flux region. Twenty seven (27) were removed for examination and test after 4 months exposure. Following examination, twenty specimens were reinserted for additional exposure, along with 19 new specimens. The 4 month specimens were weighed and measured at MIT, and some were shipped to Oak Ridge National Laboratory (ORNL) where they were mechanically tested for hoop strength using a polyurethane plug test apparatus. Results were compared with the pre-irradiation strength and dimensions. Some specimens retained their original strength after exposure, others with a less homogeneous monolith, lost strength.
C1 [Feinroth, Herbert; Ales, Matthew; Barringer, Eric] Ceram Tubular Prod LLC, Rockville, MD USA.
[Kohse, Gordon; Carpenter, David] MIT, Cambridge, MD USA.
[Jaramillo, Roger] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Feinroth, H (reprint author), Ceram Tubular Prod LLC, Rockville, MD USA.
NR 3
TC 1
Z9 1
U1 0
U2 7
PU AMER CERAMIC SOC
PI WESTERVILLE
PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA
SN 0196-6219
BN 978-0-470-45760-3
J9 CERAM ENG SCI PROC
PY 2010
VL 30
IS 10
BP 47
EP +
PG 2
WC Materials Science, Ceramics
SC Materials Science
GA BQI77
UT WOS:000281128600004
ER
PT S
AU Kondo, S
Katoh, Y
Kim, JW
Snead, LL
AF Kondo, S.
Katoh, Y.
Kim, J. W.
Snead, L. L.
BE Katoh, Y
Cozzi, A
TI VALIDATION OF RING-ON-RING FLEXURAL TEST FOR NUCLEAR CERAMICS USING
MINIATURIZED SPECIMENS
SO CERAMICS IN NUCLEAR APPLICATIONS
SE Ceramic Engineering and Science Proceedings
LA English
DT Proceedings Paper
CT 33rd International Conference on Advanced Ceramics and Composites
CY JAN 18-23, 2009
CL Daytona Beach, FL
AB For the purpose of evaluating fracture strength of the inner pyrocarbon (IPyC) layer of TRISO fuel particles, a miniature disc equibiaxial flexural test technique was developed. It was applied to nuclear graphite specimens in a variety of combination of sample thickness and loading ring diameter to investigate the influences on the stress uniformity within the loading ring. Although similar and relatively high Weibull modulus were observed for all conditions (m approximate to 20), the significant stress concentration associated with the large deflection was observed at the loading location for thinner specimens (t<0.2mm). However, the true local fracture stress was successfully estimated from the measured fracture load using finite element analysis. The method for estimating true local fracture. stress appear reasonable for evaluating the fracture strength of dense poly-crystalline graphite, and can be used for determination of the statistical parameters for fracture stress of graphite and pyrocarbon.
C1 [Kondo, S.; Katoh, Y.; Kim, J. W.; Snead, L. L.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Kondo, S (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
OI Katoh, Yutai/0000-0001-9494-5862
NR 12
TC 1
Z9 1
U1 0
U2 5
PU AMER CERAMIC SOC
PI WESTERVILLE
PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA
SN 0196-6219
BN 978-0-470-45760-3
J9 CERAM ENG SCI PROC
PY 2010
VL 30
IS 10
BP 83
EP 92
PG 10
WC Materials Science, Ceramics
SC Materials Science
GA BQI77
UT WOS:000281128600008
ER
PT S
AU Byun, TS
Kim, JW
Hunn, JD
Miller, JH
Snead, LL
AF Byun, Thak Sang
Kim, Jin Weon
Hunn, John D.
Miller, Jim H.
Snead, Lance L.
BE Katoh, Y
Cozzi, A
TI FRACTURE PROPERTIES OF SiC LAYER IN TRISO-COATED FUEL PARTICLES
SO CERAMICS IN NUCLEAR APPLICATIONS
SE Ceramic Engineering and Science Proceedings
LA English
DT Proceedings Paper
CT 33rd International Conference on Advanced Ceramics and Composites
CY JAN 18-23, 2009
CL Daytona Beach, FL
ID STRENGTH; PERFORMANCE
AB The fracture properties of coated SiC layers and their relationship with microstructure and processing condition have been investigated. A crush testing method for hemispherical shell specimens was developed based on the results of finite element (FE) analysis on stress distribution and applied to the evaluation of fracture strength for the chemical vapor deposited (CVD) SiC layers of tri-isotropic (TRISO) fuel particles. A blanket material was used in the crush tests as the FE analysis confirmed that a relatively soft metal (brass foil) inserted between the specimen's convex surface and plunger tip produced a highly uniform stress under the contact area. Nine sets of hemispherical shell specimens were prepared from different versions of coated fuel particles, which include several relevant lots of coated fuel particles: AGR (advanced gas-cooled reactor) fuels, a German reference fuel, and other development fuels available at Oak Ridge National Laboratory. The coatings display variations in grain size and density, which originated from different conditions in coating processes. At least 30 specimens were tested at room temperature for each material and the fracture stress data were analyzed using Weibull statistics. The local fracture stress calculated was converted to the fracture stress for the whole inner surface area of each particle. Mean fracture stress varied with test material in the range of 330-650 MPa, however, could not be clearly connected to the microstructural characteristics.
C1 [Byun, Thak Sang; Hunn, John D.; Miller, Jim H.; Snead, Lance L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Byun, TS (reprint author), Oak Ridge Natl Lab, POB 2008,MS 6151, Oak Ridge, TN 37831 USA.
NR 17
TC 0
Z9 0
U1 1
U2 5
PU AMER CERAMIC SOC
PI WESTERVILLE
PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA
SN 0196-6219
BN 978-0-470-45760-3
J9 CERAM ENG SCI PROC
PY 2010
VL 30
IS 10
BP 137
EP 147
PG 11
WC Materials Science, Ceramics
SC Materials Science
GA BQI77
UT WOS:000281128600012
ER
PT S
AU Cozzi, AD
Hansen, EK
AF Cozzi, A. D.
Hansen, E. K.
BE Katoh, Y
Cozzi, A
TI DEVELOPMENT AND TESTING OF A CEMENT WASTE FORM FOR TRU EFFLUENT FROM THE
SAVANNAH RIVER SITE MIXED OXIDE FUEL FABRICATION FACILITY
SO CERAMICS IN NUCLEAR APPLICATIONS
SE Ceramic Engineering and Science Proceedings
LA English
DT Proceedings Paper
CT 33rd International Conference on Advanced Ceramics and Composites
CY JAN 18-23, 2009
CL Daytona Beach, FL
AB The Savannah River Site Mixed Oxide Fuel Fabrication Facility will generate an effluent stream that consists of small quantities of americium in a nitric acid solution. The Waste Solidification Building is designed to solidify this and other effluent streams from the process.
A cementitious waste form was developed that will solidify neutralized TRU effluent and produce a waste form that will meet the criteria for the Waste Isolation Pilot Plant.
C1 [Cozzi, A. D.; Hansen, E. K.] Savannah River Natl Lab, Aiken, SC 29803 USA.
RP Cozzi, AD (reprint author), Savannah River Natl Lab, Aiken, SC 29803 USA.
NR 1
TC 0
Z9 0
U1 1
U2 2
PU AMER CERAMIC SOC
PI WESTERVILLE
PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA
SN 0196-6219
BN 978-0-470-45760-3
J9 CERAM ENG SCI PROC
PY 2010
VL 30
IS 10
BP 175
EP 184
PG 10
WC Materials Science, Ceramics
SC Materials Science
GA BQI77
UT WOS:000281128600015
ER
PT S
AU Fox, KM
Peeler, DK
Edwards, TB
AF Fox, Kevin M.
Peeler, David K.
Edwards, Thomas B.
BE Katoh, Y
Cozzi, A
TI FRIT OPTIMIZATION FOR SLUDGE BATCH PROCESSING AT THE DEFENSE WASTE
PROCESSING FACILITY
SO CERAMICS IN NUCLEAR APPLICATIONS
SE Ceramic Engineering and Science Proceedings
LA English
DT Proceedings Paper
CT 33rd International Conference on Advanced Ceramics and Composites
CY JAN 18-23, 2009
CL Daytona Beach, FL
AB The Savannah River National Laboratory (SRNL) Frit Development Team recommended that the Defense Waste Processing Facility (DWPF) utilize Frit 418 for initial processing of high level waste (HLW) Sludge Batch 5 (SB5). The extended SB5 preparation time and desire to avoid a DWPF outage have necessitated the use of a frit that is already included on the DWPF procurement specification. Frit 418 has been used previously in vitrification of Sludge Batch 3 and was the transitional frit to Sludge Batch 4. Paper study assessments predict that Frit 418 will form an acceptable glass when combined with SB5 over a range of waste loadings (WLs), typically 30-41 wt% based on nominal projected SB5 compositions. Frit 418 has a relatively high degree of robustness with regard to potential variation in the projected SB5 composition, particularly when the Na(2)O concentration is varied. Frit 418 has not been designed to provide an optimal melt rate with SB5, but is recommended for initial processing of SB5 until experimental testing to optimizes frit composition for melt rate can be completed. Melt rate performance can not be predicted through the paper study assessments and must be determined experimentally.
C1 [Fox, Kevin M.; Peeler, David K.; Edwards, Thomas B.] Savannah River Natl Lab, Aiken, SC 29808 USA.
RP Fox, KM (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA.
NR 3
TC 0
Z9 0
U1 0
U2 3
PU AMER CERAMIC SOC
PI WESTERVILLE
PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA
SN 0196-6219
BN 978-0-470-45760-3
J9 CERAM ENG SCI PROC
PY 2010
VL 30
IS 10
BP 185
EP 192
PG 8
WC Materials Science, Ceramics
SC Materials Science
GA BQI77
UT WOS:000281128600016
ER
PT J
AU Hrma, P
Schweiger, MJ
Humrickhouse, CJ
Moody, JA
Tate, RM
Rainsdon, TT
Tegrotenhuis, NE
Arrigoni, BM
Marcial, J
Rodriguez, CP
Tincher, BH
AF Hrma, Pavel
Schweiger, Michael J.
Humrickhouse, Carissa J.
Moody, J. Adam
Tate, Rachel M.
Rainsdon, Timothy T.
Tegrotenhuis, Nathan E.
Arrigoni, Benjamin M.
Marcial, Jose
Rodriguez, Carmen P.
Tincher, Benjamin H.
TI EFFECT OF GLASS-BATCH MAKEUP ON THE MELTING PROCESS
SO CERAMICS-SILIKATY
LA English
DT Article
DE Glass batch makeup; Glass batch melting; Nuclear waste glass; Glass
foaming
ID LIME SILICATE GLASS; WASTE VITRIFICATION; BOROSILICATE GLASS;
THERMAL-ANALYSIS; PARTICLE-SIZE; HEAT-TRANSFER; EQUILIBRIUM; BEHAVIOR;
LIQUID; IRON
AB The response of a glass batch to heating is determined by the batch makeup and in turn determines the rate of melting. Batches formulated for a high-alumina nuclear waste to he vitrified in an all-electric inciter were heated at a constant temperature-increase rate to determine changes in melting behavior in response to the selection of batch chemicals and silica grain-size as well as the addition of heat-generating reactants. The type of hatch materials and the size of silica grains determine how much, if any, primary foam occurs during melting. Small quartz grains, 5 mu m in size, caused extensive foaming because their major portion dissolved at temperatures <800 degrees C, contributing to the formation of viscous glass-forming melt that trapped evolving batch gases. Primary foam did not occur in batches with larger quartz grains, +/- 75 mu m in size, because their major portion dissolved at temperatures >800 degrees C when batch gases no longer evolved. The exothermal reaction of nitrates with sucrose was ignited at a temperature as low as 160 degrees C and caused a temporary jump in temperature of several hundred degrees. Secondary foam, the source of which is oxygen from redox reactions, occurred in all batches of a limited composition variation involving five oxides, B2O3, CaO, Li2O, MgO, and Na2O. The foam volume at the maximum volume-increase rate was a weak function of temperature and melt basicity. Neither the batch makeup nor the change in glass composition had a significant impact on the dissolution of silica grains. The impacts of primary foam generation on glass homogeneity and the rate of melting in large-scale continuous furnaces have yet to be established via mathematical modeling and melter experiments.
C1 [Hrma, Pavel; Schweiger, Michael J.; Humrickhouse, Carissa J.; Moody, J. Adam; Tate, Rachel M.; Rainsdon, Timothy T.; Tegrotenhuis, Nathan E.; Arrigoni, Benjamin M.; Marcial, Jose; Rodriguez, Carmen P.; Tincher, Benjamin H.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Hrma, P (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM pavel.hrma@pnl.gov
RI Marcial, Jose/I-9627-2016
OI Marcial, Jose/0000-0001-6156-5310
FU U.S. Department of Energy by Battelle [DE-AC05-76RL01830]; U.S.
Department of Energy Office of River Protection
FX Pacific Northwest National Laboratory (PNNL) is operated for the U.S.
Department of Energy by Battelle under Contract DE-AC05-76RL01830. The
authors are grateful to the U.S. Department of Energy Office of River
Protection for financial support. Insightful discussions with Dong-Sang
Kim and Albert Kruger helped the authors deepen their understanding of
experimental results and the melting process in nuclear waste melters.
NR 64
TC 22
Z9 23
U1 1
U2 17
PU INST CHEMICAL TECHNOLOGY, DEPT GLASS CERAMICS
PI PRAGUE
PA TECHNICKA 5, PRAGUE 166 28, CZECH REPUBLIC
SN 0862-5468
J9 CERAM-SILIKATY
JI Ceram.-Silik.
PY 2010
VL 54
IS 3
BP 193
EP 211
PG 19
WC Materials Science, Ceramics
SC Materials Science
GA 699RY
UT WOS:000285681700001
ER
PT B
AU Lu, FC
Ralph, J
AF Lu, Fachuang
Ralph, John
BA Sun, RC
BF Sun, RC
TI Lignin
SO CEREAL STRAW AS A RESOURCE FOR SUSTAINABLE BIOMATERIALS AND BIOFUELS:
CHEMISTRY, EXTRACTIVES, LIGNINS, HEMICELLULOSES AND CELLULOSE
LA English
DT Article; Book Chapter
ID WHEAT-STRAW LIGNIN; MILLED WOOD LIGNIN; SIDE-CHAIN CARBONS; ALKALINE
HYDROGEN-PEROXIDE; NUCLEAR-MAGNETIC-RESONANCE; SELECTIVE C-13
ENRICHMENT; FERULATE CROSS-LINKS; BETA-GUAIACYL ETHER; AUTOHYDROLYSIS
BAGASSE LIGNIN; CELLULOLYTIC ENZYME LIGNIN
C1 [Lu, Fachuang] Univ Wisconsin, Dept Biochem, Enzyme Inst, Madison, WI 53726 USA.
Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA.
RP Lu, FC (reprint author), Univ Wisconsin, Dept Biochem, Enzyme Inst, 1710 Univ Ave, Madison, WI 53726 USA.
NR 352
TC 26
Z9 26
U1 0
U2 6
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
BN 978-0-08-093267-5; 978-0-444-53234-3
PY 2010
BP 169
EP 207
DI 10.1016/B978-0-444-53234-3.00006-7
PG 39
WC Energy & Fuels; Materials Science, Paper & Wood
SC Energy & Fuels; Materials Science
GA BEL99
UT WOS:000317290400007
ER
PT S
AU Barabash, RI
Tischler, J
Ice, GE
Barabash, OM
AF Barabash, R. I.
Tischler, J.
Ice, G. E.
Barabash, O. M.
BE Hansen, N
Juul Jensen, D
Nielsen, SF
Poulsen, HF
Ralph, B
TI SMALL SCALE MECHANICAL BEHAVIOR AND INTERFACE STRENGTH IN NI-MO
COMPOSITES FROM 3D X-RAY MICRODIFFRACTION
SO CHALLENGES IN MATERIALS SCIENCE AND POSSIBILITIES IN 3D AND 4D
CHARACTERIZATION TECHNIQUES
SE Riso International Symposium on Material Science
LA English
DT Proceedings Paper
CT 31st Riso International Symposium on Materials Science
CY SEP 06-10, 2010
CL Roskilde, DENMARK
SP Mat Res Div, Civilingenior Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Hojgaards Fond, Otto Monsteds Fond
ID MICRON SCALE; DEFORMATION; PLASTICITY; DISLOCATIONS; NIAL/MO
AB Nearly perfect fiber/matrix composite formed from directionally solidified eutectic provide model systems of small-scale and interface behavior. To understand the small-scale mechanical behavior of micropillars/fibers in composite materials, it is critical to develop techniques to characterize their defect distributions at appropriate length scales. Here we describe a new characterization technique appropriate for these samples, based on polychromatic and scanned monochromatic microdiffraction method. These techniques exploit small (similar to 100nm) beams that are now being available. These small penetrating beams can be used to probe very small volumes of materials to determine local strain gradients and defect states. We show how micro focused x-ray beams can be used to characterize the buried interface properties and strain gradient distributions in the as grown directionally solidified Ni-Mo composite.
C1 [Barabash, R. I.; Tischler, J.; Ice, G. E.; Barabash, O. M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Barabash, R. I.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Tischler, J.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Barabash, RI (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
NR 29
TC 0
Z9 0
U1 0
U2 0
PU RISO NATL LABORATORY
PI ROSKILDE
PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK
SN 0907-0079
BN 978-87-550-3833-2
J9 RISO MAT SCI
PY 2010
BP 1
EP 9
PG 9
WC Materials Science, Characterization & Testing
SC Materials Science
GA BE3NM
UT WOS:000371003400001
ER
PT S
AU Clausen, B
Brown, DW
Tome, CN
Balogh, L
Vogel, SC
AF Clausen, Bjorn
Brown, Donald W.
Tome, Carlos N.
Balogh, Levente
Vogel, Sven C.
BE Hansen, N
Juul Jensen, D
Nielsen, SF
Poulsen, HF
Ralph, B
TI ENGINEERING RELATED NEUTRON DIFFRACTION MEASUREMENTS PROBING STRAINS,
TEXTURE AND MICROSTRUCTURE
SO CHALLENGES IN MATERIALS SCIENCE AND POSSIBILITIES IN 3D AND 4D
CHARACTERIZATION TECHNIQUES
SE Riso International Symposium on Material Science
LA English
DT Proceedings Paper
CT 31st Riso International Symposium on Materials Science
CY SEP 06-10, 2010
CL Roskilde, DENMARK
SP Mat Res Div, Civilingenior Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Hojgaards Fond, Otto Monsteds Fond
ID METAL-MATRIX COMPOSITES; LINE-PROFILE ANALYSIS; IN-SITU;
RESIDUAL-STRESSES; STAINLESS-STEEL; PLASTIC-DEFORMATION; POLE FIGURES;
INTERGRANULAR STRAINS; CONSTITUTIVE LAW; LATTICE STRAINS
AB Neutron diffraction has been used for engineering applications for nearly three decades. The basis of the technique is powder diffraction following Bragg's Law. The measured diffraction patterns provide information about internal strains, texture and microstructure, which can be deduced from the peak positions, peak intensities, and peak widths, respectively. Most structural materials are anisotropic on the grain level and thus the effects of intergranular strains must be considered, and combining the neutron diffraction measurements with polycrystal deformation modeling has proven invaluable in determining the overall stress and strain values of interest in designing and dimensioning engineering components. Furthermore, the combined use of diffraction measurements and polycrystal deformation modeling has provided a unique tool for elucidating basic material properties, such as critical resolved shear stresses for the active deformation modes and their evolution as a function of applied deformation.
C1 [Clausen, Bjorn; Vogel, Sven C.] Los Alamos Natl Lab, LANSCE LC, POB 1663, Los Alamos, NM 87545 USA.
[Brown, Donald W.; Tome, Carlos N.; Balogh, Levente] Los Alamos Natl Lab, MST 8, POB 1663, Los Alamos, NM 87545 USA.
RP Clausen, B (reprint author), Los Alamos Natl Lab, LANSCE LC, POB 1663, Los Alamos, NM 87545 USA.
RI Balogh, Levente/S-1238-2016
NR 94
TC 0
Z9 0
U1 0
U2 0
PU RISO NATL LABORATORY
PI ROSKILDE
PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK
SN 0907-0079
BN 978-87-550-3833-2
J9 RISO MAT SCI
PY 2010
BP 11
EP 29
PG 19
WC Materials Science, Characterization & Testing
SC Materials Science
GA BE3NM
UT WOS:000371003400002
ER
PT S
AU Lienert, U
Brandes, MC
Bernier, JV
Mills, MJ
Miller, MP
Li, SF
Hefferan, CM
Lind, J
Suter, RM
AF Lienert, U.
Brandes, M. C.
Bernier, J. V.
Mills, M. J.
Miller, M. P.
Li, S. F.
Hefferan, C. M.
Lind, J.
Suter, R. M.
BE Hansen, N
Juul Jensen, D
Nielsen, SF
Poulsen, HF
Ralph, B
TI 3DXRD AT THE ADVANCED PHOTON SOURCE: ORIENTATION MAPPING AND DEFORMATION
STUDIES
SO CHALLENGES IN MATERIALS SCIENCE AND POSSIBILITIES IN 3D AND 4D
CHARACTERIZATION TECHNIQUES
SE Riso International Symposium on Material Science
LA English
DT Proceedings Paper
CT 31st Riso International Symposium on Materials Science
CY SEP 06-10, 2010
CL Roskilde, DENMARK
SP Mat Res Div, Civilingenior Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Hojgaards Fond, Otto Monsteds Fond
ID X-RAY OPTICS; REFRACTIVE LENSES; DIFFRACTION; TITANIUM; STRAINS
AB The high-energy diffraction microscopy program at the 1-ID beamline of the Advanced Photon Source is based on the 3DXRD diffraction technique. Essential developments include a near field forward modeling algorithm, far-field high-resolution reciprocal space mapping, continuous tensile deformation capability, and combination with post-mortem electron microscopy. The beamline instrumentation is outlined and the status of the near- and far-field techniques is illustrated by selected case studies. The potential of the near-field mapping technique to investigate orientation gradients in deformed metals is discussed, and recent experimental results are presented on Ni and Al. The plastic deformation of a Ti-7A1 alloy is investigated by a combination of far-field diffraction and electron microscopy. Two material states of distinct dislocation microstructures are studied during continuous tensile deformation up to about 2% applied strain. Stress tensors of individual grains are evaluated and discussed in view to yield surface topology. The dislocation structures are investigated by high-resolution reciprocal space mapping and electron microscopy.
C1 [Lienert, U.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Brandes, M. C.; Mills, M. J.] Ohio State Univ, Columbus, OH 43210 USA.
[Bernier, J. V.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Miller, M. P.] Cornell Univ, Ithaca, NY 14853 USA.
[Li, S. F.; Hefferan, C. M.; Lind, J.; Suter, R. M.] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA.
RP Lienert, U (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RI Suter, Robert/P-2541-2014
OI Suter, Robert/0000-0002-0651-0437
NR 21
TC 0
Z9 0
U1 0
U2 0
PU RISO NATL LABORATORY
PI ROSKILDE
PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK
SN 0907-0079
BN 978-87-550-3833-2
J9 RISO MAT SCI
PY 2010
BP 59
EP 77
PG 19
WC Materials Science, Characterization & Testing
SC Materials Science
GA BE3NM
UT WOS:000371003400005
ER
PT S
AU Pantleon, W
Wejdemann, C
Jakobsen, B
Lienert, U
Poulsen, HF
AF Pantleon, W.
Wejdemann, C.
Jakobsen, B.
Lienert, U.
Poulsen, H. F.
BE Hansen, N
Juul Jensen, D
Nielsen, SF
Poulsen, HF
Ralph, B
TI ADVANCES IN CHARACTERIZATION OF DEFORMATION STRUCTURES BY HIGH
RESOLUTION RECIPROCAL SPACE MAPPING
SO CHALLENGES IN MATERIALS SCIENCE AND POSSIBILITIES IN 3D AND 4D
CHARACTERIZATION TECHNIQUES
SE Riso International Symposium on Material Science
LA English
DT Proceedings Paper
CT 31st Riso International Symposium on Materials Science
CY SEP 06-10, 2010
CL Roskilde, DENMARK
SP Mat Res Div, Civilingenior Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Hojgaards Fond, Otto Monsteds Fond
ID COPPER SINGLE-CRYSTALS; X-RAY-DIFFRACTION; RANGE INTERNAL-STRESSES;
DISLOCATION ARRANGEMENT; DEFORMED COPPER; INDIVIDUAL GRAINS; CELL
STRUCTURE; STRAIN PATH; TENSION; MICROSTRUCTURE
AB With high angular resolution three-dimensional X-ray diffraction quantitative information is gained about dislocation structures in individual grains in the bulk of a macroscopic specimen by acquiring reciprocal space maps. In high resolution three-dimensional reciprocal space maps of tensile deformed copper, individual, almost dislocation-free subgrains are identified from high-intensity peaks and distinguished by their unique combination of orientation and elastic strain; dislocation walls manifest themselves as a smooth cloud of lower intensity. The elastic strains show only minor variations within each subgrain, but larger variations between different subgrains. In average, subgrains experience back strains, whereas dislocations walls are strained in forward direction. Based on these observations a revision of the classical composite model is formulated. Additionally, subgrain dynamics is followed in-situ during varying loading conditions by reciprocal space mapping: During uninterrupted tensile deformation, formation of subgrains can be observed concurrently with broadening of Bragg reflections shortly after onset of plastic deformation. The emergence of dislocation-free regions proofs that ordered dislocation structures develop during tensile deformation. With continued tensile deformation, the subgrain structure develops intermittently. When the traction is terminated, stress relaxation occurs and no changes in the number, size and orientation of the subgrains are observed. When changing the tensile direction after pre-deformation in tension, a systematic correlation between the degree of strain path change and the volume fraction of the subgrains is established. In case of perpendicular tensile axes, a reversal of the radial profile asymmetry is observed and explained.
C1 [Pantleon, W.; Wejdemann, C.; Jakobsen, B.; Poulsen, H. F.] Tech Univ Denmark, Mat Res Div, Riso Natl Lab Sustainable Energy, Ctr Fundamental Res Met Struct Dimens 4, Frederiksborgvej 399, DK-4000 Roskilde, Denmark.
[Jakobsen, B.] Roskilde Univ, Dept Sci Syst & Models, Ctr Fundamental Res Glass & Time, DK-4000 Roskilde, Denmark.
[Lienert, U.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Pantleon, W (reprint author), Tech Univ Denmark, Mat Res Div, Riso Natl Lab Sustainable Energy, Ctr Fundamental Res Met Struct Dimens 4, Frederiksborgvej 399, DK-4000 Roskilde, Denmark.
RI Pantleon, Wolfgang/L-9657-2014
OI Pantleon, Wolfgang/0000-0001-6418-6260
NR 36
TC 0
Z9 0
U1 1
U2 1
PU RISO NATL LABORATORY
PI ROSKILDE
PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK
SN 0907-0079
BN 978-87-550-3833-2
J9 RISO MAT SCI
PY 2010
BP 79
EP 100
PG 22
WC Materials Science, Characterization & Testing
SC Materials Science
GA BE3NM
UT WOS:000371003400006
ER
PT S
AU Bernier, JV
Barton, NR
Brandes, MC
Lienert, U
Miller, MP
Mills, MJ
AF Bernier, J. V.
Barton, N. R.
Brandes, M. C.
Lienert, U.
Miller, M. P.
Mills, M. J.
BE Hansen, N
Juul Jensen, D
Nielsen, SF
Poulsen, HF
Ralph, B
TI EXPLORING CRYSTAL PLASTICITY VIA FAR-FIELD 3DXRD
SO CHALLENGES IN MATERIALS SCIENCE AND POSSIBILITIES IN 3D AND 4D
CHARACTERIZATION TECHNIQUES
SE Riso International Symposium on Material Science
LA English
DT Proceedings Paper
CT 31st Riso International Symposium on Materials Science
CY SEP 06-10, 2010
CL Roskilde, DENMARK
SP Mat Res Div, Civilingenior Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Hojgaards Fond, Otto Monsteds Fond
ID INDIVIDUAL GRAINS; STRAIN TENSOR; SINGLE-GRAIN; MICROSTRUCTURE;
POLYCRYSTALS; POWDERS
AB A specimen of Ti-7%A1 alloy was subject to tensile deformation in situ at APS 1-ID-C. Within it, a neighborhood containing 20 complete grains was indexed in the annealed state and subsequently tracked at several applied stresses during in situ loading, both preceding and following the macroscopic yield stress. The stress states of each grain were observed to reorient significantly post yield despite the fact that their average remained close to the applied uniaxial stress. To aid in interpreting the experimental results, a virtual realization of the neighborhood was created using a finite element mesh. Each individual grain was represented by similar to 5000 hexahedral elements. Ensemble averaged resolved shear stresses were calculated over the neighborhood from both the experimental and simulated data. Despite the lack of intra-granular resolution in the experiment and with the aid of the simulated data the resolved shear stresses projected on several slip system families are shown to statistically capture the associated critical resolved shear stresses. This important result implies that the far-field 3DXRD method may be applied to the study of specific of slip system activity in embedded neighborhoods of grains subject to thermomechanical processing in situ.
C1 [Bernier, J. V.; Barton, N. R.] Lawrence Livermore Natl Lab, Engn Technol Div, Livermore, CA USA.
[Brandes, M. C.] US Naval Res Lab, Washington, DC USA.
[Lienert, U.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Miller, M. P.] Cornell Univ, Sibley Sch Mech & Aerosp Engn, Ithaca, NY 14853 USA.
[Mills, M. J.] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA.
RP Bernier, JV (reprint author), Lawrence Livermore Natl Lab, Engn Technol Div, Livermore, CA USA.
NR 19
TC 0
Z9 0
U1 0
U2 0
PU RISO NATL LABORATORY
PI ROSKILDE
PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK
SN 0907-0079
BN 978-87-550-3833-2
J9 RISO MAT SCI
PY 2010
BP 251
EP 259
PG 9
WC Materials Science, Characterization & Testing
SC Materials Science
GA BE3NM
UT WOS:000371003400017
ER
PT S
AU De Carlo, F
Xiao, XH
Fusseis, F
Chawla, N
AF De Carlo, Francesco
Xiao, Xianghui
Fusseis, Florian
Chawla, Nikhilesh
BE Hansen, N
Juul Jensen, D
Nielsen, SF
Poulsen, HF
Ralph, B
TI IN-SITU DYNAMICS AT THE ADVANCED PHOTON SOURCE X-RAY IMAGING BEAMLINES
SO CHALLENGES IN MATERIALS SCIENCE AND POSSIBILITIES IN 3D AND 4D
CHARACTERIZATION TECHNIQUES
SE Riso International Symposium on Material Science
LA English
DT Proceedings Paper
CT 31st Riso International Symposium on Materials Science
CY SEP 06-10, 2010
CL Roskilde, DENMARK
SP Mat Res Div, Civilingenior Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Hojgaards Fond, Otto Monsteds Fond
ID PORE PRESSURE EXCESS; DEHYDRATING SYSTEM; GYPSUM; MAINTENANCE;
GENERATION; KINETICS
AB X-ray imaging at a synchrotron facility allows for fast imaging with exposure times ranging from hundreds of milliseconds to 150 ps (Fezzaa and Wang 2008) and for two- and three-dimensional spatial resolution ranging from a few microns to 30 nm (Shen, Lee, Fezzaa, Chu, De Carlo, Jemian, Ilaysky, Erdmann and Long 2007).
In this paper we present an overview of instrumentation available at the x-ray imaging beamlines of the Advanced Photon Source and the materials science applications where the high-resolution, fast-imaging systems were instrumental in extracting in situ four-dimensional dynamic information, focusing on the study of deformation of SiC particle-reinforced Al alloy matrix composites, and on the formation of secondary porosity in natural rock samples. We will also present some preliminary results from the ultrafast tomography systems installed at beamline 2-BM of the Advanced Photon Source at Argonne National Laboratory.
C1 [De Carlo, Francesco; Xiao, Xianghui] Argonne Natl Lab, Adv Photon Source, Xray Imaging Grp, Argonne, IL 60439 USA.
[Fusseis, Florian] Univ Western Australia, Sch Earth & Environm, Nedlands, WA 6009, Australia.
[Chawla, Nikhilesh] Arizona State Univ, Sch Mech Aerosp Chem & Mat Engn, Tempe, AZ 85287 USA.
RP De Carlo, F (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Imaging Grp, Argonne, IL 60439 USA.
NR 17
TC 0
Z9 0
U1 0
U2 1
PU RISO NATL LABORATORY
PI ROSKILDE
PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK
SN 0907-0079
BN 978-87-550-3833-2
J9 RISO MAT SCI
PY 2010
BP 261
EP 272
PG 12
WC Materials Science, Characterization & Testing
SC Materials Science
GA BE3NM
UT WOS:000371003400018
ER
PT S
AU Ice, GE
Pang, JWL
AF Ice, Gene E.
Pang, Judy W. L.
BE Hansen, N
Juul Jensen, D
Nielsen, SF
Poulsen, HF
Ralph, B
TI POLYCHROMATIC X-RAY MICRODIFFRACTION STUDIES OF 3D ELASTIC AND PLASTIC
STRAIN TENSORS
SO CHALLENGES IN MATERIALS SCIENCE AND POSSIBILITIES IN 3D AND 4D
CHARACTERIZATION TECHNIQUES
SE Riso International Symposium on Material Science
LA English
DT Proceedings Paper
CT 31st Riso International Symposium on Materials Science
CY SEP 06-10, 2010
CL Roskilde, DENMARK
SP Mat Res Div, Civilingenior Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Hojgaards Fond, Otto Monsteds Fond
ID INDUCED SURFACE-DIFFUSION; FINITE-ELEMENT-ANALYSIS; GRADIENT PLASTICITY;
SPONTANEOUS GROWTH; TIN WHISKERS; ELECTROMIGRATION; MICROSCOPY;
EVOLUTION; CRYSTALS; VOIDS
AB Polychromatic microdiffraction is a powerful nondestructive method for 3D mapping of the local elastic and plastic strain tensors of materials. New instrumentation makes it possible to resolve neighbouring volumes on the order of 0.01 cubic microns and to simultaneously measure local elastic distortions of the unit cell with tens of femtometers resolution and the presence of unpaired dislocations with sensitivity approaching single dislocations. These capabilities offer important opportunities to study the influence of plastic and elastic strain inhomogeneities on three-dimensional (3D) materials behaviour and evolution. Here we present examples of ongoing studies, which exploit these unique capabilities.
C1 [Ice, Gene E.; Pang, Judy W. L.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Ice, GE (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
NR 29
TC 0
Z9 0
U1 0
U2 0
PU RISO NATL LABORATORY
PI ROSKILDE
PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK
SN 0907-0079
BN 978-87-550-3833-2
J9 RISO MAT SCI
PY 2010
BP 279
EP 284
PG 6
WC Materials Science, Characterization & Testing
SC Materials Science
GA BE3NM
UT WOS:000371003400020
ER
PT S
AU Kelly, ST
Barron, SC
Dufresne, EM
Fezzaa, K
Weihs, TP
Hufnagel, TC
AF Kelly, Stephen T.
Barron, Sara C.
Dufresne, Eric M.
Fezzaa, Kamel
Weihs, Timothy P.
Hufnagel, Todd C.
BE Hansen, N
Juul Jensen, D
Nielsen, SF
Poulsen, HF
Ralph, B
TI MICROSECOND X-RAY MICRODIFFRACTION AND X-RAY PHASE CONTRAST IMAGING
STUDIES OF IRREVERSIBLE PHASE TRANSFORMATIONS DURING RAPID HEATING
SO CHALLENGES IN MATERIALS SCIENCE AND POSSIBILITIES IN 3D AND 4D
CHARACTERIZATION TECHNIQUES
SE Riso International Symposium on Material Science
LA English
DT Proceedings Paper
CT 31st Riso International Symposium on Materials Science
CY SEP 06-10, 2010
CL Roskilde, DENMARK
SP Mat Res Div, Civilingenior Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Hojgaards Fond, Otto Monsteds Fond
AB We describe two x-ray techniques for studying rapid, irreversible transformations that occur in self-propagating reactions in metallic multilayers. The nature of these reactions requires a combination of both high spatial resolution and excellent temporal resolution, in single-shot experiments. In the first technique, we use x-ray microdiffraction to track the sequence of phase evolution in self-propagating reactions in detail. We use Kirkpatrick-Baez mirrors to focus a high flux pink x-ray beam into a small (< 10 mu m) spot, and produce short (< 75 mu s) exposures using a fast x-ray shutter, recording the x-ray diffraction pattern in transmission through the specimen on a fiber-optic-coupled CCD camera. The second technique combines x-ray phase contrast imaging with x-ray diffraction, proving simultaneous real-space (imaging) and reciprocal-space (diffraction) information about the advancing reaction front. As a particular example, we describe recent experiments on Al-Zr multilayer foils, demonstrating the strengths of each technique and discussing details of the transformation from Al/Zr multilayers to various intermetallic phases.
C1 [Kelly, Stephen T.; Barron, Sara C.; Weihs, Timothy P.; Hufnagel, Todd C.] Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA.
[Dufresne, Eric M.; Fezzaa, Kamel] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Kelly, ST (reprint author), Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA.
RI Hufnagel, Todd/A-3309-2010
OI Hufnagel, Todd/0000-0002-6373-9377
NR 10
TC 0
Z9 0
U1 1
U2 1
PU RISO NATL LABORATORY
PI ROSKILDE
PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK
SN 0907-0079
BN 978-87-550-3833-2
J9 RISO MAT SCI
PY 2010
BP 289
EP 296
PG 8
WC Materials Science, Characterization & Testing
SC Materials Science
GA BE3NM
UT WOS:000371003400022
ER
PT S
AU Lyckegaard, A
Alpers, A
Ludwig, W
Fonda, RW
Margulies, L
Gotz, A
Sorensen, HO
Dey, SR
Poulsen, HF
Lauridsen, EM
AF Lyckegaard, A.
Alpers, A.
Ludwig, W.
Fonda, R. W.
Margulies, L.
Goetz, A.
Sorensen, H. O.
Dey, S. R.
Poulsen, H. F.
Lauridsen, E. M.
BE Hansen, N
Juul Jensen, D
Nielsen, SF
Poulsen, HF
Ralph, B
TI 3D GRAIN RECONSTRUCTION FROM BOXSCAN DATA
SO CHALLENGES IN MATERIALS SCIENCE AND POSSIBILITIES IN 3D AND 4D
CHARACTERIZATION TECHNIQUES
SE Riso International Symposium on Material Science
LA English
DT Proceedings Paper
CT 31st Riso International Symposium on Materials Science
CY SEP 06-10, 2010
CL Roskilde, DENMARK
SP Mat Res Div, Civilingenior Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Hojgaards Fond, Otto Monsteds Fond
ID X-RAY-DIFFRACTION; CONTRAST TOMOGRAPHY; POLYCRYSTALS; BEAM; MAPS
AB A method for reconstructing the 3D shape of a single grain in a polycrystal from far-field diffraction data is presented. The reconstruction is performed using an iterative algorithm, algebraic reconstruction technique (ART), to solve a linear system of equations obtained from data from the Boxscan technique. The Boxscan technique is a 3D X-ray diffraction type scanning technique, which in geometric tomography terms provides 2-dimensional X-rays of the object as data. In this paper, we report on the first experimental 3D grain shape reconstruction based on a beta-titanium sample. By comparing our results to high resolution phase contrast tomography, we find that the average error on the position of the grain boundary in this sample is 2.7 micrometers for a grain radius of 17 micrometers. This result is similar to other current methods.
C1 [Lyckegaard, A.; Alpers, A.; Poulsen, H. F.; Lauridsen, E. M.] Riso DTU, Mat Res Div, Ctr Fundamental Res Met Struct Dimens 4, DK-4000 Roskilde, Denmark.
[Ludwig, W.; Goetz, A.] European Synchrotron Radiat Facil, F-38043 Grenoble, France.
[Fonda, R. W.] Naval Res Lab, Washington, DC 20375 USA.
[Margulies, L.] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA.
[Sorensen, H. O.] Univ Copenhagen, Dept Chem, DK-21000 Copenhagen O, Denmark.
[Dey, S. R.] Ruhr Univ Bochum, Fac Mech Engn, Inst Mat, D-44801 Bochum, Germany.
RP Lyckegaard, A (reprint author), Riso DTU, Mat Res Div, Ctr Fundamental Res Met Struct Dimens 4, DK-4000 Roskilde, Denmark.
NR 15
TC 0
Z9 0
U1 0
U2 0
PU RISO NATL LABORATORY
PI ROSKILDE
PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK
SN 0907-0079
BN 978-87-550-3833-2
J9 RISO MAT SCI
PY 2010
BP 329
EP 336
PG 8
WC Materials Science, Characterization & Testing
SC Materials Science
GA BE3NM
UT WOS:000371003400027
ER
PT S
AU Patterson, BR
DeHoff, RT
Sung, ZW
Sprague, A
Tikare, V
AF Patterson, B. R.
DeHoff, R. T.
Sung, Zhiwei
Sprague, Alan
Tikare, Veena
BE Hansen, N
Juul Jensen, D
Nielsen, SF
Poulsen, HF
Ralph, B
TI TOPOLOGICAL ANALYSIS OF 3D GRAIN GROWTH
SO CHALLENGES IN MATERIALS SCIENCE AND POSSIBILITIES IN 3D AND 4D
CHARACTERIZATION TECHNIQUES
SE Riso International Symposium on Material Science
LA English
DT Proceedings Paper
CT 31st Riso International Symposium on Materials Science
CY SEP 06-10, 2010
CL Roskilde, DENMARK
SP Mat Res Div, Civilingenior Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Hojgaards Fond, Otto Monsteds Fond
ID ALUMINUM
AB Topological and metric characteristics of grain structures have been obtained from 3D Monte Carlo grain growth simulations. These data have been used to determine growth path envelopes describing the evolution of grain volume and face class, as well as computation of the affinities for contact between grains of different numbers of faces. The growth path of normalized grain volume was found to be qualitatively similar to that followed by grain faces, with the initially largest grains and maximum face class maintaining fairly constant values of those parameters. Those characteristics of the initially smaller grains monotonically decreased towards grain disappearance. It was found that the grains with fewest faces have a high affinity for contact with many-faced grains, grains with intermediate numbers of faces have no preferred contact with any other face class and grains with the highest numbers of faces have a strong preference for contact with the fewest -faced grains.
C1 [Patterson, B. R.; DeHoff, R. T.] Univ Florida, Gainesville, FL 32611 USA.
[Sung, Zhiwei; Sprague, Alan] Univ Alabama Birmingham, Birmingham, AL USA.
[Tikare, Veena] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Patterson, BR (reprint author), Univ Florida, Gainesville, FL 32611 USA.
NR 8
TC 0
Z9 0
U1 0
U2 0
PU RISO NATL LABORATORY
PI ROSKILDE
PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK
SN 0907-0079
BN 978-87-550-3833-2
J9 RISO MAT SCI
PY 2010
BP 375
EP 381
PG 7
WC Materials Science, Characterization & Testing
SC Materials Science
GA BE3NM
UT WOS:000371003400033
ER
PT S
AU Wejdemann, C
Lienert, U
Nielsen, HB
Pantleon, W
AF Wejdemann, C.
Lienert, U.
Nielsen, H. B.
Pantleon, W.
BE Hansen, N
Juul Jensen, D
Nielsen, SF
Poulsen, HF
Ralph, B
TI IDENTIFYING INDIVIDUAL SUBGRAINS IN EVOLVING DEFORMATION STRUCTURES BY
HIGH ANGULAR RESOLUTION X-RAY DIFFRACTION
SO CHALLENGES IN MATERIALS SCIENCE AND POSSIBILITIES IN 3D AND 4D
CHARACTERIZATION TECHNIQUES
SE Riso International Symposium on Material Science
LA English
DT Proceedings Paper
CT 31st Riso International Symposium on Materials Science
CY SEP 06-10, 2010
CL Roskilde, DENMARK
SP Mat Res Div, Civilingenior Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Hojgaards Fond, Otto Monsteds Fond
ID REFRACTIVE LENSES; ELASTIC STRAINS; OPTICS; COPPER
AB With high angular resolution X-ray diffraction, reciprocal space maps of selected X-ray reflections from individual grains in the bulk of polycrystalline samples are obtained in situ during tensile deformation. Two different contributions are distinguished in the intensity distributions: sharp peaks of high intensity caused by diffraction from individual subgrains superimposed on a broad smoothly varying intensity distribution caused by diffraction from dislocation walls. A partitioning method using an asymmetric measure of misfit is presented for automated separation of the contributions. The peak contribution is analyzed to give detailed information about the properties of individual subgrains and their evolution with tensile deformation. Additionally, a procedure used for determining the distance of a grain from the surface of the sample along the direction of the X-ray beam is outlined.
C1 [Wejdemann, C.; Pantleon, W.] Tech Univ Denmark, Riso Natl Lab Sustainable Energy, Mat Res Div, Ctr Fundamental Res Met Struct Dimens 4, Frederiksborgvej 399, DK-4000 Roskilde, Denmark.
[Lienert, U.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Nielsen, H. B.] Tech Univ Denmark, Dept Informat & Math Modelling, DK-2800 Lyngby, Denmark.
RP Wejdemann, C (reprint author), Tech Univ Denmark, Riso Natl Lab Sustainable Energy, Mat Res Div, Ctr Fundamental Res Met Struct Dimens 4, Frederiksborgvej 399, DK-4000 Roskilde, Denmark.
RI Pantleon, Wolfgang/L-9657-2014
OI Pantleon, Wolfgang/0000-0001-6418-6260
NR 12
TC 0
Z9 0
U1 0
U2 0
PU RISO NATL LABORATORY
PI ROSKILDE
PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK
SN 0907-0079
BN 978-87-550-3833-2
J9 RISO MAT SCI
PY 2010
BP 477
EP 487
PG 11
WC Materials Science, Characterization & Testing
SC Materials Science
GA BE3NM
UT WOS:000371003400045
ER
PT S
AU Carrigan, RA
AF Carrigan, Richard A., Jr.
BE Dabagov, SB
Palumbo, L
TI NEGATIVE PARTICLE PLANAR AND AXIAL CHANNELING AND CHANNELING COLLIMATION
SO CHARGED AND NEUTRAL PARTICLES CHANNELING PHENOMENA, CHANNELING 2008
SE Science and Culture Series-Physics
LA English
DT Proceedings Paper
CT 51st Workshop of the INFN ELOISATRON Project
CY OCT 25-NOV 01, 2008
CL Ettore Majorana Fdn, Erice, ITALY
SP Ctr Sci Culture
HO Ettore Majorana Fdn
ID ENERGY CHARGED-PARTICLES; MULTIPLE-SCATTERING; BENT CRYSTAL; ATOMIC
STRINGS; ANGULAR-DISTRIBUTIONS; BEAM DEFLECTION; MOTION; GERMANIUM;
ELECTRONS; PROTONS
AB While information exists on high energy negative particle channeling there has been little study of the challenges of negative particle bending and channeling collimation. Partly this is because negative dechanneling lengths are relatively much shorter. Electrons are not particularly useful for investigating negative particle channeling effects because their material interactions are dominated by channeling radiation. Another important factor is that the current central challenge in channeling collimation is the proton-proton Large Hadron Collider (LHC) where both beams are positive. On the other hand in the future the collimation question might reemerge for electron-positron or muon colliders. Dechanneling lengths increase at higher energies so that part of the negative particle experimental challenge diminishes. In the article different approaches to determining negative dechanneling lengths are reviewed. The more complicated case for axial channeling is also discussed. Muon channeling as a tool to investigate dechanneling is also discussed. While it is now possible to study muon channeling it will probably not illuminate the study of negative dechanneling.
C1 [Carrigan, Richard A., Jr.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
RP Carrigan, RA (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; United States
Department of Energy
FX Operated by the Fermi Research Alliance, LLC under Contract No.
DE-AC02-07CH11359 with the United States Department of Energy.
NR 40
TC 2
Z9 2
U1 0
U2 0
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE
SN 0219-1806
BN 978-981-4307-00-0
J9 SCI CULT SER-PHYS
PY 2010
VL 30
BP 129
EP 143
DI 10.1142/9789814307017_0012
PG 15
WC Physics, Multidisciplinary; Physics, Particles & Fields
SC Physics
GA BH0AR
UT WOS:000394477100012
ER
PT S
AU Mokhov, NV
Annala, GE
Apyan, A
Carrigan, RA
Drozhdin, AI
Johnson, TR
Legan, AM
Reilly, RE
Shiltsev, V
Still, DA
Tesarek, RJ
Zagel, J
Peggs, S
Assmann, RW
Previtali, V
Redaelli, S
Scandale, W
Shiraishi, S
Chesnokov, YA
Yazynin, IA
Guidi, V
Prest, M
Ivanov, YM
AF Mokhov, N. V.
Annala, G. E.
Apyan, A.
Carrigan, R. A.
Drozhdin, A. I.
Johnson, T. R.
Legan, A. M.
Reilly, R. E.
Shiltsev, V.
Still, D. A.
Tesarek, R. J.
Zagel, J.
Peggs, S.
Assmann, R. W.
Previtali, V.
Redaelli, S.
Scandale, W.
Shiraishi, S.
Chesnokov, Y. A.
Yazynin, I. A.
Guidi, V.
Prest, M.
Ivanov, Y. M.
BE Dabagov, SB
Palumbo, L
TI CRYSTAL COLLIMATION STUDIES AT THE TEVATRON (T-980)
SO CHARGED AND NEUTRAL PARTICLES CHANNELING PHENOMENA, CHANNELING 2008
SE Science and Culture Series-Physics
LA English
DT Proceedings Paper
CT 51st Workshop of the INFN ELOISATRON Project
CY OCT 25-NOV 01, 2008
CL Ettore Majorana Fdn, Erice, ITALY
SP Ctr Sci Culture
HO Ettore Majorana Fdn
AB Bent-crystal channeling is a technique with a potential to increase beam-halo collimation efficiency in high-energy colliders. First measurements at the Tevatron in 2005 have shown that using a thin silicon crystal to deflect the 1-TeV proton beam halo onto a secondary collimator improves the system performance by reducing the machine impedance, beam losses in the collider detectors and irradiation of the superconducting magnets, all in agreement with simulations. Recent results, obtained with an improved goniometer and enhanced beam diagnostics, are reported here for dedicated beam studies and first full collider stores along with simulation results and plans for substantial enhancement of the T-980 experimental setup.
C1 [Mokhov, N. V.; Annala, G. E.; Apyan, A.; Carrigan, R. A.; Johnson, T. R.; Legan, A. M.; Reilly, R. E.; Shiltsev, V.; Still, D. A.; Tesarek, R. J.; Zagel, J.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Peggs, S.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Assmann, R. W.; Previtali, V.; Redaelli, S.; Scandale, W.] CERN, CH-1211 Geneva, Switzerland.
[Shiraishi, S.] Univ Chicago, Chicago, IL 60637 USA.
[Chesnokov, Y. A.; Yazynin, I. A.] IHEP, RU-142284 Protvino, Moscow Region, Russia.
[Guidi, V.] INFN Ferrara, Ferrara, Italy.
[Prest, M.] INFN Insubria, Insubria, Italy.
[Ivanov, Y. M.] PNPI, RU-188300 Gatchina, Leningrad Regio, Russia.
RP Mokhov, NV (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM mokhov@fnal.gov
FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of
Energy
FX Work supported by Fermi Research Alliance, LLC, under contract No.
DE-AC02-07CH11359 with the U.S. Department of Energy.
NR 4
TC 0
Z9 0
U1 0
U2 0
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE
SN 0219-1806
BN 978-981-4307-00-0
J9 SCI CULT SER-PHYS
PY 2010
VL 30
BP 172
EP 179
DI 10.1142/9789814307017_0015
PG 8
WC Physics, Multidisciplinary; Physics, Particles & Fields
SC Physics
GA BH0AR
UT WOS:000394477100015
ER
PT J
AU Studt, F
Abild-Pedersen, F
Hansen, HA
Man, IC
Rossmeisl, J
Bligaard, T
AF Studt, Felix
Abild-Pedersen, Frank
Hansen, Heine A.
Man, Isabela C.
Rossmeisl, Jan
Bligaard, Thomas
TI Volcano Relation for the Deacon Process over Transition-Metal Oxides
SO CHEMCATCHEM
LA English
DT Article
DE density functional calculations; heterogeneous catalysis; oxidation;
oxides; transition metals
ID HETEROGENEOUS CATALYSIS; HCL OXIDATION; SURFACES; IDENTIFICATION;
HYDROGENATION; MECHANISM; ENERGIES; RUO2
AB We establish an activity relation for the heterogeneous catalytic oxidation of HCI (the Deacon Process) over rutile transition-metal oxide catalysts by combining density functional theory calculations (DFT) with microkinetic modeling. Linear energy relations for the elementary reaction steps are obtained from the OFT calculations and used to establish a one-dimensional descriptor for the catalytic activity. The descriptor employed here is the dissociative chemisorption energy of oxygen. It is found that the commonly employed RuO(2) catalyst is close to optimal, but that there could still be room for improvements. The analysis suggests that oxide surfaces which offer slightly weaker bonding of oxygen should exhibit a superior activity to that of RuO(2).
C1 [Studt, Felix; Abild-Pedersen, Frank; Hansen, Heine A.; Man, Isabela C.; Rossmeisl, Jan; Bligaard, Thomas] Tech Univ Denmark, Ctr Atom Scale Mat Design, Dept Phys, DK-2800 Lyngby, Denmark.
[Studt, Felix; Abild-Pedersen, Frank] Computat Mat Design ApS, DK-2800 Lyngby, Denmark.
[Bligaard, Thomas] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Bligaard, T (reprint author), Tech Univ Denmark, Ctr Atom Scale Mat Design, Dept Phys, DK-2800 Lyngby, Denmark.
EM bligaard@fysik.dtu.dk
RI Rossmeisl, Jan/A-5714-2011; Bligaard, Thomas/A-6161-2011; Man, Isabela
Costinela/C-3981-2012; Hansen, Heine/G-3044-2013; Abild-Pedersen,
Frank/C-3248-2014; Studt, Felix/C-7874-2017
OI Rossmeisl, Jan/0000-0001-7749-6567; Bligaard,
Thomas/0000-0001-9834-9179; Hansen, Heine/0000-0001-7551-9470;
Abild-Pedersen, Frank/0000-0002-1911-074X;
FU Lundbeck Foundation; Danish Notional Research Foundation; Danish
Research Councils (STVF); Danish Center for Scientific Computing
FX Funding from the Lundbeck Foundation, the Danish Notional Research
Foundation, the Danish Research Councils (STVF), and the Danish Center
for Scientific Computing are gratefully acknowledged.
NR 19
TC 34
Z9 34
U1 4
U2 44
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY
SN 1867-3880
J9 CHEMCATCHEM
JI ChemCatChem
PD JAN
PY 2010
VL 2
IS 1
BP 98
EP 102
DI 10.1002/cctc.200900194
PG 5
WC Chemistry, Physical
SC Chemistry
GA 552IR
UT WOS:000274283600013
ER
PT S
AU Bernacki, BE
Phillips, MC
AF Bernacki, Bruce E.
Phillips, Mark C.
BE Fountain III, AW
Gardner, PJ
TI Standoff hyperspectral imaging of explosives residues using broadly
tunable external cavity quantum cascade laser illumination
SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE)
SENSING XI
SE Proceedings of SPIE-The International Society for Optical Engineering
LA English
DT Proceedings Paper
CT Conference on Chemical, Biological, Radiological, Nuclear, and
Explosives (CBRNE) Sensing XI
CY APR 06-08, 2010
CL Orlando, FL
SP SPIE
DE explosives detection; quantum cascade laser; external cavity tunable
laser; hyperspectral imaging
ID SPECTROSCOPY
AB We describe experimental results on the detection of explosives residues with active hyperspectral imaging by illumination of the target surface using an external cavity quantum cascade laser (ECQCL) and imaging using an uncooled microbolometer camera. Explosives have rich absorption features in the molecular fingerprint region that spans 1500 to 500 wavenumbers and is easily probed by the wavelength range of quantum cascade lasers (QCL), which can be fabricated to emit from 3300 to 400 wavenumbers. Our laboratory-built ECQCL consists of a Fabry-Perot laser with anti-reflection coated front facet that is arranged in a Littman-Metcalf configuration. The ECQCL was operated quasi-CW with a 100 kHz repetition rate, 50% duty cycle drive signal and tuning range from 1102.95 to 983.8 wavenumbers. The active hyperspectral imaging technique forms an image hypercube by recording one image for each tuning step of the ECQCL. For the experiments reported here, each wavelength band was 2 wavenumbers wide and 60 bands of image data were acquired in 2 seconds. The resulting hyperspectral image contains the full absorption spectrum produced by the illumination laser at each pixel in the image which can then be used to identify the explosive type and relative quantity using the rich library of spectral identification approaches developed initially in the remote sensing community. These techniques include spectral feature fitting, matched filtering, and mixture tuned matched filtering. Mixtures of materials can be evaluated using linear spectral unmixing approaches and matched filtering or mixture tuned matched filtering. We provide examples of these methods using ENVI, a commercial spectral image processing software package.
C1 [Bernacki, Bruce E.; Phillips, Mark C.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Bernacki, BE (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM bruce.bernacki@pnl.gov
NR 14
TC 16
Z9 16
U1 0
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-8129-0
J9 P SOC PHOTO-OPT INS
PY 2010
VL 7665
AR 76650I
DI 10.1117/12.849543
PG 10
WC Remote Sensing; Optics
SC Remote Sensing; Optics
GA BSS35
UT WOS:000285626600015
ER
PT S
AU Karnowski, TP
Cunningham, MF
Goddard, JS
Cheriyadat, AM
Hornback, DE
Fabris, L
Kerekes, RA
Ziock, KP
Bradley, EC
Chesser, J
Marchant, W
AF Karnowski, Thomas P.
Cunningham, Mark F.
Goddard, James S.
Cheriyadat, Anil M.
Hornback, Donald E.
Fabris, Lorenzo
Kerekes, Ryan A.
Ziock, Klaus-Peter
Bradley, E. Craig
Chesser, J.
Marchant, W.
BE Fountain III, AW
Gardner, PJ
TI Design of Dual-Road Transportable Portal Monitoring System for Visible
Light and Gamma-Ray Imaging
SO CHEMICAL, BIOLOGICAL, RADIOLOGICAL, NUCLEAR, AND EXPLOSIVES (CBRNE)
SENSING XI
SE Proceedings of SPIE-The International Society for Optical Engineering
LA English
DT Proceedings Paper
CT Conference on Chemical, Biological, Radiological, Nuclear, and
Explosives (CBRNE) Sensing XI
CY APR 06-08, 2010
CL Orlando, FL
SP SPIE
DE Radiation monitoring; machine vision
ID LARGE-AREA; PERFORMANCE
AB The use of radiation sensors as portal monitors is increasing due to heightened concerns over the smuggling of fissile material. Transportable systems that can detect significant quantities of fissile material that might be present in vehicular traffic are of particular interest, especially if they can be rapidly deployed to different locations. To serve this application, we have constructed a rapid-deployment portal monitor that uses visible-light and gamma-ray imaging to allow simultaneous monitoring of multiple lanes of traffic from the side of a roadway. The system operation uses machine vision methods on the visible-light images to detect vehicles as they enter and exit the field of view and to measure their position in each frame. The visible-light and gamma-ray cameras are synchronized which allows the gamma-ray imager to harvest gamma-ray data specific to each vehicle, integrating its radiation signature for the entire time that it is in the field of view. Thus our system creates vehicle-specific radiation signatures and avoids source confusion problems that plague non-imaging approaches to the same problem. Our current prototype instrument was designed for measurement of upto five lanes of freeway traffic with a pair of instruments, one on either side of the roadway. Stereoscopic cameras are used with a third "alignment" camera for motion compensation and are mounted on a 50' deployable mast. In this paper we discuss the design considerations for the machine-vision system, the algorithms used for vehicle detection and position estimates, and the overall architecture of the system. We also discuss system calibration for rapid deployment. We conclude with notes on preliminary performance and deployment.
C1 [Karnowski, Thomas P.; Goddard, James S.; Cheriyadat, Anil M.; Hornback, Donald E.; Fabris, Lorenzo; Kerekes, Ryan A.; Ziock, Klaus-Peter; Bradley, E. Craig; Chesser, J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Karnowski, TP (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM karnowskitp@ornl.gov
RI Fabris, Lorenzo/E-4653-2013
OI Fabris, Lorenzo/0000-0001-5605-5615
NR 16
TC 0
Z9 0
U1 1
U2 3
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-8129-0
J9 P SOC PHOTO-OPT INS
PY 2010
VL 7665
AR 76651J
DI 10.1117/12.850191
PG 12
WC Remote Sensing; Optics
SC Remote Sensing; Optics
GA BSS35
UT WOS:000285626600047
ER
PT J
AU Ma, SQ
Zhou, HC
AF Ma, Shengqian
Zhou, Hong-Cai
TI Gas storage in porous metal-organic frameworks for clean energy
applications
SO CHEMICAL COMMUNICATIONS
LA English
DT Review
ID MICROPOROUS COORDINATION POLYMERS; INELASTIC NEUTRON-SCATTERING;
PRESSURE METHANE ADSORPTION; HIGH H-2 ADSORPTION; HYDROGEN STORAGE;
CARBON-DIOXIDE; HIGH-CAPACITY; SURFACE-AREA; NANOPOROUS MATERIALS;
PORE-SIZE
AB Depletion of fossil oil deposits and the escalating threat of global warming have put clean energy research, which includes the search for clean energy carriers such as hydrogen and methane as well as the reduction of carbon dioxide emissions, on the urgent agenda. A significant technical challenge has been recognized as the development of a viable method to efficiently trap hydrogen, methane and carbon dioxide gas molecules in a confined space for various applications. This issue can be addressed by employing highly porous materials as storage media, and porous metal-organic frameworks (MOFs) which have exceptionally high surface areas as well as chemically-tunable structures are playing an unusual role in this respect. In this feature article we provide an overview of the current status of clean energy applications of porous MOFs, including hydrogen storage, methane storage and carbon dioxide capture.
C1 [Ma, Shengqian] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Zhou, Hong-Cai] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA.
RP Ma, SQ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM sma@anl.gov
RI Zhou, Hong-Cai/A-3009-2011; Ma, Shengqian/B-4022-2012
OI Zhou, Hong-Cai/0000-0003-0115-408X; Zhou, Hong-Cai/0000-0002-9029-3788;
Ma, Shengqian/0000-0002-1897-7069
FU Argonne National Laboratory; Department of Energy [DE-FC36-07GO17033];
National Science Foundation [CHE-0449634]
FX S. Ma acknowledges the Director's Postdoctoral Fellowship from Argonne
National Laboratory for the support of this work. H.-C. Zhou
acknowledges financial support from the Department of Energy
(DE-FC36-07GO17033) and the National Science Foundation (CHE-0449634)
for this work.
NR 111
TC 603
Z9 607
U1 48
U2 433
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 1
BP 44
EP 53
DI 10.1039/b916295j
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA 531PB
UT WOS:000272679200003
PM 20024292
ER
PT J
AU Sutton, AD
Davis, BL
Bhattacharyya, KX
Ellis, BD
Gordon, JC
Power, PP
AF Sutton, Andrew D.
Davis, Benjamin L.
Bhattacharyya, Koyel X.
Ellis, Bobby D.
Gordon, John C.
Power, Philip P.
TI Recycle of tin thiolate compounds relevant to ammonia-borane
regeneration
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID CHEMICAL HYDROGEN STORAGE; DEHYDROGENATION
AB The use of benzenedithiol as a digestant for ammonia-borane spent fuel has been shown to result in tin thiolate compounds which we demonstrate can be recycled, yielding Bu(3)SnH and ortho-benzenedithiol for reintroduction to the ammonia-borane regeneration scheme.
C1 [Sutton, Andrew D.; Davis, Benjamin L.; Bhattacharyya, Koyel X.; Gordon, John C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Ellis, Bobby D.; Power, Philip P.] Univ Calif Davis, Davis, CA 96363 USA.
RP Sutton, AD (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM adsutton@lanl.gov; pppower@ucdavis.edu
RI Ellis, Bobby/D-3306-2011; Sutton, Andrew/D-1047-2015; Davis, Benjamin
/I-7897-2015;
OI Sutton, Andrew/0000-0001-7984-1715; Davis, Benjamin/0000-0001-5439-0751
FU US Department of Energy, Office of Energy Efficiency and Renewable
Energy
FX This work was funded by the US Department of Energy, Office of Energy
Efficiency and Renewable Energy.
NR 13
TC 36
Z9 36
U1 0
U2 17
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 1
BP 148
EP 149
DI 10.1039/b919383a
PG 2
WC Chemistry, Multidisciplinary
SC Chemistry
GA 531PB
UT WOS:000272679200033
PM 20024322
ER
PT J
AU Mercado, BQ
Olmstead, MM
Beavers, CM
Easterling, ML
Stevenson, S
Mackey, MA
Coumbe, CE
Phillips, JD
Phillips, JP
Poblet, JM
Balch, AL
AF Mercado, Brandon Q.
Olmstead, Marilyn M.
Beavers, Christine M.
Easterling, Michael L.
Stevenson, Steven
Mackey, Mary A.
Coumbe, Curtis E.
Phillips, Joshua D.
Phillips, J. Paige
Poblet, Josep M.
Balch, Alan L.
TI A seven atom cluster in a carbon cage, the crystallographically
determined structure of Sc-4(mu(3)-O)(3)@I-h-C-80
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID ENDOHEDRAL METALLOFULLERENES; FULLERENES; LANTHANUM; MOLECULES
AB The tetrahedral array of four scandium atoms with oxygen atoms capping three of the four faces found in Sc-4(mu(3)-O)(3)@I-h-C-80 is the largest cluster isolated to date inside a fullerene cage.
C1 [Mercado, Brandon Q.; Olmstead, Marilyn M.; Balch, Alan L.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA.
[Beavers, Christine M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Stevenson, Steven; Mackey, Mary A.; Coumbe, Curtis E.; Phillips, Joshua D.; Phillips, J. Paige] Univ So Mississippi, Dept Chem, Hattiesburg, MS 39406 USA.
[Easterling, Michael L.] Bruker Daltonics Inc, Billerica, MA 01821 USA.
[Poblet, Josep M.] Univ Rovira & Virgili, Dept Quim Fis & Inorgan, Tarragona 43007, Spain.
RP Olmstead, MM (reprint author), Univ Calif Davis, Dept Chem, 1 Shields Ave, Davis, CA 95616 USA.
EM mmolmstead@ucdavis.edu; steven.stevenson@usm.edu; albalch@ucdavis.edu
RI Beavers, Christine/C-3539-2009; Poblet, Josep M./A-2739-2008
OI Beavers, Christine/0000-0001-8653-5513; Poblet, Josep
M./0000-0002-4533-0623
FU National Science Foundation [CHE-0716843, CHE-0547988]; DOE
[P200A060323]; Lucas Research Foundation; Advanced Light Source; U.S.
Department of Energy [DE-AC02-05CH11231]
FX We thank the National Science Foundation (Grants CHE-0716843 to ALB and
MMO, CHE-0547988 to SS), the DOE GAANN Fellowship (P200A060323 to SS),
the Lucas Research Foundation for financial support and the Advanced
Light Source, 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, for beam time, and Dr. Simon J. Teat for
assistance.
NR 14
TC 63
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U1 4
U2 18
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 2
BP 279
EP 281
DI 10.1039/b918731f
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 533CG
UT WOS:000272799200025
PM 20024351
ER
PT J
AU Manna, K
Ellern, A
Sadow, AD
AF Manna, Kuntal
Ellern, Arkady
Sadow, Aaron D.
TI A zwitterionic zirconium complex that catalyzes hydroamination of
aminoalkenes at room temperature
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID METALLOCENE COMPLEXES; OLEFIN POLYMERIZATION; ALKYNES; LIGAND;
ZIRCONOCENE; CHEMISTRY; ALKENES
AB The zwitterionic cyclopentadienyl-bis(2-oxazolinyl)borate diamidozirconium(IV) complex is a precatalyst for the cyclization of aminoalkenes to five- and six-membered rings under mild conditions.
C1 [Sadow, Aaron D.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
Ames Lab, Ames, IA USA.
RP Sadow, AD (reprint author), Iowa State Univ, Dept Chem, 1605 Gilman Hall, Ames, IA 50011 USA.
EM sadow@iastate.edu
FU U. S. DOE Office of Basic Energy Science [DE-AC02-07CH11358]; ACS Green
Chemistry Institute-Petroleum Research Fund
FX We thank the U. S. DOE Office of Basic Energy Science
(DE-AC02-07CH11358) and the ACS Green Chemistry Institute-Petroleum
Research Fund for financial support. Dr Andreja Bakac is thanked for
many helpful discussions.
NR 27
TC 39
Z9 39
U1 1
U2 5
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 2
BP 339
EP 341
DI 10.1039/b918989k
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 533CG
UT WOS:000272799200045
PM 20024371
ER
PT J
AU Severa, G
Ronnebro, E
Jensen, CM
AF Severa, Godwin
Ronnebro, Ewa
Jensen, Craig M.
TI Direct hydrogenation of magnesium boride to magnesium borohydride:
demonstration of > 11 weight percent reversible hydrogen storage
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID THERMAL-DECOMPOSITION; CALCIUM BOROHYDRIDE; MG(BH4)(2); LIBH4
AB Conditions have been found whereby it is possible to reversibly store > 11 wt% hydrogen through the direct hydrogenation of MgB(2) to Mg(BH(4))(2).
C1 [Severa, Godwin; Jensen, Craig M.] Univ Hawaii Manoa, Dept Chem, Honolulu, HI 96822 USA.
[Ronnebro, Ewa] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Ronnebro, E (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM ewa.ronnebro@pnl.gov; jensen@hawaii.edu
FU Office of Hydrogen Fuel Cells and Infrastructure Technology of the U.S.
Department of Energy
FX We acknowledge the financial support of this work provided by the Office
of Hydrogen Fuel Cells and Infrastructure Technology of the U.S.
Department of Energy.
NR 19
TC 99
Z9 101
U1 4
U2 47
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 3
BP 421
EP 423
DI 10.1039/b921205a
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 535TA
UT WOS:000272992700017
PM 20066312
ER
PT J
AU Kishan, MR
Tian, J
Thallapally, PK
Fernandez, CA
Dalgarno, SJ
Warren, JE
McGrail, BP
Atwood, JL
AF Kishan, Motkuri Radha
Tian, Jian
Thallapally, Praveen K.
Fernandez, Carlos A.
Dalgarno, Scott J.
Warren, John E.
McGrail, B. Peter
Atwood, Jerry L.
TI Flexible metal-organic supramolecular isomers for gas separation
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID CARBON-DIOXIDE; COORDINATION POLYMER; HYDROGEN STORAGE; METHANE STORAGE;
HIGH-CAPACITY; FRAMEWORKS; ADSORPTION; SITES; CO2; MOLECULES
AB Three interpenetrated metal-organic supramolecular isomers were synthesised using a flexible tetrahedral organic linker and Zn(2) clusters that sorb CO(2) preferably over N(2), H(2) and methane at room temperature.
C1 [Kishan, Motkuri Radha; Thallapally, Praveen K.; Fernandez, Carlos A.; McGrail, B. Peter] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
[Tian, Jian; Atwood, Jerry L.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA.
[Dalgarno, Scott J.] Heriot Watt Univ, Sch Engn & Phys Sci Chem, Edinburgh EH14 4AS, Midlothian, Scotland.
[Warren, John E.] Daresbury Sci & Innovat Campus, Warrington WA4 4AD, Cheshire, England.
RP Thallapally, PK (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
EM Praveen.thallapally@pnl.gov
RI Warren, John/B-5219-2008; Tian, Jian/I-8637-2012; Motkuri,
Radha/F-1041-2014; thallapally, praveen/I-5026-2014; Dalgarno,
Scott/A-7358-2010
OI Warren, John/0000-0002-8755-7981; Motkuri, Radha/0000-0002-2079-4798;
thallapally, praveen/0000-0001-7814-4467; Dalgarno,
Scott/0000-0001-7831-012X
FU U.S. Department of Energy's Office of Basic Energy Sciences
[DE-AC05-76RL01830]
FX This work was supported by Laboratory Directed Research and Development
funding. In addition, portions of the work were supported by the U.S.
Department of Energy's Office of Basic Energy Sciences and the Office of
Fossil Energy. The Pacific Northwest National Laboratory is operated by
Battelle for the U.S. Department of Energy under Contract
DE-AC05-76RL01830.
NR 33
TC 129
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U1 1
U2 30
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 4
BP 538
EP 540
DI 10.1039/b913910a
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 542IF
UT WOS:000273485600003
PM 20062854
ER
PT J
AU Cantat, T
Scott, BL
Kiplinger, JL
AF Cantat, Thibault
Scott, Brian L.
Kiplinger, Jaqueline L.
TI Convenient access to the anhydrous thorium tetrachloride complexes
ThCl4(DME)(2), ThCl4(1,4-dioxane)(2) and ThCl4(THF)(3.5) using
commercially available and inexpensive starting materials
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID CRYSTAL-STRUCTURE; CARBON-MONOXIDE; F-ELEMENT; METALLOCENE; CATALYSTS;
URANIUM; DEHYDRATION; CHLORIDES; OLEFIN; LIGAND
AB Anhydrous thorium tetrachloride complexes ThCl4(DME)(2), ThCl4(1,4-dioxane)(2), and ThCl4(THF)(3.5) have been easily accessed from inexpensive, commercially available reagents under mild conditions and serve as excellent precursors to a variety of thorium(IV) halide, alkoxide, amide and organometallic compounds.
C1 [Cantat, Thibault; Scott, Brian L.; Kiplinger, Jaqueline L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Cantat, T (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM thibault.cantat@cea.fr; kiplinger@lanl.gov
RI Cantat, Thibault/A-8167-2010; Kiplinger, Jaqueline/B-9158-2011; Scott,
Brian/D-8995-2017
OI Cantat, Thibault/0000-0001-5265-8179; Kiplinger,
Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396
FU LANL; Division of Chemical Sciences, Office of Basic Energy Sciences
FX For financial support of this work, we acknowledge LANL (Director's PD
Fellowship to T. C.), the LANL LDRD program, and the Division of
Chemical Sciences, Office of Basic Energy Sciences, Heavy Element
Chemistry program. In addition, the authors thank Prof. David J. H.
Emslie and Carlos Cruz (McMaster University) for sharing
1H-13C NMR spectra of authentic
ThCl4(DME)2 samples.
NR 28
TC 40
Z9 40
U1 2
U2 14
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 6
BP 919
EP 921
DI 10.1039/b923558b
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 549RF
UT WOS:000274070800021
PM 20107650
ER
PT J
AU Bigi, JP
Hanna, TE
Harman, WH
Chang, A
Chang, CJ
AF Bigi, Julian P.
Hanna, Tamara E.
Harman, W. Hill
Chang, Alicia
Chang, Christopher J.
TI Electrocatalytic reduction of protons to hydrogen by a water-compatible
cobalt polypyridyl platform
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID FERRIC METHOXIDE COMPLEX; IRON-ONLY HYDROGENASE; RATE-DETERMINING STEP;
H BOND ACTIVATION; ACTIVE-SITE; CRYSTAL-STRUCTURE; MOLECULAR CATALYSTS;
LOW OVERPOTENTIALS; HYDROXIDE COMPLEX; FUNCTIONAL MODELS
AB A cobalt(II) complex supported by the new tetradentate polypyridyl ligand PY4 is an electrocatalyst for the reduction of protons to hydrogen and can operate in 50% aqueous media.
C1 [Bigi, Julian P.; Hanna, Tamara E.; Harman, W. Hill; Chang, Alicia; Chang, Christopher J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Bigi, Julian P.; Hanna, Tamara E.; Harman, W. Hill; Chang, Christopher J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Chang, Christopher J.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA.
RP Chang, CJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM chrischang@berkeley.edu
OI Hanna, Tamara/0000-0001-9664-7607
FU Director, Office of Science, Office of Basic Energy Sciences of the U.S.
Department of Energy [51HE112B, DE-AC02-05CH11231]; University of
California, Berkeley; Dreyfus, Beckman, Packard, and Sloan Foundations;
LBNL Chemical Sciences Division [403801]; NSF; Arkema
FX This work was funded by the Helios Solar Energy Research Center
(51HE112B), which 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. We also thank the University of
California, Berkeley, the Dreyfus, Beckman, Packard, and Sloan
Foundations, and the LBNL Chemical Sciences Division (403801) for
research support. J.P.B. and W. H. H. were also supported by graduate
fellowships from NSF and Arkema, respectively. We thank Dr Deanna
D'Alessandro and Prof Je. Long for help with spectroelectrochemistry, Ms
Melissa Fardy and Prof Peidong Yang for use of their gas chromatography
instrument, and Dr Antonio DiPasquale and Dr Frederick J. Hollander for
assistance with crystallography.
NR 61
TC 108
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U1 0
U2 30
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 6
BP 958
EP 960
DI 10.1039/b915846d
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 549RF
UT WOS:000274070800034
PM 20107663
ER
PT J
AU Bok, HM
Shuford, KL
Jeong, E
Park, S
AF Bok, Hye-Mi
Shuford, Kevin L.
Jeong, Eden
Park, Sungho
TI Intra-surface plasmon coupling between smooth and nanoporous blocks in a
gold nanorod
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID DISCRETE-DIPOLE APPROXIMATION; RESONANCE; NANOWIRES; SHAPES
AB We report an intraparticle surface plasmon coupling in Au nanorod structures consisting of half smooth and half nanoporous surface morphology; the relative ratio and the diameter difference between each block were important in determining the overall optical properties of such nanostructures.
C1 [Bok, Hye-Mi; Jeong, Eden; Park, Sungho] Sungkyunkwan Univ, Dept Chem, Suwon 440746, South Korea.
[Bok, Hye-Mi; Jeong, Eden; Park, Sungho] Sungkyunkwan Univ, Dept Energy Sci, Suwon 440746, South Korea.
[Park, Sungho] Sungkyunkwan Univ, SKKU Adv Inst Nanotechnol, Suwon 440746, South Korea.
[Shuford, Kevin L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Park, S (reprint author), Sungkyunkwan Univ, Dept Chem, Suwon 440746, South Korea.
EM spark72@skku.edu
RI Shuford, Kevin/L-2435-2014
FU Korean Government (MOEHRD) [KRF-2008-005-J00702]; Korea Science and
Engineering Foundation [2008-04285, 20090069354,
WCU-R31-2008-000-10029-0]; Division of Chemical Sciences, Biosciences,
and Geosciences, Office of Basic Energy Sciences, U.S. Department of
Energy [DE-AC05-00OR22725]
FX This work was supported by the Korea Research Foundation Grant funded by
the Korean Government (MOEHRD, KRF-2008-005-J00702) and the Korea
Science and Engineering Foundation (Nano R& D program, 2008-04285,
20090069354, WCU-R31-2008-000-10029-0). K. L. S was supported by the
Division of Chemical Sciences, Biosciences, and Geosciences, Office of
Basic Energy Sciences, U.S. Department of Energy under contract
DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and
operated by UT-Battelle, LLC.
NR 18
TC 9
Z9 9
U1 1
U2 13
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 6
BP 982
EP 984
DI 10.1039/b918510k
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 549RF
UT WOS:000274070800042
PM 20107671
ER
PT J
AU Caballero, A
Holgado, JP
Gonzalez-delaCruz, VM
Habas, SE
Herranz, T
Salmeron, M
AF Caballero, Alfonso
Holgado, Juan P.
Gonzalez-delaCruz, Victor M.
Habas, Susan E.
Herranz, Tirma
Salmeron, Miquel
TI In situ spectroscopic detection of SMSI effect in a Ni/CeO2 system:
hydrogen-induced burial and dig out of metallic nickel
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SUPPORT INTERACTIONS; ELECTRON-MICROSCOPY; CATALYTIC-ACTIVITY; RH/TIO2
CATALYSTS; PARTICLE-SIZE; MICROSTRUCTURE; PHOTOEMISSION; CERIA; XPS
AB In situ APPES technique demonstrates that the strong metal support interaction effect (SMSI) in the Ni-ceria system is associated with the decoration and burial of metallic particles by the partially reduced support, a phenomenon reversible by evacuation at high temperature of the previously absorbed hydrogen.
C1 [Caballero, Alfonso; Holgado, Juan P.; Gonzalez-delaCruz, Victor M.] Univ Seville, CSIC, Inst Ciencia Mat, Seville, Spain.
[Caballero, Alfonso; Holgado, Juan P.; Gonzalez-delaCruz, Victor M.] Univ Seville, Dept Quim Inorgan, Seville, Spain.
[Habas, Susan E.; Herranz, Tirma; Salmeron, Miquel] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Caballero, A (reprint author), Univ Seville, CSIC, Inst Ciencia Mat, Seville, Spain.
EM caballero@us.es
RI Herranz, Tirma/A-8656-2008; Holgado, Juan P./B-7479-2012;
OI Holgado, Juan P./0000-0003-4551-5094; Gonzalez-delaCruz, Victor
Manuel/0000-0003-4183-0396
FU Spanish Ministry of Science and Education and Junta de Andalucia
[ENE2007-67926-C02-01, 2007-FQM-2520]; Mobility Action [PR2007-0374];
Office of Basic Energy Sciences; Department of Energy
[DE-AC02-05CH11231]
FX The authors gratefully acknowledge the financial support of the Spanish
Ministry of Science and Education and Junta de Andalucia (Projects
ENE2007-67926-C02-01, 2007-FQM-2520 and Mobility Action PR2007-0374). MS
is funded by the Office of Basic Energy Sciences, Chemical Sciences,
Geosciences, and Biosciences Division, under the Department of Energy
Contract No. DE-AC02-05CH11231.
NR 19
TC 65
Z9 66
U1 10
U2 75
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 7
BP 1097
EP 1099
DI 10.1039/b920803h
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 551WI
UT WOS:000274243100026
PM 20126725
ER
PT J
AU Sun, DF
Ma, SQ
Simmons, JM
Li, JR
Yuan, DQ
Zhou, HC
AF Sun, Daofeng
Ma, Shengqian
Simmons, Jason M.
Li, Jian-Rong
Yuan, Daqiang
Zhou, Hong-Cai
TI An unusual case of symmetry-preserving isomerism
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; HIGH H-2 ADSORPTION; SUPRAMOLECULAR ISOMERISM;
HYDROGEN STORAGE; COORDINATION POLYMERS; CATENATION ISOMERISM; SITES;
CENTERS; LIGAND
AB Two isomeric phases of the NbO-type structure have been discovered: PCN-16 (alpha phase) and PCN-16' (beta phase), and gas sorption studies revealed that the alpha phase possesses a larger surface area, leading to higher hydrogen and methane storage capacity as compared with the beta phase.
C1 [Ma, Shengqian] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Sun, Daofeng; Li, Jian-Rong; Yuan, Daqiang; Zhou, Hong-Cai] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA.
[Simmons, Jason M.] Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
RP Ma, SQ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM sma@anl.gov; zhou@mail.chem.tamu.edu
RI Yuan, Daqiang/F-5695-2010; Li, Jian-Rong (Jeff)/G-2781-2010; Sun,
Daofeng/H-3700-2011; Ma, Shengqian/B-4022-2012; Zhou,
Hong-Cai/A-3009-2011
OI Yuan, Daqiang/0000-0003-4627-072X; Zhou, Hong-Cai/0000-0003-0115-408X;
Sun, Daofeng/0000-0003-3184-1841; Ma, Shengqian/0000-0002-1897-7069;
Zhou, Hong-Cai/0000-0002-9029-3788
FU US Department of Energy [DE-FC36-07GO17033, BES DE-FG02-98ER45701]; US
National Science Foundation [CHE-0449634]; Argonne National Laboratory
FX This work was supported by the US Department of Energy
(DE-FC36-07GO17033) and the US National Science Foundation
(CHE-0449634). S. Ma acknowledges the Director's Postdoctoral Fellowship
from Argonne National Laboratory. J. M. Simmons also acknowledges
support from DOE (BES DE-FG02-98ER45701).
NR 31
TC 107
Z9 107
U1 1
U2 30
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 8
BP 1329
EP 1331
DI 10.1039/b920995f
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 553WE
UT WOS:000274396700044
PM 20449293
ER
PT J
AU Lee, BC
Zuckermann, RN
AF Lee, Byoung-Chul
Zuckermann, Ronald N.
TI Templated display of biomolecules and inorganic nanoparticles by metal
ion-induced peptide nanofibers
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID FIBRILS; COMPLEXES; SYSTEMS; GROWTH
AB We functionalized peptide nanofibers to provide a nano-scale template for the display of biomolecules and inorganic nanoparticles using metal ion coordination. Nanofibers assembled only in the presence of certain divalent metal ions, and could be readily dissolved by a metal-chelating reagent, EDTA.
C1 [Lee, Byoung-Chul; Zuckermann, Ronald N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Biol Nanostruct Facil, Berkeley, CA 94720 USA.
RP Zuckermann, RN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Biol Nanostruct Facil, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM rnzuckermann@lbl.gov
RI Zuckermann, Ronald/A-7606-2014
OI Zuckermann, Ronald/0000-0002-3055-8860
FU U.S. Department of Energy [DE-AC02-05CH11231]
FX We thank Dr Caroline Ajo-Franklin for providing the Escherichia coli
strain that overexpress mCherry, Dr Virginia Altoe for operating the
HRTEM, and Amanda Marciel for powder X-ray diffraction. We also thank
Michael Connolly for valuable comments and assistance. This work was
performed at the Molecular Foundry, Lawrence Berkeley National
Laboratory, and was supported by the Office of Science, Office of Basic
Energy Sciences, of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231.
NR 25
TC 7
Z9 7
U1 0
U2 6
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 10
BP 1634
EP 1636
DI 10.1039/b925395e
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 559LS
UT WOS:000274827000009
PM 20177599
ER
PT J
AU Roy, LE
Ortiz-Acosta, D
Batista, ER
Scott, BL
Blair, MW
May, I
Del Sesto, RE
Martin, RL
AF Roy, Lindsay E.
Ortiz-Acosta, Denisse
Batista, Enrique R.
Scott, Brian L.
Blair, Michael W.
May, Iain
Del Sesto, Rico E.
Martin, Richard L.
TI Luminescence in Ce-IV polyoxometalate [Ce(W5O18)(2)](8-): a combined
experimental and theoretical study
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID INTRAMOLECULAR ENERGY-TRANSFER; SR2CEO4; ANION
AB Herein we describe the unique luminescent behavior observed in [Ce-IV(W5O18)(2)](8-) clusters and examine the photophysical properties using density functional theory.
C1 [Ortiz-Acosta, Denisse; Scott, Brian L.; Del Sesto, Rico E.] Los Alamos Natl Lab, Mat Phys & Applicat Mat Chem Div, Los Alamos, NM 87545 USA.
[Roy, Lindsay E.; Batista, Enrique R.; Martin, Richard L.] Los Alamos Natl Lab, Theoret Div T 1, Los Alamos, NM 87545 USA.
[Blair, Michael W.] Los Alamos Natl Lab, Earth Syst Observat Div EES 14, Los Alamos, NM 87545 USA.
[May, Iain] Los Alamos Natl Lab, Chem Div C IIAC, Los Alamos, NM 87545 USA.
RP Del Sesto, RE (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Mat Chem Div, Mail Stop J514, Los Alamos, NM 87545 USA.
EM ricod@lanl.gov; rlmartin@lanl.gov
RI Scott, Brian/D-8995-2017
OI Scott, Brian/0000-0003-0468-5396
FU U.S. Department of Energy through the LANL/LDRD [DE-AC52-06NA25396]
FX We gratefully acknowledge the support of this work by the U.S.
Department of Energy through the LANL/LDRD Program and the Heavy Element
Chemical Research Program, Chemical Sciences Division of the Office of
Basic Energy Sciences. The authors are grateful to Cytec Canada for
supplying the [R4P] Cl starting material. Los Alamos National Laboratory
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 18
TC 10
Z9 10
U1 1
U2 11
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 11
BP 1848
EP 1850
DI 10.1039/b926660g
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 563BE
UT WOS:000275099600011
PM 20198229
ER
PT J
AU Fang, XK
Speldrich, M
Schilder, H
Cao, R
O'Halloran, KP
Hill, CL
Kogerler, P
AF Fang, Xikui
Speldrich, Manfred
Schilder, Helmut
Cao, Rui
O'Halloran, Kevin P.
Hill, Craig L.
Koegerler, Paul
TI Switching slow relaxation in a (Mn3MnIV)-Mn-III cluster: an example of
grafting single-molecule magnets onto polyoxometalates
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID ATOMIC-FORCE MICROSCOPY; CONJUGATED POLYMERS; CONDUCTING POLYMER;
POLYANILINE NANOFIBERS; NANOLITHOGRAPHY; LITHOGRAPHY; SENSOR;
MONOLAYERS; FRICTION; FILMS
AB Binding an established single-molecule magnet cluster of distorted cubane type [(Mn3MnO4)-Mn-III-O-IV] to the lacunary site of an {alpha-P2W15} polyoxotungstate scaffold results in a surprising zero-field splitting inversion and the subsequent loss of magnetization bistability.
C1 [Fang, Xikui; Koegerler, Paul] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
[Speldrich, Manfred; Schilder, Helmut; Koegerler, Paul] Rhein Westfal TH Aachen, Inst Inorgan Chem, D-52074 Aachen, Germany.
[Cao, Rui; O'Halloran, Kevin P.; Hill, Craig L.] Emory Univ, Dept Chem, Atlanta, GA 30322 USA.
RP Fang, XK (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
EM xfang@ameslab.gov; paul.koegerler@ac.rwth-aachen.de
RI Kogerler, Paul/H-5866-2013; Speldrich, Manfred/P-3615-2016
OI Kogerler, Paul/0000-0001-7831-3953; Speldrich,
Manfred/0000-0002-8626-6410
FU NSC, Taiwan, and ROC [NSC-98-2113-M-008-009]
FX Support for this work by the NSC, Taiwan, and ROC through the project
NSC-98-2113-M-008-009 is greatly acknowledged.
NR 32
TC 66
Z9 66
U1 2
U2 24
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 16
BP 2760
EP 2762
DI 10.1039/b925947c
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 579MW
UT WOS:000276376000013
PM 20369174
ER
PT J
AU Jiao, F
Frei, H
AF Jiao, Feng
Frei, Heinz
TI Nanostructured manganese oxide clusters supported on mesoporous silica
as efficient oxygen-evolving catalysts
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID ANODIC CHARACTERISTICS; WATER OXIDATION; METAL-OXIDES; EVOLUTION;
ELECTRODES; ELECTROLYSIS; COMPLEX
AB Nanostructured Mn oxide clusters supported on mesoporous silica KIT-6 efficiently evolve O(2) in aqueous solution under mild conditions.
C1 [Jiao, Feng; Frei, Heinz] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Frei, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
EM hmfrei@lbl.gov
RI Jiao, Feng/E-7766-2010
FU Office of Science, Office of Basic Energy Sciences of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX This work was funded by the Helios Solar Energy Research Center, which
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 acknowledge the support of the National
Center for Electron Microscopy, Lawrence Berkeley National Laboratory,
which is supported by the U.S. Department of Energy. Portions of this
research were carried out at the Stanford Synchrotron Radiation
Laboratory, a national user facility operated by Stanford University on
behalf of the U.S. Department of Energy, Office of Basic Energy
Sciences.
NR 19
TC 215
Z9 217
U1 15
U2 126
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 17
BP 2920
EP 2922
DI 10.1039/b921820c
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 582XD
UT WOS:000276632800008
PM 20386823
ER
PT J
AU Jiang, XM
Ward, TL
Cheng, YS
Liu, JW
Brinker, CJ
AF Jiang, Xingmao
Ward, Timothy L.
Cheng, Yung-Sung
Liu, Juewen
Brinker, C. Jeffrey
TI Aerosol fabrication of hollow mesoporous silica nanoparticles and
encapsulation of L-methionine as a candidate drug cargo
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SUPPORTED LIPID-BILAYERS; GENE DELIVERY; CONTROLLED-RELEASE; PARTICLES;
CELLS
AB Hollow spherical nanoparticles with ordered mesoporous silica shells were fabricated by evaporation-induced self-assembly using (NH(4))(2)SO(4) and cetyltrimethyl ammonium bromide (CTAB) as templates. The model drug, L-methionine, was encapsulated within the spherical void at high loadings by repeated crystallization.
C1 [Jiang, Xingmao; Ward, Timothy L.; Brinker, C. Jeffrey] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA.
[Jiang, Xingmao; Ward, Timothy L.; Brinker, C. Jeffrey] Univ New Mexico, Ctr Microengineered Mat, Albuquerque, NM 87131 USA.
[Jiang, Xingmao; Cheng, Yung-Sung] Lovelace Resp Res Inst, Aerosol & Resp Dosimetry Program, Albuquerque, NM 87108 USA.
[Liu, Juewen] Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada.
[Brinker, C. Jeffrey] Univ New Mexico, Dept Mol Genet & Microbiol, Albuquerque, NM 87131 USA.
[Brinker, C. Jeffrey] Sandia Natl Labs, Albuquerque, NM 87106 USA.
RP Brinker, CJ (reprint author), Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA.
EM cjbrink@sandia.gov
RI jiang, xingmao /H-3554-2013; Liu, Juewen/A-2701-2014
FU USA NIH through the NIH Roadmap for Medical Research; DOE Office of
Science, Division of Material Science and Engineering; Air Force Office
of Scientific Research
FX We acknowledge funding from the USA NIH through the NIH Roadmap for
Medical Research, DOE Office of Science, Division of Material Science
and Engineering and Air Force Office of Scientific Research.
NR 26
TC 42
Z9 44
U1 2
U2 40
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 17
BP 3019
EP 3021
DI 10.1039/b927025f
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 582XD
UT WOS:000276632800041
PM 20386854
ER
PT J
AU Sharma, J
Yeh, HC
Yoo, H
Werner, JH
Martinez, JS
AF Sharma, Jaswinder
Yeh, Hsin-Chih
Yoo, Hyojong
Werner, James H.
Martinez, Jennifer S.
TI A complementary palette of fluorescent silver nanoclusters
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID HIGHLY FLUORESCENT; QUANTUM DOTS; DNA; NANOPARTICLES; FLUOROPHORES
AB We report the synthesis and photophysical properties of silver-nanoclusters templated on DNA, with fluorescence excitation and emission at distinct wavelengths that are tuned to common laser excitation wavelengths.
C1 [Sharma, Jaswinder; Yeh, Hsin-Chih; Yoo, Hyojong; Werner, James H.; Martinez, Jennifer S.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
RP Martinez, JS (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA.
EM jenm@lanl.gov
OI Werner, James/0000-0002-7616-8913
FU Los Alamos National Laboratory Directed Research and Development (LDRD);
Director's Postdoctoral Fellowship
FX This research is supported by the Los Alamos National Laboratory
Directed Research and Development (LDRD) and a Director's Postdoctoral
Fellowship to J.S. This work was performed at the Center for Integrated
Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy
Sciences user facility.
NR 26
TC 177
Z9 177
U1 6
U2 66
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 19
BP 3280
EP 3282
DI 10.1039/b927268b
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 591QS
UT WOS:000277318000012
PM 20442886
ER
PT J
AU Atwood, JL
Brechin, EK
Dalgarno, SJ
Inglis, R
Jones, LF
Mossine, A
Paterson, MJ
Power, NP
Teat, SJ
AF Atwood, Jerry L.
Brechin, Euan K.
Dalgarno, Scott J.
Inglis, Ross
Jones, Leigh F.
Mossine, Andrew
Paterson, Martin J.
Power, Nicholas P.
Teat, Simon J.
TI Magnetism in metal-organic capsules
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SINGLE-MOLECULE MAGNETS; COORDINATED CAPSULES; NANOCAPSULES; POLYHEDRA;
FLUORESCENCE; ASSEMBLIES; COMPLEXES; CHEMISTRY; ROBUST; GUEST
AB Nickel and cobalt seamed metal-organic capsules have been isolated and studied using structural, magnetic and computational approaches. Antiferromagnetic exchange in the Ni capsule results from coordination environments enforced by the capsule framework.
C1 [Atwood, Jerry L.; Mossine, Andrew] Univ Missouri, Dept Chem, Columbia, MO 65211 USA.
[Brechin, Euan K.; Inglis, Ross] Univ Edinburgh, Sch Chem, Edinburgh EH9 3JJ, Midlothian, Scotland.
[Dalgarno, Scott J.; Paterson, Martin J.] Heriot Watt Univ, Sch Engn & Phys Sci Chem, Edinburgh EH14 4AS, Midlothian, Scotland.
[Jones, Leigh F.; Power, Nicholas P.] Natl Univ Ireland, Sch Chem, Galway, Ireland.
[Teat, Simon J.] Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Atwood, JL (reprint author), Univ Missouri, Dept Chem, 601 S Coll Ave, Columbia, MO 65211 USA.
EM AtwoodJ@missouri.edu; S.J.Dalgarno@hw.ac.uk; Nicholas.Power@nuigalway.ie
RI Brechin, Euan/M-5130-2014; Paterson, Martin/F-7348-2012; Dalgarno,
Scott/A-7358-2010; Power, Nicholas/C-9484-2017;
OI Brechin, Euan/0000-0002-9365-370X; Paterson, Martin/0000-0002-0012-974X;
Dalgarno, Scott/0000-0001-7831-012X; Power,
Nicholas/0000-0002-4630-7580; Jones, Leigh/0000-0001-6801-3826
FU NSF; Heriot-Watt University; NUI Galway; Office of Science, Office of
Basic Energy Sciences of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX We thank the NSF, Heriot-Watt University, and the NUI Galway Millenium
fund for financial support of this work. 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.
NR 39
TC 34
Z9 35
U1 4
U2 30
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 20
BP 3484
EP 3486
DI 10.1039/c002247k
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 593UW
UT WOS:000277487700013
PM 20358055
ER
PT J
AU Kim, B
Ma, BW
Donuru, VR
Liu, HY
Frechet, JMJ
AF Kim, BongSoo
Ma, Biwu
Donuru, Venkat R.
Liu, Haiying
Frechet, Jean M. J.
TI Bodipy-backboned polymers as electron donor in bulk heterojunction solar
cells
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID PHOTOVOLTAIC CELLS; EFFICIENCY; PERFORMANCE; MORPHOLOGY; MOBILITY;
NETWORK; DYES
AB Bodipy-based polymers, which possess a high absorption coefficient with a bandgap of similar to 1.6 eV, have been used as electron donor in solution-processed bulk heterojunction (BHJ) solar cells containing PCBM as acceptor. A power conversion efficiency (PCE) of similar to 2% has been achieved with V(oc) of similar to 0.8 eV and J(sc) of similar to 4.8 mA cm(-2).
C1 [Ma, Biwu; Frechet, Jean M. J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Kim, BongSoo; Frechet, Jean M. J.] Univ Calif Berkeley, Coll Chem, Berkeley, CA 94720 USA.
[Donuru, Venkat R.; Liu, Haiying] Michigan Technol Univ, Dept Chem, Houghton, MI 49931 USA.
RP Ma, BW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM BWMa@lbl.gov; frechet@berkeley.edu
RI Ma, Biwu/B-6943-2012;
OI Frechet, Jean /0000-0001-6419-0163
FU Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]; Michigan Technological
University; 21st Century Jobs Fund of Michigan [06-1-P1-0283]
FX This work carried out in part using the facilities of the Molecular
Foundry at Lawrence Berkeley National Laboratory was supported by the
Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231, and in part
by the Research Excellence Fund of Michigan Technological University and
the 21st Century Jobs Fund of Michigan (contract number: 06-1-P1-0283).
NR 23
TC 83
Z9 83
U1 0
U2 26
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 23
BP 4148
EP 4150
DI 10.1039/b927350f
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 605RO
UT WOS:000278364900035
PM 20390122
ER
PT J
AU Wang, XQ
Fulvio, PF
Baker, GA
Veith, GM
Unocic, RR
Mahurin, SM
Chi, MF
Dai, S
AF Wang, Xiqing
Fulvio, Pasquale F.
Baker, Gary A.
Veith, Gabriel M.
Unocic, Raymond R.
Mahurin, Shannon M.
Chi, Miaofang
Dai, Sheng
TI Direct exfoliation of natural graphite into micrometre size few layers
graphene sheets using ionic liquids
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID FUNCTIONALIZED GRAPHENE; PHASE EXFOLIATION; DISPERSIONS; NANOSHEETS;
FILMS; OXIDE
AB Stable high-concentration suspensions (up to 0.95 mg mL(-1)) of non-oxidized few layer graphene (FLG), five or less sheets, with micrometre-long edges were obtained via direct exfoliation of natural graphite flakes in ionic liquids, such as 1-butyl-3-methyl-imidazolium bis(trifluoro-methane-sulfonyl)imide ([Bmim]-[Tf2N]), by tip ultrasonication.
C1 [Wang, Xiqing; Fulvio, Pasquale F.; Baker, Gary A.; Mahurin, Shannon M.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Veith, Gabriel M.; Unocic, Raymond R.; Chi, Miaofang] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM dais@ornl.gov
RI Wang, Xiqing/E-3062-2010; Fulvio, Pasquale/B-2968-2014; Chi,
Miaofang/Q-2489-2015; Baker, Gary/H-9444-2016; Dai, Sheng/K-8411-2015;
OI Wang, Xiqing/0000-0002-1843-008X; Fulvio, Pasquale/0000-0001-7580-727X;
Chi, Miaofang/0000-0003-0764-1567; Baker, Gary/0000-0002-3052-7730; Dai,
Sheng/0000-0002-8046-3931; Unocic, Raymond/0000-0002-1777-8228
FU Oak Ridge National Laboratory (ORNL); Scientific User Facilities
Division, Office of Basic Energy Sciences, U.S. Department of Energy
(DOE); Division of Chemical Sciences, Geosciences, and Biosciences;
Division of Materials Sciences and Engineering, Office of Basic Energy
Sciences, U.S. DOE; U.S. DOE, Office of Science, Office of Basic Energy
[DE-AC05-OR22725]
FX Microscopy research was supported in part by Oak Ridge National
Laboratory (ORNL) Shared Research Equipment (SHaRE) User Facility, which
is sponsored by the Scientific User Facilities Division, Office of Basic
Energy Sciences, U.S. Department of Energy (DOE). X. W., G. A. B., and
S. M. M. were supported by the Division of Chemical Sciences,
Geosciences, and Biosciences, and G. M. V. was supported by the Division
of Materials Sciences and Engineering, Office of Basic Energy Sciences,
U.S. DOE. P. F. F., R. R. U., and S. D. were supported as part of the
Fluid Interface Reactions, Structures and Transport (FIRST) Center, an
Energy Frontier Research Center funded by the U.S. DOE, Office of
Science, Office of Basic Energy Sciences under contract DE-AC05-OR22725
with ORNL, managed and operated by UT-Battelle, LLC.
NR 30
TC 136
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U1 26
U2 181
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 25
BP 4487
EP 4489
DI 10.1039/c0cc00799d
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 611NV
UT WOS:000278824200010
PM 20485780
ER
PT J
AU Yuan, SW
Dorney, B
White, D
Kirklin, S
Zapol, P
Yu, LP
Liu, DJ
AF Yuan, Shengwen
Dorney, Brian
White, Desiree
Kirklin, Scott
Zapol, Peter
Yu, Luping
Liu, Di-Jia
TI Microporous polyphenylenes with tunable pore size for hydrogen storage
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID INTRINSIC MICROPOROSITY; SURFACE-AREA; POLYMER NETWORKS; NANOPOROUS
POLYMERS; ORGANIC FRAMEWORK; ADSORPTION
AB A series of highly porous polymers with similar BET surface areas of higher than 1000 m(2) g(-1) but tunable pore ranging from 0.7 nm to 0.9 nm were synthesized through facile ethynyl trimerization reaction to demonstrate the surface property-hydrogen adsorption relationship.
C1 [Liu, Di-Jia] Univ Chicago, Dept Chem, Chicago, IL 60637 USA.
[Liu, Di-Jia] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA.
[Yuan, Shengwen; Dorney, Brian; White, Desiree; Kirklin, Scott; Zapol, Peter; Liu, Di-Jia] Argonne Natl Lab, Chem Sci Engn Div, Argonne, IL 60439 USA.
[Zapol, Peter] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
RP Yu, LP (reprint author), Univ Chicago, Dept Chem, 929 E 57th St, Chicago, IL 60637 USA.
EM lupingyu@uchcicago.edu; djliu@anl.gov
RI Zapol, Peter/G-1810-2012
OI Zapol, Peter/0000-0003-0570-9169
FU U.S. Department of Energy under the Office of Energy Efficiency and
Renewal Energy
FX This work was supported by the U.S. Department of Energy's Fuel Cell
Technologies program under the Office of Energy Efficiency and Renewal
Energy. The authors wish to thank Dr Shengqian Ma for his helpful
discussion and experimental support from Mr Jose R. Regalbuto. Use of
Argonne's LCRC computational resources is gratefully acknowledged.
NR 21
TC 100
Z9 101
U1 8
U2 64
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 25
BP 4547
EP 4549
DI 10.1039/c0cc00235f
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 611NV
UT WOS:000278824200030
PM 20502839
ER
PT J
AU Nune, SK
Thallapally, PK
Dohnalkova, A
Wang, CM
Liu, J
Exarhos, GJ
AF Nune, Satish K.
Thallapally, Praveen K.
Dohnalkova, Alice
Wang, Chongmin
Liu, Jun
Exarhos, Gregory J.
TI Synthesis and properties of nano zeolitic imidazolate frameworks
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; ROOM-TEMPERATURE; GAS-ADSORPTION;
CARBON-DIOXIDE; COORDINATION; STORAGE; SITES; CAPSULES; CAPTURE; SOLIDS
AB Nanosized zeolitic imidazolate frameworks [nZIF-8] with excellent chemical and thermal stability have been synthesized at room temperature by simple mixing of 2-methylimidazole and zinc nitrate hexahydrate in methanol/1% high molecular weight poly(diallyldimethylammonium chloride) solution for 24 h.
C1 [Nune, Satish K.; Thallapally, Praveen K.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
[Dohnalkova, Alice; Wang, Chongmin] Pacific NW Natl Lab, Interfacial & Nanoscale Sci Facil, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA.
[Liu, Jun; Exarhos, Gregory J.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA.
RP Thallapally, PK (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
EM praveen.thallapally@pnl.gov
RI yarasi, soujanya/F-5531-2011; thallapally, praveen/I-5026-2014
OI thallapally, praveen/0000-0001-7814-4467
FU US Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering [KC020105-FWP12152]; DOE
[DE-AC05-76RL01830]
FX PKT, JL and GJE thank the US Department of Energy, Office of Basic
Energy Sciences, Division of Materials Sciences and Engineering under
Award KC020105-FWP12152. PNNL is a multiprogram national laboratory
operated for DOE by Battelle under Contract DE-AC05-76RL01830.
NR 33
TC 112
Z9 113
U1 10
U2 110
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 27
BP 4878
EP 4880
DI 10.1039/c002088e
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 618AG
UT WOS:000279322700003
PM 20585703
ER
PT J
AU Bai, F
Wu, HM
Haddad, RE
Sun, ZC
Schmitt, SK
Skocypec, VR
Fan, HY
AF Bai, Feng
Wu, Huimeng
Haddad, Raid E.
Sun, Zaicheng
Schmitt, Samantha K.
Skocypec, Valerie R.
Fan, Hongyou
TI Monodisperse porous nanodiscs with fluorescent and crystalline wall
structure
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SELF-METALLIZATION; HOLLOW SPHERES; PORPHYRIN; PARTICLES; SURFACES;
ARRAYS
AB We report a facile solution process to synthesize monodisperse porous nanodiscs through confined molecular self-assembly of surfactants and ZnTPyP. The nanodiscs exhibit trimodal pores with fluorescent and crystalline wall structures, and are potentially important for sorption and separation, sensors, catalytic materials, electrode materials, etc.
C1 [Bai, Feng; Haddad, Raid E.; Sun, Zaicheng; Schmitt, Samantha K.; Fan, Hongyou] Univ New Mexico, Dept Chem & Nucl Engn, NSF Ctr Microengineered Mat, Albuquerque, NM 87131 USA.
[Wu, Huimeng; Fan, Hongyou] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA.
[Skocypec, Valerie R.] Arizona State Univ, Phoenix, AZ 85287 USA.
RP Fan, HY (reprint author), Univ New Mexico, Dept Chem & Nucl Engn, NSF Ctr Microengineered Mat, Albuquerque, NM 87131 USA.
EM hfan@sandia.gov
RI Sun, Zaicheng/B-5397-2012
OI Sun, Zaicheng/0000-0001-5277-5308
FU U.S. DOE office of science; Sandia National Laboratories; NSF EPSCOR;
NNIN; United States Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX We thank Constantine Khripin for his assistance with fluorescence
imaging. This work was supported by the U.S. DOE office of science BES
Program and the Sandia National Laboratories' LDRD program. TEM studies
were performed in the Department of Earth and Planetary Sciences at
University of New Mexico. We acknowledge the use of the SEM facility
supported by the NSF EPSCOR and NNIN grants. 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 22
TC 13
Z9 13
U1 6
U2 25
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 27
BP 4941
EP 4943
DI 10.1039/c002936j
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 618AG
UT WOS:000279322700024
PM 20517568
ER
PT J
AU Zhuang, WJ
Ma, SQ
Wang, XS
Yuan, DQ
Li, JR
Zhao, D
Zhou, HC
AF Zhuang, Wenjuan
Ma, Shengqian
Wang, Xi-Sen
Yuan, Daqiang
Li, Jian-Rong
Zhao, Dan
Zhou, Hong-Cai
TI Introduction of cavities up to 4 nm into a hierarchically-assembled
metal-organic framework using an angular, tetratopic ligand
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID BUILDING-BLOCKS SBBS; HYDROGEN STORAGE; SURFACE-AREA; COORDINATION
COPOLYMER; CATENATION ISOMERISM; CRYSTAL-STRUCTURE; CARBON MATERIALS;
ADSORPTION; SITES; POROSITY
AB Cavities up to 4 nm have been introduced into a hierarchically-assembled metal-organic framework by adopting an angular, semi-flexible tetratopic ligand. The resulting MOF possesses permanent porosity and exhibits stepwise sorption isotherms for O(2) and N(2) gases.
C1 [Zhuang, Wenjuan; Wang, Xi-Sen; Yuan, Daqiang; Li, Jian-Rong; Zhao, Dan; Zhou, Hong-Cai] Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA.
[Ma, Shengqian] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Zhou, HC (reprint author), Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA.
EM zhou@mail.chem.tamu.edu
RI Li, Jian-Rong (Jeff)/G-2781-2010; Zhuang, Wenjuan/G-2784-2010; Zhao,
Dan/D-5975-2011; wang, Xi-Sen/B-1102-2011; Ma, Shengqian/B-4022-2012;
Zhou, Hong-Cai/A-3009-2011; Yuan, Daqiang/F-5695-2010
OI Zhou, Hong-Cai/0000-0003-0115-408X; Zhao, Dan/0000-0002-4427-2150; Ma,
Shengqian/0000-0002-1897-7069; Zhou, Hong-Cai/0000-0002-9029-3788; Yuan,
Daqiang/0000-0003-4627-072X
FU U.S. Department of Energy [DE-FC36-07GO17033]; U.S. National Science
Foundation [CHE-0449634]; Argonne National Laboratory; National Science
Foundation/Department of Energy [CHE-0535644]; U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX This work was supported by the U.S. Department of Energy
(DE-FC36-07GO17033) and the U.S. National Science Foundation
(CHE-0449634). S. Ma acknowledges the Director's Postdoctoral Fellowship
from Argonne National Laboratory. The microcrystal diffraction of PCN-21
was carried out at the Advanced Photon Source on beamline 15ID-B of
ChemMatCARS Sector 15, which is principally supported by the National
Science Foundation/Department of Energy under grant number CHE-0535644.
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 Dr Yu-Sheng Chen for assistance
in single crystal X-ray experiments, Dr Theodore F. Baumann for
assistance in supercritical CO2 activation, and Dr Qian-Rong
Fang for discussion.
NR 45
TC 24
Z9 24
U1 2
U2 31
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 29
BP 5223
EP 5225
DI 10.1039/c0cc00779j
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 625QV
UT WOS:000279911000003
PM 20574568
ER
PT J
AU Kaehr, B
Brinker, CJ
AF Kaehr, Bryan
Brinker, C. Jeffrey
TI Using bacterial cell growth to template catalytic asymmetry
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID ESCHERICHIA-COLI; NANOPARTICLES; SHAPE; WALL
AB We report an approach to position gold nanoparticle catalysts for metal reduction asymmetrically on a biological template (E. coli) by exploiting the polarity of the bacterial cell envelope undergoing growth and division.
C1 [Kaehr, Bryan; Brinker, C. Jeffrey] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA.
[Brinker, C. Jeffrey] Univ New Mexico, Ctr Microengineered Mat, Albuquerque, NM 87131 USA.
[Brinker, C. Jeffrey] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA.
[Brinker, C. Jeffrey] Univ New Mexico, Dept Mol Genet & Microbiol, Albuquerque, NM 87131 USA.
RP Kaehr, B (reprint author), Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA.
EM bjkaehr@sandia.gov
FU U. S. DOE Office of Basic Energy Sciences; AFOSR [FA 9550-07-1-0054];
Sandia National Laboratories Truman Fellowship in National Security
Science and Engineering; Laboratory Directed Research and Development
program; Center for Integrated Nanotechnologies, a U. S. DOE
[DE-AC52-06NA25396]; Sandia National Laboratories; United States DOE's
NNSA [DE-AC04-94AL85000]
FX We thank Constantine Khripin and Darren Dunphy for useful discussions.
We acknowledge the U. S. DOE Office of Basic Energy Sciences and AFOSR
grant FA 9550-07-1-0054 for support. BK gratefully acknowledges the
Sandia National Laboratories Truman Fellowship in National Security
Science and Engineering and the Laboratory Directed Research and
Development program for support. This work was performed, in part, at
the Center for Integrated Nanotechnologies, a U. S. DOE user facility at
Los Alamos National Laboratory (Contract DE-AC52-06NA25396) and Sandia
National Laboratories. Sandia is a multiprogram laboratory operated by
Sandia Corporation, a Lockheed Martin Company, for the United States
DOE's NNSA under Contract DE-AC04-94AL85000.
NR 17
TC 5
Z9 5
U1 1
U2 11
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 29
BP 5268
EP 5270
DI 10.1039/c0cc00468e
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 625QV
UT WOS:000279911000017
PM 20544084
ER
PT J
AU Gu, ZG
Cai, YP
Fang, HC
Zhou, ZY
Thallapally, PK
Tian, JA
Liu, J
Exarhos, GJ
AF Gu, Zhi-Gang
Cai, Yue-Peng
Fang, Hua-Cai
Zhou, Zheng-Yuan
Thallapally, Praveen K.
Tian, Jian
Liu, Jun
Exarhos, Gregory J.
TI Conversion of nonporous helical cadmium organic framework to a porous
form
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SINGLE-CRYSTAL TRANSFORMATION; COORDINATION POLYMERS; SORPTION
PROPERTIES; CARBON; SEPARATION; MOLECULES; CHEMISTRY; LAYER;
CONSTRUCTION; NANOTUBES
AB Two novel cadmium-organic frameworks containing achiral helical nanotubular channels, [Cd(HImDC)(S)](n) (S = Im(1) and Py(2)), have been synthesized and characterized using single crystal X-ray diffraction, in which 1 converts to 2 upon refluxing 1 in pyridine solution with noticeable porosity and hydrogen uptake at medium pressure.
C1 [Gu, Zhi-Gang; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan] S China Normal Univ, Sch Chem & Environm,Minist Educ, Key Lab Technol Elect Energy Storage & Power Gene, Engn Res Ctr Mat & Technol Elect EnergyStorage, Guangzhou 510006, Guangdong, Peoples R China.
[Thallapally, Praveen K.; Tian, Jian; Liu, Jun; Exarhos, Gregory J.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
RP Cai, YP (reprint author), S China Normal Univ, Sch Chem & Environm,Minist Educ, Key Lab Technol Elect Energy Storage & Power Gene, Engn Res Ctr Mat & Technol Elect EnergyStorage, Guangzhou 510006, Guangdong, Peoples R China.
RI Tian, Jian/I-8637-2012; thallapally, praveen/I-5026-2014
OI thallapally, praveen/0000-0001-7814-4467
FU National Natural Science Foundation of China [20772037]; Science and
Technology Planning Project of Guangdong Province [2006A 10902002]; US
Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering [KC020105-FWP12152]; DOE
[DE-AC05-76RL01830]; [9251063101000006]; [06025033]
FX This work was supported by the National Natural Science Foundation of
China (No. 20772037), Science and Technology Planning Project of
Guangdong Province (Grant No. 2006A 10902002), and the Natural Science
Foundation of Guangdong Province (9251063101000006 and 06025033). PKT,
JL and GE thank the US Department of Energy, Office of Basic Energy
Sciences, Division of Materials Sciences and Engineering under Award
KC020105-FWP12152. PNNL is a multiprogram national laboratory operated
for DOE by Battelle under Contract DE-AC05-76RL01830
NR 54
TC 57
Z9 57
U1 1
U2 18
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 29
BP 5373
EP 5375
DI 10.1039/c0cc01042a
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 625QV
UT WOS:000279911000052
PM 20571703
ER
PT J
AU Chua, YS
Wu, GT
Xiong, ZT
Karkamkar, A
Guo, JP
Jian, MX
Wong, MW
Autrey, T
Chen, P
AF Chua, Yong Shen
Wu, Guotao
Xiong, Zhitao
Karkamkar, Abhi
Guo, Jianping
Jian, Mingxian
Wong, Ming Wah
Autrey, Thomas
Chen, Ping
TI Synthesis, structure and dehydrogenation of magnesium amidoborane
monoammoniate
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID HYDROGEN STORAGE MATERIAL; LITHIUM BOROHYDRIDE; AMMONIA-BORANE; SYSTEM
AB Magnesium amidoborane monoammoniate (Mg(NH(2)BH(3))(2)center dot NH(3)) which crystallizes in a monoclinic structure (space group P2(1)/a) has been synthesized by reacting MgNH with NH(3)BH(3). Dihydrogen bonds are established between coordinated NH(3) and BH(3) of [NH(2)BH(3)](-) in the structure, promoting stoichiometric conversion of NH(3) to H(2).
C1 [Wu, Guotao; Xiong, Zhitao; Guo, Jianping; Chen, Ping] Dalian Inst Chem Phys, Dalian 116023, Peoples R China.
[Chua, Yong Shen; Jian, Mingxian; Wong, Ming Wah] Natl Univ Singapore, Dept Chem, Singapore 117542, Singapore.
[Karkamkar, Abhi; Autrey, Thomas] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Wu, GT (reprint author), Dalian Inst Chem Phys, Dalian 116023, Peoples R China.
EM pchen@dicp.ac.cn
RI Chua, Yong Shen/J-3551-2016;
OI Yang, Shuman/0000-0002-9638-0890; Chua, Yong Shen/0000-0002-9207-5776
FU CAS [KGCX2-YW-806, KJCX2-YW-H21]; 863 project [2009AA05Z108]; 973
project [2010CB631304]; National University of Singapore; US DoE EERE
CHS CoE; US Department of Energy's Office of Biological and
Environmental Research and located at Pacific Northwest National
Laboratory
FX The authors acknowledge the financial support from the Hundred Talents
Project and Knowledge Innovation Project of CAS (KGCX2-YW-806 &
KJCX2-YW-H21), 863 project (2009AA05Z108), 973 project (2010CB631304)
and the scholarship from the National University of Singapore. The
authors wish to thank BL14B1 of Shanghai Synchrotron Radiation Facility
(SSRF) for collecting high-resolution synchrotron X-ray powder data. T.
A. and A. K. acknowledge support from US DoE EERE CHS CoE. The
high-field NMR experiments described here were carried out in the
Environmental Molecular Science Laboratory, a national scientific user
facility sponsored by the US Department of Energy's Office of Biological
and Environmental Research and located at Pacific Northwest National
Laboratory. The authors also appreciate beneficial discussions with
collaborators under IPHE project "Combination of Ammine Boranes with
MgH2 & LiNH2 for High Capacity Reversible Hydrogen
Storage''.
NR 15
TC 50
Z9 52
U1 1
U2 21
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 31
BP 5752
EP 5754
DI 10.1039/c0cc01260b
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 633PE
UT WOS:000280514500036
PM 20596578
ER
PT J
AU Taylor-Pashow, KML
Della Rocca, J
Huxford, RC
Lin, WB
AF Taylor-Pashow, Kathryn M. L.
Della Rocca, Joseph
Huxford, Rachel C.
Lin, Wenbin
TI Hybrid nanomaterials for biomedical applications
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; MODIFIED SILICA NANOPARTICLES; NANOSCALE
COORDINATION POLYMERS; RESPONSIVE CONTROLLED-RELEASE; SUPPORTED
LIPID-BILAYERS; CONTROLLED DRUG-DELIVERY; IN-VIVO; QUANTUM DOTS;
BIOLOGICAL APPLICATIONS; HYDROGEL NANOPARTICLES
AB Hybrid nanomaterials, composed of both inorganic and organic components, have recently been examined as promising platforms for imaging and therapeutic applications. This unique class of nanomaterials can not only retain beneficial features of both the inorganic and organic components, but also provides the ability to systematically tune the properties of the hybrid material through the combination of functional components. This feature article will summarize recent advances in the design and synthesis of hybrid nanomaterials and their applications in biological and biomedical areas. The hybrid nanomaterials to be discussed fall into two main categories, silica based materials and nanoscale metal-organic frameworks. Their applications as imaging contrast agents and nanotherapeutics will be highlighted.
C1 [Taylor-Pashow, Kathryn M. L.; Della Rocca, Joseph; Huxford, Rachel C.; Lin, Wenbin] Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA.
[Taylor-Pashow, Kathryn M. L.] Savannah River Natl Lab, Aiken, SC 29808 USA.
RP Lin, WB (reprint author), Univ N Carolina, Dept Chem, CB 3290, Chapel Hill, NC 27599 USA.
EM wlin@unc.edu
RI Lin, Wenbin/B-4151-2010
OI Lin, Wenbin/0000-0001-7035-7759
FU NIH; NSF
FX We would like to thank Dr Juan Vivero-Escoto for help with graphics. We
acknowledge funding support from NIH and NSF.
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PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 32
BP 5832
EP 5849
DI 10.1039/c002073g
PG 18
WC Chemistry, Multidisciplinary
SC Chemistry
GA 635LX
UT WOS:000280658300001
PM 20623072
ER
PT J
AU Ke, HS
Xu, GF
Guo, YN
Gamez, P
Beavers, CM
Teat, SJ
Tang, JK
AF Ke, Hongshan
Xu, Gong-Feng
Guo, Yun-Nan
Gamez, Patrick
Beavers, Christine M.
Teat, Simon J.
Tang, Jinkui
TI A linear tetranuclear dysprosium(III) compound showing single-molecule
magnet behaviour
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID ANISOTROPIC BARRIER; SLOW RELAXATION; LANTHANIDE ION; SPIN; AGGREGATE;
LIGAND; STATES
AB The asymmetric Cole-Cole plots observed in a remarkable linear Dy(III) compound suggests the occurrence of multiple relaxations most likely associated with distinct anisotropic centres, thus opening new avenues for investigating the relaxation dynamics of lanthanide aggregates.
C1 [Ke, Hongshan; Xu, Gong-Feng; Guo, Yun-Nan; Tang, Jinkui] Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Rare Earth Resource Utilizat, Changchun 130022, Peoples R China.
[Ke, Hongshan; Guo, Yun-Nan] Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China.
[Gamez, Patrick] Leiden Univ, Leiden Inst Chem, Gorlaeus Labs, NL-2300 RA Leiden, Netherlands.
[Gamez, Patrick] Univ Barcelona, Dept Quim Inorgan, E-08007 Barcelona, Spain.
[Beavers, Christine M.; Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA.
RP Tang, JK (reprint author), Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Rare Earth Resource Utilizat, Changchun 130022, Peoples R China.
EM tang@ciac.jl.cn
RI Beavers, Christine/C-3539-2009; Gamez, Patrick/B-3610-2012; Guo,
Yunnan/B-7492-2012; Tang, Jinkui/A-1830-2014; Guo, Yunnan/D-5976-2015
OI Beavers, Christine/0000-0001-8653-5513; Gamez,
Patrick/0000-0003-2602-9525; Tang, Jinkui/0000-0002-8600-7718;
FU National Natural Science Foundation of China [20871113, 20921002]
FX This work was supported by the National Natural Science Foundation of
China (20871113 and 20921002). 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 30
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U1 1
U2 21
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 33
BP 6057
EP 6059
DI 10.1039/c0cc01067g
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 638CI
UT WOS:000280868200008
PM 20657952
ER
PT J
AU Maye, MM
Gang, O
Cotlet, M
AF Maye, Mathew M.
Gang, Oleg
Cotlet, Mircea
TI Photoluminescence enhancement in CdSe/ZnS-DNA linked-Au nanoparticle
heterodimers probed by single molecule spectroscopy
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID FLUORESCENCE CORRELATION SPECTROSCOPY; POWER-LAW BEHAVIOR; QUANTUM DOTS;
BLINKING; STATES
AB Photoluminescence enhancement of up to 20 fold is demonstrated at the single molecule level for heterodimers composed of a core/shell CdSe/ZnS semiconductive quantum dot and a gold nanoparticle of 60 nm size separated by a 32 nm-long dsDNA linker when employing optical excitation at wavelengths near the surface plasmon resonance of the gold nanoparticle.
C1 [Maye, Mathew M.; Gang, Oleg; Cotlet, Mircea] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Gang, O (reprint author), Brookhaven Natl Lab, 735 Brookhaven Ave, Upton, NY 11973 USA.
EM ogang@bnl.gov; cotlet@bnl.gov
FU DOE [DE-AC02-98CH10886]
FX Work performed at the Center for Functional Nanomaterials of Brookhaven
National Laboratory, (DOE contract No. DE-AC02-98CH10886).
NR 21
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U2 54
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 33
BP 6111
EP 6113
DI 10.1039/c0cc00660b
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 638CI
UT WOS:000280868200026
PM 20657914
ER
PT J
AU Jiang, XM
Brinker, CJ
AF Jiang, Xingmao
Brinker, C. Jeffrey
TI Rigid templating of high surface-area, mesoporous, nanocrystalline
rutile using a polyether block amide copolymer template
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID MEMBRANES; FILMS; NANOPARTICLES; PERMEATION; SEPARATION; DIOXIDE;
TITANIA; SILICA; PORES; TICL4
AB Highly crystalline rutile with a specific surface area as high as 280 m(2) g(-1) and well-connected uniform mesoporosity has been synthesized by rigid templating using commercial, low-cost polyether block amide. This general, simple synthesis route for high surface-area mesoporous nanocrystalline oxides and nanocomposite membranes is important for catalysis, sensors, energy storage, solar cells, heavy metal removal and separations.
C1 [Jiang, Xingmao; Brinker, C. Jeffrey] Univ New Mexico, Ctr Microengineered Mat, Albuquerque, NM 87131 USA.
[Jiang, Xingmao] Lovelace Resp Res Inst, Aerosol & Resp Dosimetry Program, Albuquerque, NM 87108 USA.
[Brinker, C. Jeffrey] Sandia Natl Labs, Albuquerque, NM 87106 USA.
[Brinker, C. Jeffrey] Univ New Mexico, Dept Mol Genet, Albuquerque, NM 87131 USA.
[Brinker, C. Jeffrey] Univ New Mexico, Dept Microbiol, Albuquerque, NM 87131 USA.
RP Brinker, CJ (reprint author), Univ New Mexico, Ctr Microengineered Mat, Albuquerque, NM 87131 USA.
EM cjbrink@sandia.gov
RI jiang, xingmao /H-3554-2013
FU DOE Basic Energy Sciences [DE-FG02-02-ER15368]; DOE BES Division of
Materials Sciences and Engineering (Sandia National Laboratories);
National Science Foundation; Environmental Protection Agency [EF
0830117]
FX This work is supported by the DOE Basic Energy Sciences grant
DE-FG02-02-ER15368 (UNM) and the DOE BES Division of Materials Sciences
and Engineering (Sandia National Laboratories) and by the National
Science Foundation and the Environmental Protection Agency under
Cooperative Agreement Number EF 0830117. 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 30
TC 8
Z9 8
U1 2
U2 20
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 33
BP 6123
EP 6125
DI 10.1039/c0cc01394c
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 638CI
UT WOS:000280868200030
PM 20657931
ER
PT J
AU Yoo, H
Sharma, J
Yeh, HC
Martinez, JS
AF Yoo, Hyojong
Sharma, Jaswinder
Yeh, Hsin-Chih
Martinez, Jennifer S.
TI Solution-phase synthesis of Au fibers using rod-shaped micelles as shape
directing agents
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID DODECYL-SULFATE MICELLES; SEED-MEDIATED GROWTH; SILVER NANOWIRES;
SURFACTANT SOLUTIONS; GOLD NANORODS; NANOPARTICLES; TEMPLATE;
MICROEMULSIONS; MORPHOLOGY; PARTICLES
AB Au fibers with micron-scale lengths have been successfully prepared via a solution-phase synthetic method. Solubilization of salicylate ion into an aqueous CTAB solution forms rod-shaped micelles and becomes a key shape directing factor to generate one-dimensional Au structures.
C1 [Yoo, Hyojong; Sharma, Jaswinder; Yeh, Hsin-Chih; Martinez, Jennifer S.] Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87545 USA.
[Yoo, Hyojong] Hallym Univ, Dept Chem, Chunchon Si 200702, Gangwon Do, South Korea.
RP Martinez, JS (reprint author), Los Alamos Natl Lab, MPA CINT, Mail Stop K771, Los Alamos, NM 87545 USA.
EM hyojong@hallym.ac.kr; jenm@lanl.gov
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering; LANL LDRD; U.S. Department of
Energy, Office of Basic Energy Sciences [DE-AC52-06NA25396]; Sandia
National Laboratories [DE-AC04-94AL85000]
FX Research supported by the U.S. Department of Energy, Office of Basic
Energy Sciences, Division of Materials Sciences and Engineering (H.Y.)
and LANL LDRD Director's Postdoctoral Fellowship (J.S.). This work was
performed 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 34
TC 18
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U1 0
U2 16
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 36
BP 6813
EP 6815
DI 10.1039/c0cc02100h
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 647FX
UT WOS:000281604500053
PM 20714569
ER
PT J
AU Loukrakpam, R
Chang, P
Luo, J
Fang, B
Mott, D
Bae, IT
Naslund, HR
Engelhardd, MH
Zhong, CJ
AF Loukrakpam, Rameshwori
Chang, Paul
Luo, Jin
Fang, Bin
Mott, Derrick
Bae, In-Tae
Naslund, H. Richard
Engelhardd, Mark H.
Zhong, Chuan-Jian
TI Chromium-assisted synthesis of platinum nanocube electrocatalysts
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SHAPE-CONTROLLED SYNTHESIS; OXYGEN-REDUCTION; CONTROLLABLE SIZES;
CATALYTIC-ACTIVITY; POLYOL SYNTHESIS; FUEL-CELLS; NANOPARTICLES;
NANOCRYSTALS; PT(111); MONODISPERSE
AB This report demonstrates a novel strategy of chromium-assisted synthesis of platinum nanocubes as electrocatalysts for oxygen reduction reaction with enhanced specific activity.
C1 [Loukrakpam, Rameshwori; Chang, Paul; Luo, Jin; Fang, Bin; Mott, Derrick; Zhong, Chuan-Jian] SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA.
[Bae, In-Tae] S3IP Analyt & Diagnost Labs, Binghamton, NY 13902 USA.
[Naslund, H. Richard] SUNY Binghamton, Dept Geol, Binghamton, NY 13902 USA.
[Engelhardd, Mark H.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Zhong, CJ (reprint author), SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA.
EM cjzhong@binghamton.edu
RI Engelhard, Mark/F-1317-2010; Zhong, Chuan-Jian/D-3394-2013;
OI Engelhard, Mark/0000-0002-5543-0812
FU National Science Foundation [CBET 0709113, CHE 0848701]; DOE's Office of
Biological and Environmental Research at Pacific Northwest National
Laboratory
FX The research work was supported by the National Science Foundation (CBET
0709113, CHE 0848701). The XPS was performed using EMSL, a national
scientific user facility sponsored by DOE's Office of Biological and
Environmental Research located at Pacific Northwest National Laboratory.
NR 33
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U1 9
U2 36
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 38
BP 7184
EP 7186
DI 10.1039/c0cc01379j
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 652KI
UT WOS:000282004900028
PM 20733988
ER
PT J
AU Wu, G
Nelson, MA
Mack, NH
Ma, SG
Sekhar, P
Garzon, FH
Zelenay, P
AF Wu, Gang
Nelson, Mark A.
Mack, Nathan H.
Ma, Shuguo
Sekhar, Praveen
Garzon, Fernando H.
Zelenay, Piotr
TI Titanium dioxide-supported non-precious metal oxygen reduction
electrocatalyst
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID FUEL-CELLS; METHANOL ELECTROOXIDATION; CATALYST SUPPORT; CARBON;
ELECTROLYTE; TIO2
AB A new non-precious metal oxygen reduction catalyst was developed via heat treatment of in situ polymerized polyaniline onto TiO(2) particles in the presence of Fe species. The TiO(2) provides for improved performance relative to a carbon black-based catalyst and, at a high catalyst loading, allows for reducing the performance gap between non-precious-metal catalyst and Pt/C to ca. 20 mV in RDE testing.
C1 [Wu, Gang; Nelson, Mark A.; Sekhar, Praveen; Garzon, Fernando H.; Zelenay, Piotr] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
[Mack, Nathan H.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA.
[Ma, Shuguo] Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA.
RP Wu, G (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA.
EM wugang@lanl.gov; zelenay@lanl.gov
RI Wu, Gang/E-8536-2010
OI Wu, Gang/0000-0003-4956-5208
FU DOE
FX Financial support from the DOE-EERE Fuel Cell Technologies Program is
gratefully acknowledged.
NR 11
TC 71
Z9 73
U1 0
U2 53
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 40
BP 7489
EP 7491
DI 10.1039/c0cc03088k
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 658US
UT WOS:000282515500004
PM 20848022
ER
PT J
AU Zou, GF
Luo, HM
Zhang, YY
Xiong, J
Wei, QM
Zhuo, MJ
Zhai, JY
Wang, HY
Williams, D
Li, N
Bauer, E
Zhang, XH
McCleskey, TM
Li, YR
Burrell, AK
Jia, QX
AF Zou, Guifu
Luo, Hongmei
Zhang, Yingying
Xiong, Jie
Wei, Qiangmin
Zhuo, Mujin
Zhai, Junyi
Wang, Haiyan
Williams, Darrick
Li, Nan
Bauer, Eve
Zhang, Xinghang
McCleskey, Thomas M.
Li, Yanrong
Burrell, Anthony K.
Jia, Q. X.
TI A chemical solution approach for superconducting and hard epitaxial NbC
film
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID THIN-FILMS; NIOBIUM CARBIDE; DEPOSITION
AB Epitaxial NbC thin films were grown by a chemical solution technique, polymer assisted deposition. High quality epitaxial NbC film showed a transition temperature of 10 K and a hardness of 19.54 GPa.
C1 [Zou, Guifu; Zhang, Yingying; Xiong, Jie; Wei, Qiangmin; Zhuo, Mujin; Zhai, Junyi; Williams, Darrick; Bauer, Eve; McCleskey, Thomas M.; Burrell, Anthony K.; Jia, Q. X.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Luo, Hongmei] New Mexico State Univ, Las Cruces, NM 88003 USA.
[Wang, Haiyan; Li, Nan; Zhang, Xinghang] Texas A&M Univ, College Stn, TX 77843 USA.
[Li, Yanrong] Univ Elect Sci & Technol China, Chengdu 610054, Sichuan, Peoples R China.
RP Zou, GF (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM gfzou@lanl.gov; qxjia@lanl.gov
RI McCleskey, Thomas/J-4772-2012; Zhang, Xinghang/H-6764-2013; Zhai,
Junyi/K-4162-2014; Wang, Haiyan/P-3550-2014; Li, Nan /F-8459-2010;
Zhang, Yingying/A-7260-2009; Wei, Qiangmin/D-3931-2011; Jia, Q.
X./C-5194-2008; ZOU, GUIFU/C-8498-2011;
OI Zhang, Xinghang/0000-0002-8380-8667; Wang, Haiyan/0000-0002-7397-1209;
Li, Nan /0000-0002-8248-9027; Zhang, Yingying/0000-0002-8448-3059;
Mccleskey, Thomas/0000-0003-3750-3245
FU US Department of Energy; Center for Integrated Nantotechnologies (CINT)
FX We appreciate the support of the US Department of Energy through
LANL/LDRD program and the Center for Integrated Nantotechnologies (CINT)
for this work.
NR 25
TC 11
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U1 1
U2 23
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 41
BP 7837
EP 7839
DI 10.1039/c0cc01295e
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 661XE
UT WOS:000282765600053
PM 20830332
ER
PT J
AU Tiano, AL
Koenigsmann, C
Santulli, AC
Wong, SS
AF Tiano, Amanda L.
Koenigsmann, Christopher
Santulli, Alexander C.
Wong, Stanislaus S.
TI Solution-based synthetic strategies for one-dimensional metal-containing
nanostructures
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID MOLTEN-SALT SYNTHESIS; SOL-GEL PROCESS; VANADIUM-OXIDE NANOTUBES;
OPTICAL-ABSORPTION SPECTRA; ROOM-TEMPERATURE SYNTHESIS; MEDIUM
DIELECTRIC-CONSTANT; SHAPE-CONTROLLED SYNTHESIS; BIMETALLIC PAIR SITES;
HIGH-YIELD SYNTHESIS; MAGNETIC-PROPERTIES
AB One-dimensional (1D) nanostructures, such as nanowires, nanotubes, nanorods, and nanoribbons, have attracted significant attention stemming from the plethora of interesting size-dependent and, more importantly, structure-related properties resulting from confinement effects. In particular, the novel properties of 1D nanostructures of metals and metal oxides (binary and ternary) render them as prime candidates for a wide range of applications including the fabrication of nanoscale devices associated with solar cells, energy storage, fuel cells, molecular computing and information storage, medical imaging, diagnosis and detection, drug delivery, sensors and catalysis. Thus, it has been simultaneously necessary and critical to create synthetic protocols for the production of these materials which not only are reliable and reproducible, but also can generate compositionally pure, monodisperse, highly crystalline products of a desired 1D morphology. Solution-based methodologies have demonstrated significant advantages over other approaches, as they are facile, simple, flexible, 'green' by nature, and can be applied to a wide range of nanomaterials with diverse chemical compositions. Moreover, these methods can often be scaled so as to produce large quantities of products which are advantageous from an applications' standpoint. Herein, we present synthetic advances associated with solution-based approaches. Specifically solvothermal/hydrothermal, molten salt, electrospinning, template-directed, solution/one-pot, and sol-gel methodologies are discussed with the primary goal of achieving the reproducible synthesis of 1D motifs of metals, binary metal oxides, and ternary metal oxide systems.
C1 [Tiano, Amanda L.; Koenigsmann, Christopher; Santulli, Alexander C.; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
EM sswong@notes.cc.sunysb.edu
NR 334
TC 55
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U1 11
U2 124
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 43
BP 8093
EP 8130
DI 10.1039/c0cc01735c
PG 38
WC Chemistry, Multidisciplinary
SC Chemistry
GA 671IU
UT WOS:000283495500001
PM 20848017
ER
PT J
AU Bowden, M
Heldebrant, DJ
Karkamkar, A
Proffen, T
Schenter, GK
Autrey, T
AF Bowden, Mark
Heldebrant, David J.
Karkamkar, Abhi
Proffen, Thomas
Schenter, Gregory K.
Autrey, Tom
TI The diammoniate of diborane: crystal structure and hydrogen release
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID N-H COMPOUNDS; AMMONIA-BORANE; CHEMICAL EVIDENCE; THERMAL-DECOMPOSITION;
BOROHYDRIDE ION; LIQUID AMMONIA; CONSTITUTION; EVOLUTION; SPECTRUM;
HYDRIDES
AB [(NH(3))(2)BH(2)](+)[BH(4)](-) is formed from the room temperature decomposition of NH(4)(+)BH(4)(-), via a NH(3)BH(3) intermediate. Its crystal structure has been determined and contains disordered BH(4)(-) ions in 2 distinct sites. Hydrogen release is similar to that from NH(3)BH(3) but with faster kinetics.
C1 [Bowden, Mark; Heldebrant, David J.; Karkamkar, Abhi; Schenter, Gregory K.; Autrey, Tom] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Proffen, Thomas] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA.
RP Bowden, M (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM mark.bowden@pnl.gov; tom.autrey@pnl.gov
RI Lujan Center, LANL/G-4896-2012; Schenter, Gregory/I-7655-2014; Proffen,
Thomas/B-3585-2009
OI Schenter, Gregory/0000-0001-5444-5484; Proffen,
Thomas/0000-0002-1408-6031
FU US Department of Energy (DOE), Office of Basic Energy Sciences; DOE
Office of Biological and Environmental Research located at the Pacific
Northwest National Laboratory (PNNL); DOE, Office of Basic Energy
Sciences under DOE [DE-AC52-06NA25396]
FX We thank Profs Bill David, Sheldon Shore and Maciej Gutowski, and Dr
Herman Cho for valuable discussions. This work was supported by the US
Department of Energy (DOE), Office of Basic Energy Sciences, and was
performed in part at EMSL, a national scientific user facility sponsored
by the DOE Office of Biological and Environmental Research located at
the Pacific Northwest National Laboratory (PNNL). The Manuel Lujan Jr.
Center at the Los Alamos Neutron Scattering Center is funded by the DOE,
Office of Basic Energy Sciences and operated by Los Alamos National
Security LLC under DOE Contract DE-AC52-06NA25396. PNNL is operated by
Battelle for the DOE.
NR 35
TC 30
Z9 30
U1 0
U2 30
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 45
BP 8564
EP 8566
DI 10.1039/c0cc03249b
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 678IU
UT WOS:000284068100013
PM 20941402
ER
PT J
AU Koshkakaryan, G
Jiang, P
Altoe, V
Cao, D
Klivansky, LM
Zhang, Y
Chung, S
Katan, A
Martin, F
Salmeron, M
Ma, BW
Aloni, S
Liu, Y
AF Koshkakaryan, Gayane
Jiang, Peng
Altoe, Virginia
Cao, Dennis
Klivansky, Liana M.
Zhang, Yue
Chung, Sungwook
Katan, Allard
Martin, Florent
Salmeron, Miquel
Ma, Biwu
Aloni, Shaul
Liu, Yi
TI Multilayered nanofibers from stacks of single-molecular thick nanosheets
of hexakis(alkoxy)triphenylenes
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID HEXA-PERI-HEXABENZOCORONENES; DISCOTIC LIQUID-CRYSTALS; ATOMIC-FORCE
MICROSCOPY; FILMS; NANOSTRUCTURES; EXPLOSIVES
AB Symmetrically substituted hexakis(alkoxy)triphenylene (HAT) derivatives were assembled into single molecular thick 2D nanosheets, which stacked further to give multilayered nanofibers through a convenient solution process. Detailed information on molecular arrangement was unraveled by various imaging techniques and diffraction studies.
C1 [Koshkakaryan, Gayane; Jiang, Peng; Altoe, Virginia; Cao, Dennis; Klivansky, Liana M.; Zhang, Yue; Chung, Sungwook; Katan, Allard; Martin, Florent; Salmeron, Miquel; Ma, Biwu; Aloni, Shaul; Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Jiang, Peng; Katan, Allard; Martin, Florent; Salmeron, Miquel] Univ Calif Berkeley, Berkeley, CA USA.
RP Koshkakaryan, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM yliu@lbl.gov
RI Ma, Biwu/B-6943-2012; Chung, Sungwook/H-6248-2012; Liu, yi/A-3384-2008;
Cao, Dennis/C-2240-2013; Katan, Allard/B-9670-2008; Zhang,
Yue/D-5090-2013
OI Liu, yi/0000-0002-3954-6102; Cao, Dennis/0000-0002-0315-1619; Katan,
Allard/0000-0002-7185-6274;
FU Office of Science, Office of Basic Energy Sciences, of the U. S.
Department of Energy [DE-AC02-05 CH11231]
FX This work was performed at the Molecular Foundry, Lawrence Berkeley
National Laboratory, and was supported by the Office of Science, Office
of Basic Energy Sciences, of the U. S. Department of Energy under
contract No. DE-AC02-05 CH11231. We thank Dr Zhongqui Tan and Dr Yuegang
Zhang from Inorganic Facility, the Molecular Foundry for help on sample
characterizations.
NR 30
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U1 1
U2 10
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 45
BP 8579
EP 8581
DI 10.1039/c0cc03942j
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 678IU
UT WOS:000284068100018
PM 20972497
ER
PT J
AU Yang, JY
Chen, ST
Dougherty, WG
Kassel, WS
Bullock, RM
DuBois, DL
Raugei, S
Rousseau, R
Dupuis, M
DuBois, MR
AF Yang, Jenny Y.
Chen, Shentan
Dougherty, William G.
Kassel, W. Scott
Bullock, R. Morris
DuBois, Daniel L.
Raugei, Simone
Rousseau, Roger
Dupuis, Michel
DuBois, M. Rakowski
TI Hydrogen oxidation catalysis by a nickel diphosphine complex with
pendant tert-butyl amines
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID 2ND COORDINATION SPHERE; MOLECULAR CATALYSTS; H-2 PRODUCTION;
DIHYDROGEN; LIGANDS; COBALT; EVOLUTION; ANALOGS; BASES
AB A bis-diphosphine nickel complex with tert-butyl functionalized pendant amines [Ni(P(Cy)2N(2)(t-Bu))(2)](2+) has been synthesized. It is a highly active electrocatalyst for the oxidation of hydrogen in the presence of base. The turnover rate of 50 s(-1) under 1.0 atm H-2 at a potential of -0.77 V vs. the ferrocene couple is 5 times faster than the rate reported heretofore for any other synthetic molecular H-2 oxidation catalyst.
C1 [Yang, Jenny Y.; Chen, Shentan; Bullock, R. Morris; DuBois, Daniel L.; Raugei, Simone; Rousseau, Roger; Dupuis, Michel; DuBois, M. Rakowski] Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Div Chem & Mat Sci, Richland, WA 99352 USA.
[Dougherty, William G.; Kassel, W. Scott] Villanova Univ, Dept Chem, Villanova, PA 19085 USA.
RP Yang, JY (reprint author), Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Div Chem & Mat Sci, Richland, WA 99352 USA.
EM jenny.yang@pnl.gov
RI chen, shentan/H-4924-2011; Rousseau, Roger/C-3703-2014; Bullock, R.
Morris/L-6802-2016
OI Bullock, R. Morris/0000-0001-6306-4851
FU US Department of Energy, Office of Science, Office of Basic Energy
Sciences
FX This research was supported as part of the Center for Molecular
Electrocatalysis, an Energy Frontier Research Center funded by the US
Department of Energy, Office of Science, Office of Basic Energy
Sciences. Pacific Northwest National Laboratory is operated by Battelle
for the US Department of Energy. Computational resources were provided
by the Environmental Molecular Science Laboratory (EMSL) and the
National Energy Research Scientific Computing Center (NERSC) at Lawrence
Berkeley National Laboratory.
NR 36
TC 69
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U1 0
U2 26
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 45
BP 8618
EP 8620
DI 10.1039/c0cc03246h
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 678IU
UT WOS:000284068100031
PM 20938535
ER
PT J
AU Worsley, MA
Stadermann, M
Wang, YMM
Satcher, JH
Baumann, TF
AF Worsley, Marcus A.
Stadermann, Michael
Wang, Yinmin M.
Satcher, Joe H., Jr.
Baumann, Theodore F.
TI High surface area carbon aerogels as porous substrates for direct growth
of carbon nanotubes
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID MODIFIED ACTIVATED CARBON; HYDROGEN STORAGE; COMPOSITES; NANOFIBERS;
CATALYST; NANOARCHITECTURES; NANOCOMPOSITES; MORPHOLOGY; POROSITY
AB Novel carbon composites are fabricated through catalyzed CVD growth of carbon nanotubes directly on the inner surfaces of monolithic carbon aerogel (CA) substrates. Uniform CNT yield is obtained throughout the internal pore volume of CA monoliths with macroscopic dimensions. These composites possess large surface areas (> 1000 m(2) g(-1)) and exhibit enhanced electrical conductivity following CNT growth.
C1 [Worsley, Marcus A.; Stadermann, Michael; Wang, Yinmin M.; Satcher, Joe H., Jr.; Baumann, Theodore F.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA.
RP Baumann, TF (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, POB 5508, Livermore, CA 94550 USA.
EM baumann2@llnl.gov
RI Stadermann, Michael /A-5936-2012; Worsley, Marcus/G-2382-2014; Wang,
Yinmin (Morris)/F-2249-2010
OI Stadermann, Michael /0000-0001-8920-3581; Worsley,
Marcus/0000-0002-8012-7727; Wang, Yinmin (Morris)/0000-0002-7161-2034
FU U.S. Department of Energy [DE-AC52-07NA27344]; DOE Office of Energy
Efficiency and Renewable Energy
FX Work was performed under the auspices of the U.S. Department of Energy
by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344 and funded by the DOE Office of Energy Efficiency and
Renewable Energy.
NR 32
TC 15
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U1 7
U2 40
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 48
BP 9253
EP 9255
DI 10.1039/c0cc03457f
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA 687JJ
UT WOS:000284774500052
PM 21031189
ER
PT J
AU Kishan, MR
Tian, JA
Thallapally, PK
Fernandez, CA
Dalgarno, SJ
Warren, JE
McGrail, BP
Atwood, JL
Teat, SJ
AF Kishan, Motkuri Radha
Tian, Jian
Thallapally, Praveen K.
Fernandez, Carlos A.
Dalgarno, Scott J.
Warren, John E.
McGrail, B. Peter
Atwood, Jerry L.
Teat, Simon J.
TI Flexible metal-organic supramolecular isomers for gas separation (vol
46, pg 538, 2010)
SO CHEMICAL COMMUNICATIONS
LA English
DT Correction
C1 [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA.
RI Warren, John/B-5219-2008; Motkuri, Radha/F-1041-2014; thallapally,
praveen/I-5026-2014
OI Warren, John/0000-0002-8755-7981; Motkuri, Radha/0000-0002-2079-4798;
thallapally, praveen/0000-0001-7814-4467
NR 1
TC 2
Z9 2
U1 1
U2 5
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
J9 CHEM COMMUN
JI Chem. Commun.
PY 2010
VL 46
IS 48
BP 9259
EP 9259
PG 1
WC Chemistry, Multidisciplinary
SC Chemistry
GA 687JJ
UT WOS:000284774500055
ER
PT J
AU Chavez, J
Chung, WG
Miranda, CL
Singhal, M
Stevens, JF
Maier, CS
AF Chavez, Juan
Chung, Woon-Gye
Miranda, Cristobal L.
Singhal, Mudita
Stevens, Jan F.
Maier, Claudia S.
TI Site-Specific Protein Adducts of 4-Hydroxy-2(E)-Nonenal in Human THP-1
Monocytic Cells: Protein Carbonylation Is Diminished by Ascorbic Acid
SO CHEMICAL RESEARCH IN TOXICOLOGY
LA English
DT Article
ID TANDEM MASS-SPECTROMETRY; AMINOOXYMETHYLCARBONYLHYDRAZINO-D-BIOTIN;
LIPID-PEROXIDATION PRODUCTS; MILD COGNITIVE IMPAIRMENT; LOSS-DRIVEN MS3;
MITOCHONDRIAL PROTEINS; ALZHEIMERS-DISEASE; REACTIVE OXYGEN;
CARBONIC-ANHYDRASE; OXIDATIVE STRESS
AB The protein targets and sites of modification by 4-hydroxy-2(E)-nonenal (HNE) in human monocytic THP-1 cells after exogenous exposure to FINE were examined using a multipronged proteomic approach involving electrophoretic, immunoblotting, and mass spectrometric methods. Immunoblot analysis using monoclonal anti-HNE antibodies showed several proteins as targets of HNE adduction. Pretreatment of THP-1 cells with ascorbic acid resulted in reduced levels of HNE-protein adducts. Biotinylation of Michael-type HNE adducts using all aldehyde-reactive hydroxylamine-functionalized probe (aldchyde-reactive probe, ARP) and Subsequent enrichment facilitated the identification and site-specific assignment of the modifications by LC-MS/MS analysis. Sixteen proteins were unequivocally identified as targets of HNE adduction, and eighteen sites of HNE modification at Cys and His residues were assigned. FINE exposure of THP-1 cells resulted in the modification of proteins involved in cytoskeleton organization and regulation, proteins associated with stress responses, and enzymes of the glycolytic and other metabolic pathways. ThiS Study yielded the first evidence of site-specific adduction of HNE to Cys-295 in tubulin alpha-1B chain, Cys-351 and Cvs-499 in alpha-actinin-4, Cys-328 in vimentin, Cys-369 in D-3-phosphoglycerate dehydrogenase, and His-246 in aldolase A.
C1 [Chavez, Juan; Chung, Woon-Gye; Miranda, Cristobal L.; Maier, Claudia S.] Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA.
[Miranda, Cristobal L.; Stevens, Jan F.] Oregon State Univ, Linus Pauling Inst, Corvallis, OR 97331 USA.
[Miranda, Cristobal L.; Stevens, Jan F.] Oregon State Univ, Dept Pharmaceut Sci, Corvallis, OR 97331 USA.
[Singhal, Mudita] Pacific NW Natl Lab, Appl Comp Sci Grp, Richland, WA 99352 USA.
RP Maier, CS (reprint author), Oregon State Univ, Dept Chem, Gilbert Hall 153, Corvallis, OR 97331 USA.
EM claudia.maier@oregonstate.edu
OI Maier, Claudia S./0000-0003-0743-8956; Stevens, Jan
Frederik/0000-0002-6348-9347
FU NIH [R01HL081721, R01AG025372, P30ES00210]; U.S. Department of Energy
[DE-AC06-76RL01830]
FX We thank Brian Arbogast for technical assistance on the LTQ-FT
instrument. This study was Supported by NIH Grants R01HL081721 and
R01AG025372. We acknowledge the use Of the Mass Spectrometry Facility
and the Cell Culture Facility of Oregon State University's Environmental
Health Sciences Center(NIH Grant P30ES00210). PNNL is a multiprogram
national laboratory operated by Battelle for the U.S. Department of
Energy under Contract DE-AC06-76RL01830.
NR 55
TC 36
Z9 37
U1 1
U2 5
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0893-228X
J9 CHEM RES TOXICOL
JI Chem. Res. Toxicol.
PD JAN
PY 2010
VL 23
IS 1
BP 37
EP 47
DI 10.1021/tx9002462
PG 11
WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Toxicology
SC Pharmacology & Pharmacy; Chemistry; Toxicology
GA 543YU
UT WOS:000273618500006
PM 20043646
ER
PT J
AU Tainer, JA
AF Tainer, John A.
TI Envisioning Alkylated and Cross-Linked DNA Damaged Responses Controlling
Cell Death, Mutagensis, and Repair Outcomes
SO CHEMICAL RESEARCH IN TOXICOLOGY
LA English
DT Meeting Abstract
CT 238th American-Chemical-Society National Meeting
CY AUG 16-20, 2009
CL Washington, DC
SP Amer Chem Soc, Div Chem Toxicol, Amer Chem Soc, Env Chem Inc
C1 [Tainer, John A.] Lawrence Berkeley Lab, Skaggs Inst Chem Biol, San Diego, CA 92037 USA.
[Tainer, John A.] Scripps Res Inst, San Diego, CA 92037 USA.
EM jat@scripps.edu
NR 0
TC 0
Z9 0
U1 0
U2 0
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0893-228X
J9 CHEM RES TOXICOL
JI Chem. Res. Toxicol.
PD JAN
PY 2010
VL 23
IS 1
MA 103
BP 289
EP 289
PG 1
WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Toxicology
SC Pharmacology & Pharmacy; Chemistry; Toxicology
GA 543YU
UT WOS:000273618500134
ER
PT J
AU Henderson, PT
Li, T
He, MH
Jain, T
Malfatti, MA
Turteltaub, KW
Pan, CX
AF Henderson, Paul T.
Li, Tao
He, Miaoling
Jain, Teesta
Malfatti, Michael A.
Turteltaub, Kenneth W.
Pan, Chong-Xian
TI Toward Personalized Chemotherapeutics: Correlation of Carboplatin
Chemoresistance to Cellular Uptake, Drug Inactivation, DNA Damage, and
Repair Using Nontoxic Drug Doses
SO CHEMICAL RESEARCH IN TOXICOLOGY
LA English
DT Meeting Abstract
CT 238th American-Chemical-Society National Meeting
CY AUG 16-20, 2009
CL Washington, DC
SP Amer Chem Soc, Div Chem Toxicol, Amer Chem Soc, Env Chem Inc
C1 [Henderson, Paul T.; Li, Tao; He, Miaoling; Jain, Teesta; Pan, Chong-Xian] Univ Calif Davis, Dept Internal Med, Sch Med, Sacramento, CA 95817 USA.
[Malfatti, Michael A.; Turteltaub, Kenneth W.] Lawrence Livermore Natl Lab, Biol & Biotechnol Div, Livermore, CA 94550 USA.
EM paul.henderson@ucdmc.ucdavis.edu; teesta.jain@ucdmc.ucdavis.edu;
turteltaub2@llnl.gov; cxpan@ucdavis.edu
NR 0
TC 0
Z9 0
U1 0
U2 1
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0893-228X
J9 CHEM RES TOXICOL
JI Chem. Res. Toxicol.
PD JAN
PY 2010
VL 23
IS 1
MA 108
BP 290
EP 290
PG 1
WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Toxicology
SC Pharmacology & Pharmacy; Chemistry; Toxicology
GA 543YU
UT WOS:000273618500139
ER
PT J
AU Pan, CX
Li, T
He, ML
Jain, T
Malfatti, M
Turteltaub, KW
Henderson, PT
AF Pan, Chong-Xian
Li, Tao
He, Miaoling
Jain, Teesta
Malfatti, Michael
Turteltaub, Kenneth W.
Henderson, Paul T.
TI Preclinical Oxaliplatin Microdosing Studies for Personalized Medicine
Applications
SO CHEMICAL RESEARCH IN TOXICOLOGY
LA English
DT Meeting Abstract
CT 238th American-Chemical-Society National Meeting
CY AUG 16-20, 2009
CL Washington, DC
SP Amer Chem Soc, Div Chem Toxicol, Amer Chem Soc, Env Chem Inc
C1 [Pan, Chong-Xian; Li, Tao; He, Miaoling; Jain, Teesta; Henderson, Paul T.] Univ Calif Davis, Dept Internal Med, Sch Med, Sacramento, CA 95817 USA.
[Malfatti, Michael; Turteltaub, Kenneth W.] Lawrence Livermore Natl Lab, Biol & Biotechnol Div, Livermore, CA 94550 USA.
EM cxpan@ucdavis.edu; teesta.jain@ucdmc.ucdavis.edu; turteltaub2@llnl.gov;
paul.henderson@ucdmc.ucdavis.edu
NR 0
TC 0
Z9 0
U1 0
U2 1
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0893-228X
J9 CHEM RES TOXICOL
JI Chem. Res. Toxicol.
PD JAN
PY 2010
VL 23
IS 1
MA 109
BP 290
EP 290
PG 1
WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Toxicology
SC Pharmacology & Pharmacy; Chemistry; Toxicology
GA 543YU
UT WOS:000273618500140
ER
PT J
AU Talapin, DV
Lee, JS
Kovalenko, MV
Shevchenko, EV
AF Talapin, Dmitri V.
Lee, Jong-Soo
Kovalenko, Maksym V.
Shevchenko, Elena V.
TI Prospects of Colloidal Nanocrystals for Electronic and Optoelectronic
Applications
SO CHEMICAL REVIEWS
LA English
DT Review
ID LIGHT-EMITTING-DIODES; FIELD-EFFECT TRANSISTORS; HYBRID SOLAR-CELLS;
THIN-FILM TRANSISTORS; SHAPE-CONTROLLED SYNTHESIS; QUANTUM-DOT
SUPERLATTICES; MULTIPLE EXCITON GENERATION; CORE-SHELL NANOCRYSTALS;
ONE-POT SYNTHESIS; BINARY NANOPARTICLE SUPERLATTICES
C1 [Talapin, Dmitri V.; Lee, Jong-Soo; Kovalenko, Maksym V.] Univ Chicago, Dept Chem, Chicago, IL 60637 USA.
[Talapin, Dmitri V.; Shevchenko, Elena V.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Talapin, DV (reprint author), Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA.
EM dvtalapin@uchicago.edu
RI Kovalenko, Maksym/B-6844-2008; Lee, Jong-Soo /F-7461-2010
OI Kovalenko, Maksym/0000-0002-6396-8938; Lee, Jong-Soo
/0000-0002-3045-2206
FU NSF MRSEC Program [DMR-0213745]; NSF CAREER [DMR-0847535]; ACS Petroleum
Research Fund [48636-G10]; U.S. Department of Energy [DE-AC02-06CH11357]
FX We are deeply indebted to all of our colleagues and collaborators; their
names appear in the cited literature. Particularly, we thank P.
Guyot-Sionnest, H. Jaeger (University of Chicago), I. Beloborodov
(Argonne National Laboratory), W. Heiss (University of Linz), and C. B.
Murray (University of Pennsylvania) for stimulating discussions. We
thank M. Bodnarchuk for providing unpublished TEM images. D.V.T.
acknowledges support from the NSF MRSEC Program under Award Number
DMR-0213745, NSF CAREER under Award Number DMR-0847535, and ACS
Petroleum Research Fund under Award Number 48636-G10. The work at the
Center for Nanoscale Materials at Argonne National Laboratory was
supported by the U.S. Department of Energy under Contract No.
DE-AC02-06CH11357.
NR 678
TC 1771
Z9 1795
U1 185
U2 1451
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 JAN
PY 2010
VL 110
IS 1
BP 389
EP 458
DI 10.1021/cr900137k
PG 70
WC Chemistry, Multidisciplinary
SC Chemistry
GA 552AG
UT WOS:000274255700014
PM 19958036
ER
PT J
AU Hochbaum, AI
Yang, PD
AF Hochbaum, Allon I.
Yang, Peidong
TI Semiconductor Nanowires for Energy Conversion
SO CHEMICAL REVIEWS
LA English
DT Review
ID SENSITIZED SOLAR-CELLS; LITHIUM-ION-BATTERIES; THERMOELECTRIC
TRANSPORT-PROPERTIES; NANOCRYSTALLINE TIO2 FILMS; HETEROJUNCTION
PHOTOVOLTAIC CELLS; ARRAY PHOTOELECTROCHEMICAL CELLS; NANOSTRUCTURED ZNO
ELECTRODES; QUANTUM-WELL STRUCTURES; SOLID-STATE DEVICES; LONG CYCLE
LIFE
C1 [Hochbaum, Allon I.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Hochbaum, AI (reprint author), Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
EM hochbaum@seas.harvard.edu; p_yang@berkeley.edu
FU Office of Basic Science, Department of Energy; NSF; Miller Institute
FX The authors acknowledge the contributions of members of our research
group and collaborators on this nanowire energy conversion program. This
work was supported by the Office of Basic Science, Department of Energy.
P.Y. thanks the NSF for the A. T. Waterman Award and Miller Institute
for support.
NR 277
TC 763
Z9 776
U1 81
U2 909
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 JAN
PY 2010
VL 110
IS 1
BP 527
EP 546
DI 10.1021/cr900075v
PG 20
WC Chemistry, Multidisciplinary
SC Chemistry
GA 552AG
UT WOS:000274255700017
PM 19817361
ER
PT J
AU Garand, E
Yacovitch, TI
Zhou, J
Sheehan, SM
Neumark, DM
AF Garand, Etienne
Yacovitch, Tara I.
Zhou, Jia
Sheehan, Sean M.
Neumark, Daniel M.
TI Slow photoelectron velocity-map imaging of the CnH- (n=5-9) anions
SO CHEMICAL SCIENCE
LA English
DT Article
ID HIGHLY UNSATURATED-HYDROCARBONS; ELECTRONIC-ABSORPTION-SPECTRA;
AB-INITIO CHARACTERIZATION; GAS-PHASE; LABORATORY DETECTION;
NEGATIVE-IONS; PHOTODETACHMENT SPECTROSCOPY; CARBON CHAINS; NEON
MATRICES; IRC+10 216
AB High-resolution photoelectron spectra of the CnH- anions with n = 5-9 are acquired with slow electron velocity-map imaging (SEVI). Spectral features are assigned with the help of electronic structure calculations and Franck-Condon simulations. Well-resolved transitions to the linear (chi) over tilde (2)Pi and (a) over tilde (4)Sigma(-) neutral states are observed for species with an odd number of carbon atoms. For C6H- and C8H-, transitions to the (X) over tilde (2)Pi neutral ground state and the low lying (A) over cap (2)Sigma(+) excited state are observed. Precise electron affinities, term energies, fine structure splittings, and gas-phase vibrational frequencies are determined. The C5H-, C7H- and C9H- SEVI spectra are consistent with the anions having (X) over tilde (3)Sigma(-) linear triplet ground states.
C1 [Garand, Etienne; Yacovitch, Tara I.; Zhou, Jia; Sheehan, Sean M.; Neumark, Daniel M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Neumark, Daniel M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Neumark, DM (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM dneumark@berkeley.edu
RI Neumark, Daniel/B-9551-2009;
OI Neumark, Daniel/0000-0002-3762-9473; Garand, Etienne/0000-0001-5062-5453
FU Air Force Office of Scientific Research [F49620-03-1-0085]; National
Science and Engineering Research Council of Canada (NSERC)
FX This work was supported by the Air Force Office of Scientific Research
under Grant No. F49620-03-1-0085. E.G. and T.Y. both thank the National
Science and Engineering Research Council of Canada (NSERC) for a
postgraduate scholarship.
NR 78
TC 9
Z9 9
U1 3
U2 23
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
J9 CHEM SCI
JI Chem. Sci.
PY 2010
VL 1
IS 2
BP 192
EP 201
DI 10.1039/c0sc00164c
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA 645FJ
UT WOS:000281436100006
ER
PT S
AU Sekhar, PK
Brosha, EL
Mukundan, R
Farber, B
Garzon, FH
AF Sekhar, P. K.
Brosha, E. L.
Mukundan, R.
Farber, B.
Garzon, F. H.
BE Hunter, G
Aguilar, Z
Li, J
Davidson, JL
Shoji, S
Sundaram, KB
Hesketh, PJ
Carter, M
Simonian, A
Longdergan, A
Srinivasan, P
Vanysek, P
TI Statistical Investigation of a Novel Conditioning Method for Reliable
Detection of Exhaust Gas Components
SO CHEMICAL SENSORS 9 -AND- MEMS/NEMS 9
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Chemical Sensors 9 - Chemical and Biological Sensors and
Analytical Systems / Symposium on Microfabricated and Nanofabricated
Systems for MEMS/NEMS 9 held during the 218th Meeting of the
Electrochemical-Society (ECS)
CY OCT 10-15, 2010
CL Las Vegas, NV
SP Electrochem Soc, Sensor, Dielectr Sci & Technol, Phys & Analyt Electrochemistry, Elect & Photon
ID MIXED POTENTIAL SENSORS; OPTIMIZATION
AB The article reports on the statistical analysis of a new conditioning technique referred to as the pulsed discharge technique (PDT) with a view to understand the effect of PDT variables on potentiometric sensor response. In PDT, the sensor is energized through a series of positive and negative pulses between the electrodes with discharge phases in between. The sensor response is extracted from the discharge characteristics, which depends on the type of gas and its concentration. PDT variables include the pulse amplitude, pulse duration, and pause duration. In this study, a statistical investigation is carried out to derive an empirical model to correlate the sensor response to the PDT variables. Two sensor configurations based on Indium Tin Oxide (ITO) and Au were used as model systems.
The PDT variables were found to be statistically significant parameters affecting the senor response. A linear regression model was derived for both the sensor configurations. Absence of any interaction effects among PDT variables was observed. It is emphasized that this study has to be seen as an initial approach to establish an empirical relationship between PDT variables and the sensor response and requires electrochemical investigations to better understand the working principle of this technique.
C1 [Sekhar, P. K.; Brosha, E. L.; Mukundan, R.; Garzon, F. H.] Los Alamos Natl Lab, Sensors & Elect Devices Grp, Los Alamos, NM 87545 USA.
RP Sekhar, PK (reprint author), Los Alamos Natl Lab, Sensors & Elect Devices Grp, POB 1663, Los Alamos, NM 87545 USA.
OI Mukundan, Rangachary/0000-0002-5679-3930
NR 14
TC 0
Z9 0
U1 0
U2 1
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-60768-177-9; 978-1-56677-827-5
J9 ECS TRANSACTIONS
PY 2010
VL 33
IS 8
BP 101
EP 110
DI 10.1149/1.3484112
PG 10
WC Electrochemistry; Nanoscience & Nanotechnology; Remote Sensing
SC Electrochemistry; Science & Technology - Other Topics; Remote Sensing
GA BHG43
UT WOS:000325342000014
ER
PT J
AU Jewett, JC
Bertozzi, CR
AF Jewett, John C.
Bertozzi, Carolyn R.
TI Cu-free click cycloaddition reactions in chemical biology
SO CHEMICAL SOCIETY REVIEWS
LA English
DT Review
ID AZIDE-ALKYNE CYCLOADDITION; FREE TRIAZOLE FORMATION; COPPER-FREE;
1,3-DIPOLAR CYCLOADDITIONS; TERMINAL ALKYNES; LIVING CELLS;
CANCER-CELLS; CHEMISTRY; LIGATION; BIOCONJUGATION
AB Bioorthogonal chemical reactions are paving the way for new innovations in biology. These reactions possess extreme selectivity and biocompatibility, such that their participating reagents can form covalent bonds within richly functionalized biological systems-in some cases, living organisms. This tutorial review will summarize the history of this emerging field, as well as recent progress in the development and application of bioorthogonal copper-free click cycloaddition reactions.
C1 [Jewett, John C.; Bertozzi, Carolyn R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Bertozzi, Carolyn R.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
[Bertozzi, Carolyn R.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA.
[Bertozzi, Carolyn R.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Bertozzi, CR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM crb@berkeley.edu
FU Howard Hughes Medical Institute; NIGMS NIH HHS [R01 GM059907, R01
GM059907-10, R37 GM058867]
NR 46
TC 631
Z9 637
U1 62
U2 470
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0306-0012
J9 CHEM SOC REV
JI Chem. Soc. Rev.
PY 2010
VL 39
IS 4
BP 1272
EP 1279
DI 10.1039/b901970g
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA 572WJ
UT WOS:000275864500006
PM 20349533
ER
PT J
AU Park, CM
Kim, JH
Kim, H
Sohn, HJ
AF Park, Cheol-Min
Kim, Jae-Hun
Kim, Hansu
Sohn, Hun-Joon
TI Li-alloy based anode materials for Li secondary batteries
SO CHEMICAL SOCIETY REVIEWS
LA English
DT Review
ID LITHIUM-ION-BATTERIES; NEGATIVE-ELECTRODE MATERIALS; X-RAY-DIFFRACTION;
AMORPHOUS-SILICON MONOXIDE; TIN-BASED INTERMETALLICS; TRANSITION
METAL-CARBON; SOLID-STATE BATTERIES; CORE-SHELL NANOWIRES; THIN-FILM
ELECTRODES; SI-BASED COMPOSITES
AB Research to develop alternative electrode materials with high energy densities in Li-ion batteries has been actively pursued to satisfy the power demands for electronic devices and hybrid electric vehicles. This critical review focuses on anode materials composed of Group IV and V elements with their composites including Ag and Mg metals as well as transition metal oxides which have been intensively investigated. This critical review is devoted mainly to their electrochemical performances and reaction mechanisms (313 references).
C1 [Sohn, Hun-Joon] Seoul Natl Univ, Dept Mat Sci & Engn, Res Ctr Energy Convers & Storage, Seoul 151742, South Korea.
[Kim, Hansu] Samsung Elect, Samsung Adv Inst Technol, Energy Lab, Giheung 449712, Gyeonggi Do, South Korea.
[Kim, Jae-Hun] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA.
[Park, Cheol-Min] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Sohn, HJ (reprint author), Seoul Natl Univ, Dept Mat Sci & Engn, Res Ctr Energy Convers & Storage, Seoul 151742, South Korea.
EM hjsohn@snu.ac.kr
RI Kim, Hansu/F-5909-2013;
OI Kim, Hansu/0000-0001-9658-1687; Kim, Jae-Hun/0000-0001-6537-0350; Park,
Cheol-Min/0000-0001-8204-5760; Kim, Jae-Hun/0000-0002-4252-2590
NR 309
TC 607
Z9 615
U1 139
U2 990
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0306-0012
EI 1460-4744
J9 CHEM SOC REV
JI Chem. Soc. Rev.
PY 2010
VL 39
IS 8
BP 3115
EP 3141
DI 10.1039/b919877f
PG 27
WC Chemistry, Multidisciplinary
SC Chemistry
GA 629MZ
UT WOS:000280205200025
PM 20593097
ER
PT J
AU Custelcean, R
AF Custelcean, Radu
TI Anions in crystal engineering
SO CHEMICAL SOCIETY REVIEWS
LA English
DT Review
ID METAL-ORGANIC FRAMEWORKS; HELICAL COORDINATION POLYMERS;
HYDROGEN-BONDING GROUPS; SELECTIVE CRYSTALLIZATION; BUILDING-BLOCKS;
SEPARATION; NETWORKS; CAPSULES; CAVITIES; SYNTHONS
AB This tutorial review presents a current account of anions in crystal engineering, organized around two main questions: (i) how do anions influence and control crystal structures, and (ii) how do crystal environments recognize and select anions? The first part pertains to deliberate assembly of new crystalline materials using anionic components, by taking advantage of the strong and directional interactions of anions in the solid state. Along this line, the various structural roles of anions in crystals are examined. The second question is related to selective separation of anions by crystallization, by exploiting chemical recognition phenomena in the well-defined and highly structured environment inside crystals.
C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Custelcean, R (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM custelceanr@ornl.gov
RI Custelcean, Radu/C-1037-2009
OI Custelcean, Radu/0000-0002-0727-7972
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, U.S. Department of Energy
FX This research was sponsored by the Division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S.
Department of Energy.
NR 38
TC 111
Z9 111
U1 5
U2 47
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0306-0012
J9 CHEM SOC REV
JI Chem. Soc. Rev.
PY 2010
VL 39
IS 10
BP 3675
EP 3685
DI 10.1039/b926221k
PG 11
WC Chemistry, Multidisciplinary
SC Chemistry
GA 651ET
UT WOS:000281908600008
PM 20730155
ER
PT J
AU Hay, BP
AF Hay, Benjamin P.
TI De novo structure-based design of anion receptors
SO CHEMICAL SOCIETY REVIEWS
LA English
DT Review
ID MOLECULAR-FORCE FIELD; COMPUTER-AIDED-DESIGN; CONFORMATIONAL ENERGIES;
SYNTHETIC RECEPTORS; BINDING-PROPERTIES; OXOANION BINDING;
AQUEOUS-SOLUTION; RATIONAL DESIGN; CHIRAL LIGANDS; HYDROGEN-BONDS
AB This tutorial review presents an account of how de novo structure-based design methods have been used to facilitate the discovery of novel anion receptors formed by combination of hydrogen bond donor groups. Topics include the development of criteria needed for the design, how the input structures for each design were obtained, and subsequent use of molecular modeling to more accurately rank the initial list of candidates produced by the builder. The effectiveness of the design approach is illustrated in several cases where host molecules identified on the computer were subsequently synthesized and shown to function as efficient anion hosts.
C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Hay, BP (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM haybp@ornl.gov
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, US Department of Energy
FX This research was sponsored by the Division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences, US
Department of Energy.
NR 71
TC 59
Z9 59
U1 0
U2 26
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0306-0012
J9 CHEM SOC REV
JI Chem. Soc. Rev.
PY 2010
VL 39
IS 10
BP 3700
EP 3708
DI 10.1039/c0cs00075b
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA 651ET
UT WOS:000281908600010
PM 20820596
ER
PT J
AU Kim, H
Kosuda, KM
Van Duyne, RP
Stair, PC
AF Kim, Hacksung
Kosuda, Kathryn M.
Van Duyne, Richard P.
Stair, Peter C.
TI Resonance Raman and surface- and tip-enhanced Raman spectroscopy methods
to study solid catalysts and heterogeneous catalytic reactions
SO CHEMICAL SOCIETY REVIEWS
LA English
DT Review
ID SUPPORTED VANADIUM-OXIDE; SUM-FREQUENCY GENERATION; ATOMIC LAYER
DEPOSITION; DIFFUSE-REFLECTANCE SPECTROSCOPY; TRANSITION-METAL
INTERFACES; NEAR-INFRARED EXCITATION; ALKALINE-EARTH OXIDES; OXYGEN BOND
DISTANCES; SCCC-MO-CALCULATIONS; IN-SITU
AB Resonance Raman (RR) spectroscopy has several advantages over the normal Raman spectroscopy (RS) widely used for in situ characterization of solid catalysts and catalytic reactions. Compared with RS, RR can provide much higher sensitivity and selectivity in detecting catalytically-significant surface metal oxides. RR can potentially give useful information on the nature of excited states relevant to photocatalysis and on the anharmonic potential of the ground state. In this critical review a detailed discussion is presented on several types of RR experimental systems, three distinct sources of so-called Raman (fluorescence) background, detection limits for RR compared to other techniques (EXAFS, PM-IRAS, SFG), and three well-known methods to assign UV-vis absorption bands and a band-specific unified method that is derived mainly from RR results. In addition, the virtues and challenges of surface-enhanced Raman spectroscopy (SERS) are discussed for detecting molecular adsorbates at catalytically relevant interfaces. Tip-enhanced Raman spectroscopy (TERS), which is a combination of SERS and near-field scanning probe microscopy and has the capability of probing molecular adsorbates at specific catalytic sites with an enormous surface sensitivity and nanometre spatial resolution, is also reviewed (300 references).
C1 [Kim, Hacksung; Kosuda, Kathryn M.; Van Duyne, Richard P.; Stair, Peter C.] Northwestern Univ, Dept Chem, Ctr Catalysis & Surface Sci, Evanston, IL 60208 USA.
[Kim, Hacksung; Stair, Peter C.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Kim, H (reprint author), Northwestern Univ, Dept Chem, Ctr Catalysis & Surface Sci, Evanston, IL 60208 USA.
EM hskim@northwestern.edu; pstair@northwestern.edu
FU Chemical Sciences, Geosciences and Biosciences Division, Office of Basic
Energy Sciences, Office of Science, U.S. Department of Energy
[W-31-109-ENG-38, DE-FG02-03ER15457]; National Science Foundation
[CHE-0911145]
FX This work was supported by the Chemical Sciences, Geosciences and
Biosciences Division, Office of Basic Energy Sciences, Office of
Science, U.S. Department of Energy under Contract W-31-109-ENG-38 and
Grant DE-FG02-03ER15457 and by the National Science Foundation through
grant CHE-0911145.
NR 300
TC 134
Z9 137
U1 18
U2 247
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0306-0012
EI 1460-4744
J9 CHEM SOC REV
JI Chem. Soc. Rev.
PY 2010
VL 39
IS 12
BP 4820
EP 4844
DI 10.1039/c0cs00044b
PG 25
WC Chemistry, Multidisciplinary
SC Chemistry
GA 680WA
UT WOS:000284267000021
PM 20957272
ER
PT J
AU Mulfort, KL
Farha, OK
Malliakas, CD
Kanatzidis, MG
Hupp, JT
AF Mulfort, Karen L.
Farha, Omar K.
Malliakas, Christos D.
Kanatzidis, Mercouri G.
Hupp, Joseph T.
TI An Interpenetrated Framework Material with Hysteretic CO2 Uptake
SO CHEMISTRY-A EUROPEAN JOURNAL
LA English
DT Article
DE CO2 adsorption; dynamic structures; gated sorption; hysteresis;
metal-organic frameworks; porous materials
ID METAL-ORGANIC FRAMEWORK; POROUS COORDINATION-POLYMER; CARBON-DIOXIDE;
H-2 ADSORPTION; CRYSTAL-STRUCTURE; HYDROGEN; SORPTION; PHYSISORPTION;
SEPARATION; CHANNELS
AB A new, twofold interpenetrated metal-organic framework (MOF) material has been synthesized that demonstrates dramatic steps in the adsorption and hysteresis in the desorption of CO2 Measurement of the structure by powder X-ray diffraction (PXRD) and pair distribution function (PDF) analysis indicates that structural changes upon CO2 sorption most likely involve the interpenetrated frameworks moving with respect to each other.
C1 [Mulfort, Karen L.; Farha, Omar K.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Hupp, Joseph T.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Mulfort, Karen L.] Argonne Natl Lab, Div Chem Sci & Engn, Argonne, IL 60439 USA.
RP Hupp, JT (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
EM 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 Argonne National Laboratory; U.S. Dept. of Energy [DE-FG02-08ER15967];
Northwestern Nanoscale Science and Engineering Center; U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]; Midwest Universities Collaborative Access Team
(MUCAT); Ames Laboratory [W-7405-Eng-82]
FX We thank Dr. Matthias Thommes of Quantachrome, Inc. for valuable
discussions. We acknowledge Argonne National Laboratory (Lab-Grad
fellowship for K.L.M.), the U.S. Dept. of Energy's Office of Science
(grant no. DE-FG02-08ER15967), and the Northwestern Nanoscale Science
and Engineering Center for financial support of this research. Use of
the Advanced Photon Source (APS) was supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, under
Contract No. DE-AC02-06CH11357. The PDF work was conducted at the
Midwest Universities Collaborative Access Team (MUCAT) sector 6-ID-D at
the APS that is supported by the U.S. Department of Energy, Office of
Science. Office of Basic Energy Sciences, through the Ames Laboratory
under Contract No. W-7405-Eng-82.
NR 47
TC 122
Z9 122
U1 7
U2 59
PU WILEY-BLACKWELL
PI MALDEN
PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA
SN 0947-6539
J9 CHEM-EUR J
JI Chem.-Eur. J.
PY 2010
VL 16
IS 1
BP 276
EP 281
DI 10.1002/chem.200902104
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA 548ZA
UT WOS:000274007900033
PM 19918820
ER
PT J
AU Sponer, JE
Vazquez-Mayagoitia, A
Sumpter, BG
Leszczynski, J
Sponer, J
Otyepka, M
Banas, P
Fuentes-Cabrera, M
AF Sponer, Judit E.
Vazquez-Mayagoitia, Alvaro
Sumpter, Bobby G.
Leszczynski, Jerzy
Sponer, Jiri
Otyepka, Michal
Banas, Pavel
Fuentes-Cabrera, Miguel
TI Theoretical Studies on the Intermolecular Interactions of Potentially
Primordial Base-Pair Analogues
SO CHEMISTRY-A EUROPEAN JOURNAL
LA English
DT Article
DE ab initio calculations; base pairing; molecular dynamics; origin of
life; prebiotic chemistry
ID BASIS-SET CONVERGENCE; NUCLEIC-ACID BASES; PI-PI INTERACTIONS; B-DNA;
THERMODYNAMIC PARAMETERS; INFORMATIONAL OLIGOMERS; DISSOCIATION
CONSTANTS; ELECTRONIC-PROPERTIES; RECOGNITION ELEMENTS; STACKING
ENERGIES
AB Recent experimental studies on the Watson-Crick type base pairing of triazine and aminopyrimidine derivatives suggest that acid/base properties of the constituent bases might be related to the duplex stabilities measured in solution. Herein we use high-level quantum chemical calculations and molecular dynamics simulations to evaluate the base pairing and stacking interactions of seven selected base pairs, which are common in that they are stabilized by two N-H center dot center dot center dot O hydrogen bonds separated by one N-H center dot center dot center dot N hydrogen bond. We show that neither the base pairing nor the base stacking interaction energies correlate with the reported pK(a) data of the bases and the melting points of the duplexes. This suggests that the experimentally observed correlation between the melting point data of the duplexes and the pKa values of the constituent bases is not rooted in the intrinsic base pairing and stacking properties. The physical chemistry origin of the observed experimental correlation thus remains unexplained and requires further investigations. In addition, since out-calculations are carried out with extrapolation to the complete basis set of atomic orbitals and with inclusion of higher electron correlation effects, they provide reference data for stacking and base pairing energies of non-natural bases.
C1 [Sponer, Judit E.; Sponer, Jiri] Acad Sci Czech Republic, Inst Biophys, CS-61265 Brno, Czech Republic.
[Vazquez-Mayagoitia, Alvaro] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Sumpter, Bobby G.; Fuentes-Cabrera, Miguel] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
[Leszczynski, Jerzy] Jackson State Univ, Dept Chem, Computat Ctr Mol Struct & Interact, Jackson, MS 39217 USA.
[Otyepka, Michal; Banas, Pavel] Palacky Univ Olomouc, Fac Sci, Dept Phys Chem, Olomouc 77146, Czech Republic.
[Fuentes-Cabrera, Miguel] Univ Tennessee, Joint Inst Computat Sci, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Sponer, JE (reprint author), Acad Sci Czech Republic, Inst Biophys, Kralovopolska 135, CS-61265 Brno, Czech Republic.
EM judit@ncbr.chemi.muni.cz; sponer@ncbr.chemi.muni.cz;
fuentescabma@ornl.gov
RI Otyepka, Michal/D-1220-2017; Banas, Pavel/E-8074-2010; Otyepka,
Michal/A-5922-2008; Sponer, Jiri/D-9467-2012; Sponer, Judit/D-9918-2012;
Sumpter, Bobby/C-9459-2013; Vazquez-Mayagoitia, Alvaro/A-9755-2010;
Fuentes-Cabrera, Miguel/Q-2437-2015
OI Otyepka, Michal/0000-0002-1066-5677; Sumpter, Bobby/0000-0001-6341-0355;
Fuentes-Cabrera, Miguel/0000-0001-7912-7079
FU Ministry of Education of the Czech Republic [AVOZ50040507, AVOZ50040702,
MSM0021622413, LC06030, MSM6198959216, LC512]; Academy of Sciences of
the Czech Republic [1QS500040581, IAA400550701, IAA400040802,
203/09/1476, 203/09/H046]; U.S. Department of Energy (USDOE)
[DEAC02-05CH11231]; National Science Foundation
FX This work was supported by the Ministry of Education of the Czech
Republic (grant numbers AVOZ50040507, AVOZ50040702, MSM0021622413,
LC06030, MSM6198959216, LC512), by the Grant Agency of the Academy of
Sciences of the Czech Republic (grant numbers 1QS500040581, IAA400550701
and IAA400040802) and Grant Agency of the Czech Republic (grant numbers
203/09/1476 and 203/09/H046). Work at Oak Ridge National Laboratory
(ORNL) was supported by the Center for Nanophase Materials Sciences,
sponsored by the Division of Scientific User Facilities, U.S. Department
of Energy (USDOE) and used resources of the National Center for
Computational Sciences, ORNL, supported by the Office of Science, USDOE.
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. DEAC02-05CH11231. It also
used an allocation of advanced computing resources supported by the
National Science Foundation; these computations were performed on Kraken
(a Cray XT5) at the National Institute for Computational Sciences
(http://www.nics.tennessee.edu/). A.VM. thanks the financial support
provided by the USDOE, offices of Basic Energy Science and Advanced
Scientific Computing Research as part of the SciDac program. J.E.. and
J.. thank Zdenek Salvet for the maintenance of the computing facilities
of the Brno group.
NR 75
TC 9
Z9 9
U1 0
U2 17
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 0947-6539
EI 1521-3765
J9 CHEM-EUR J
JI Chem.-Eur. J.
PY 2010
VL 16
IS 10
BP 3057
EP 3065
DI 10.1002/chem.200902068
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA 573VM
UT WOS:000275943400013
PM 20119984
ER
PT J
AU Jiang, DE
Walter, M
Dai, S
AF Jiang, De-en
Walter, Michael
Dai, Sheng
TI Gold Sulfide Nanoclusters: A Unique Core-In-Cage Structure
SO CHEMISTRY-A EUROPEAN JOURNAL
LA English
DT Article
DE basin-hopping; cluster compounds; density functional calculations;
global minima; gold sulfides
ID TOTAL-ENERGY CALCULATIONS; THIOLATE-PROTECTED AU-38; SENSITIZED SOLAR
CELLS.; WAVE BASIS-SET; CRYSTAL-STRUCTURE; NANOCRYSTALS; CLUSTERS;
NANOPARTICLE; AU-25; TRANSITION
C1 [Jiang, De-en; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Walter, Michael] Univ Freiburg, Dept Phys, D-79106 Freiburg, Germany.
[Walter, Michael] Univ Freiburg, Freiburg Mat Res Ctr, D-79104 Freiburg, Germany.
RP Jiang, DE (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM jiangd@ornl.gov
RI Walter, Michael/D-7984-2011; Jiang, De-en/D-9529-2011; Dai,
Sheng/K-8411-2015
OI Walter, Michael/0000-0001-6679-2491; Jiang, De-en/0000-0001-5167-0731;
Dai, Sheng/0000-0002-8046-3931
FU Division of Chemical Sciences, Geo-sciences, and Biosciences, Office of
Basic Energy Sciences, U.S. Department of Energy [DE-AC05-00OR22725];
Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the Division of Chemical Sciences,
Geo-sciences, and Biosciences, Office of Basic Energy Sciences, U.S.
Department of Energy under contract no. DE-AC05-00OR22725 with
UT-Battelle, LLC. D.E.J. thanks Drs. R. C. Jim Z. K. Wu, and P. R. Kent
for helpful discussions. We also thank an anonymous reviewer for the
comments that have greatly improved this paper. 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 57
TC 27
Z9 28
U1 2
U2 36
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY
SN 0947-6539
J9 CHEM-EUR J
JI Chem.-Eur. J.
PY 2010
VL 16
IS 17
BP 4999
EP 5003
DI 10.1002/chem.201000327
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA 598CQ
UT WOS:000277810800006
PM 20349478
ER
PT J
AU Thimmaiah, S
Miller, GJ
AF Thimmaiah, Srinivasa
Miller, Gordon J.
TI On the Structural Chemistry of gamma-Brasses: Two Different
Interpenetrating Networks in Ternary F-Cell Pd-Zn-Al Phases
SO CHEMISTRY-A EUROPEAN JOURNAL
LA English
DT Article
DE cluster compounds; gamma brasses; Hume-Rothery compounds; ternary
phases; X-ray diffraction
ID HUME-ROTHERY PHASE; CRYSTAL-STRUCTURE; QUASI-CRYSTAL; DELTA-PHASE;
X-RAY; SYSTEM; ZINC; SUPERSTRUCTURE; APPROXIMANTS; CU5ZN8
AB Novel ternary phases, (Pd(1-x)Zn(x))(18)(Zn(1-y)Al(y))(86-delta) (0 <= x <= 0.162, 0.056 <= y <= 0.088, 0 <=delta <= 4), which adopt a superstructure of the gamma-brass type (called gamma'-brass), have been synthesized from the elements at 11120 K. Single-crystal X-ray structural analysis reveals a phase width (F (4) over bar 3m, a = 18.0700(3)-18.1600(2) angstrom, Pearson symbols cF400-cF416), which is associated with structural disorder based on both vacancies as well as mixed site occupancies. These structures are constructed of four independent 26-atom gamma-clusters per primitive unit cells and centered at the four special positions A (0, 0, 0), B (1/4, 1/4. 1/4), C (1/2, 1/2, 1/2) and D (3/4, 3/4, 3/4). Two of these, centered at B and C. are completely ordered Pd(4)Zn(22) clusters, whereas the other two, centered at A and D, contain all structural disorder in the system. According to our single-crystal X-ray results, Al substitutions are restricted to the A- and D-centered clusters. Moreover, the outer tetrahedron (OT) site of the 26-atom cluster at D is completely vacant at the Al-rich boundary of these phases. Electronic structure calculations, using the tight-binding linear muffin-tin orbital atomic-spheres approximation (TB-LMTO-ASA) method, on models of these new. ternary gamma'-brass phases indicate that the observed chemical compositions and atomic distributions lead to the presence of a pseudogap at the Fermi level in the electronic density of states curves, which is consistent with the Hume-Rothery interpretation of gamma-brasses. in general.
C1 [Miller, Gordon J.] Iowa State Univ, Ames, IA 50011 USA.
US DOE, Ames Lab, Ames, IA 50011 USA.
RP Miller, GJ (reprint author), Iowa State Univ, Ames, IA 50011 USA.
EM srini@iastate.edu; gmiller@iastate.edu
RI Thimmaiah, Srinivasa/H-1049-2012
FU U.S. Department of Energyby Iowa State University [DE-AC02-07CH11358];
Materials Sciences Division of the Office of Basic Energy Sciences of
the U.S. Department of Energy
FX This work was carried out at the Ames Laboratory, which is operated for
the U.S. Department of Energyby Iowa State University under contract no.
DE-AC02-07CH11358. This work was supported by the Materials Sciences
Division of the Office of Basic Energy Sciences of the U.S. Department
of Energy.
NR 58
TC 14
Z9 14
U1 0
U2 6
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY
SN 0947-6539
J9 CHEM-EUR J
JI Chem.-Eur. J.
PY 2010
VL 16
IS 18
BP 5461
EP 5471
DI 10.1002/chem.200903300
PG 11
WC Chemistry, Multidisciplinary
SC Chemistry
GA 600LX
UT WOS:000277988900028
PM 20373310
ER
PT J
AU Svendsen, H
Overgaard, J
Chevallier, MA
Collet, E
Chen, YS
Jensen, F
Iversen, BB
AF Svendsen, Helle
Overgaard, Jacob
Chevallier, Marie A.
Collet, Eric
Chen, Yu-Sheng
Jensen, Frank
Iversen, Bo B.
TI Photomagnetic Switching of Heterometallic Complexes
[M(dmf)(4)(H2O)(3)(mu-CN)Fe(CN)(5)]center dot H2O (M = Nd, La, Gd, Y)
Analyzed by Single-Crystal X-ray Diffraction and Ab Initio Theory
SO CHEMISTRY-A EUROPEAN JOURNAL
LA English
DT Article
DE charge transfer; heterometallic complexes; magnetic properties;
structure elucidation; X-ray diffraction
ID EXCITED-STATE STRUCTURE; COMPACT EFFECTIVE POTENTIALS; METASTABLE
LINKAGE ISOMERS; SULFUR-DIOXIDE COMPLEXES; EXPONENT BASIS-SETS;
PHOTOINDUCED MAGNETIZATION; SPLIT-VALENCE; PHOTOCRYSTALLOGRAPHY;
EFFICIENT; COMPOUND
AB Single-crystal X-ray diffraction measurements have been carried out on [Nd(dmf)(4)(H2O)(3)(mu-CN)Fe(CN)(5)]center dot H2O (1; dmf=dimethylformamide), [Nd(dmf)(4)(H2O)(3)(mu-CN)Co(CN)(5)]center dot H2O (2), [La(dmf)(4)-(H2O)(3)(mu-CN)Fe(CN)(5)]center dot H2O (3), [Gd(dmf)(4)(H2O)(3)(mu-CN)Fe(CN)(5)]center dot H2O (4), and [Y(dmf)(4)(H2O)(3)(mu-CN)Fe(CN)(5)]center dot H2O (5), at 15(2) K with and without UV illumination of the crystals. Significant changes in unit-cell parameters were observed for all the iron-containing complexes, whereas 2 showed no response to UV illumination. Photoexcited crystal structures have been determined for 1, 3, and 4 based on refinements of two-conformer models, and excited-state occupancies of 78.6(1), 84(6), and 86.6(7)% were reached, respectively. Significant bond-length changes were observed for the Fe ligand bonds (up to 0.19 angstrom), the cyano bonds (up to 0.09 angstrom), and the lanthanide ligand bonds (up to 0.10 angstrom). Ab initio theoretical calculations were carried out for the experimental ground-state geometry of 1 to understand the electronic structure changes upon UV illumination. The calculations suggest that UV illumination gives a charge transfer from the cyano groups on the iron atom to the lanthanide ion moiety, {Nd(dmf)(4)-(H2O)(3)}, with a distance of approximately 6 A from the iron atom. The charge transfer is accompanied by a reorganization of the spin state on the (Fe(CN)(6)} complex, and a change in geometry that produces a metastable charge-transfer state with an increased number of unpaired electrons, thus accounting for the observed photomagnetic effect.
C1 [Svendsen, Helle; Overgaard, Jacob; Chevallier, Marie A.; Jensen, Frank; Iversen, Bo B.] Univ Aarhus, Ctr Mat Crystallog, Dept Chem, DK-8000 Aarhus C, Denmark.
[Svendsen, Helle; Overgaard, Jacob; Chevallier, Marie A.; Jensen, Frank; Iversen, Bo B.] Univ Aarhus, iNANO, DK-8000 Aarhus C, Denmark.
[Collet, Eric] Univ Rennes 1, Inst Phys Rennes, UMR UR1, CNRS 6251, F-35000 Rennes, France.
[Chen, Yu-Sheng] Univ Chicago, ChemMatCARS Beam Line, Adv Photon Source, Argonne, IL 60439 USA.
RP Iversen, BB (reprint author), Univ Aarhus, Ctr Mat Crystallog, Dept Chem, DK-8000 Aarhus C, Denmark.
EM bo@chem.au.dk
RI Overgaard, Jacob/C-3519-2008; Collet, Eric/N-8816-2013; Jensen,
Frank/A-2809-2017
OI Collet, Eric/0000-0003-0810-7411; Jensen, Frank/0000-0002-4576-5838
FU Danish Center for Scientific Computation; Danish Natural Science
Research Council; Danish National Research Foundation
FX This work was supported by grants from the Danish Center for Scientific
Computation, the Danish Natural Science Research Council, and the Danish
National Research Foundation.
NR 51
TC 10
Z9 10
U1 2
U2 26
PU WILEY-BLACKWELL
PI MALDEN
PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA
SN 0947-6539
J9 CHEM-EUR J
JI Chem.-Eur. J.
PY 2010
VL 16
IS 24
BP 7215
EP 7223
DI 10.1002/chem.200902997
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA 624XU
UT WOS:000279856300021
PM 20461823
ER
PT J
AU Lebaeuf, D
Iannazzo, L
Geny, A
Malacria, M
Vollhardt, KPC
Aubert, C
Gandon, V
AF Lebaeuf, David
Iannazzo, Laura
Geny, Anais
Malacria, Max
Vollhardt, K. Peter C.
Aubert, Corinne
Gandon, Vincent
TI Cobalt-Mediated Linear 2:1 Co-oligomerization of Alkynes with Enol
Ethers to Give 1-Alkoxy-1,3,5-Trienes: A Missing Mode of Reactivity
SO CHEMISTRY-A EUROPEAN JOURNAL
LA English
DT Article
DE boron; C-H activation; cobalt; coupling reactions; electrocyclic
reactions
ID CATALYZED 2+2+2 CYCLOADDITION; MOLECULAR-ORBITAL METHODS; 3
UNSYMMETRICAL ALKYNES; BORON TEMPORARY TETHER; GAUSSIAN-TYPE BASIS; N-H
ACTIVATION; C-H; ORGANOBORON COMPOUNDS; ORGANIC-MOLECULES;
CYCLOTRIMERIZATION
AB A variety of 1,6-heptadiynes and certain borylalkynes co-oligomerize with enol ethers in the presence of [CpCo(C(2)H(4))(2)] (Cp=cyclopentadienyl) to furnish the hitherto elusive acyclic 2:1 products, 1,3,5-trien-1-ol ethers, in preference to or in competition with the alternative pathway that leads to the standard [2+2+2] cycloadducts, 5- alkoxy-1,3-cyclohexadienes. Minor variations, such as lengthening the diyne tether, cause reversion to the standard mechanism. The trienes, including synthetically potent borylated derivatives, are generated with excellent levels of chemo-, regio-, and diastereoselectivity, and are obtained directly by decomplexation of the crude mixtures during chromatography. The cyclohexadienes are isolated as the corresponding dehydroalkoxylated arenes. In one example, even ethene functions as a linear cotrimerization partner. The alkoxytrienes are thermally labile with respect to 6 pi-electrocyclization- elimination to give the same arenes that are the products of cycloaddition. The latter, regardless of the mechanism of their formation, can be viewed as the result of a formal [2+2+2] cyclization of the starting alkynes with acetylene. One-pot conditions for the exclusive formation of arenes are developed. DFT computations indicate that cyclohexadiene and triene formation share a common intermediate, a cobaltacycloheptadiene, from which reductive elimination and 3-hydride elimination compete.
C1 [Lebaeuf, David; Iannazzo, Laura; Geny, Anais; Malacria, Max; Aubert, Corinne] UPMC Univ Paris 06, IPCM, CNRS, UMR 7201, F-75005 Paris, France.
[Gandon, Vincent] Univ Paris 11, CNRS, UMR 8182, F-91405 Orsay, France.
[Vollhardt, K. Peter C.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Vollhardt, K. Peter C.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Aubert, C (reprint author), UPMC Univ Paris 06, IPCM, CNRS, UMR 7201, 4 Pl Jussieu, F-75005 Paris, France.
EM corinne.aubert@upmc.fr; vincent.gandon@u-psud.fr
RI Gandon, Vincent/C-1942-2014; leboeuf, david/O-1306-2013
OI Gandon, Vincent/0000-0003-1108-9410; leboeuf, david/0000-0001-5720-7609
FU UPMC; UPS; Ministere de la Recherche; CNRS; IUF; NSF [CHE 0907800]
FX We thank UPMC, UPS, the Ministere de la Recherche, CNRS, IUF, and the
NSF (CHE 0907800, K.P.C.V.) for financial support of this work.
Technical assistance (MS) was generously offered by ICSN (Gif sur
Yvette, France). We also thank Pierre Garcia for technical assistance
during the synthesis of [CpCo(C2H4)2].
Calculations were performed at CRIHAN, plan interregional du bassin
parisien (project 2006-013).
NR 77
TC 1
Z9 1
U1 4
U2 17
PU WILEY-BLACKWELL
PI MALDEN
PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA
SN 0947-6539
J9 CHEM-EUR J
JI Chem.-Eur. J.
PY 2010
VL 16
IS 29
BP 8904
EP 8913
DI 10.1002/chem.201000486
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA 640OL
UT WOS:000281060800040
ER
PT J
AU Lobo-Lapidus, RJ
Gates, BC
AF Lobo-Lapidus, Rodrigo J.
Gates, Bruce C.
TI Probing Surface Sites of TiO2: Reactions with [HRe(CO)(5)] and
[CH3Re(CO)(5)]
SO CHEMISTRY-A EUROPEAN JOURNAL
LA English
DT Article
DE EXAFS spectroscopy; IR spectroscopy; rhenium carbonyl complexes; surface
chemistry; titania
ID RAY-ABSORPTION-SPECTROSCOPY; INFRARED-SPECTRA; STRETCHING ABSORPTIONS;
METAL CARBONYLS; DEFECT SITES; COMPLEXES; CATALYSTS; CLUSTERS; ZEOLITES;
ANATASE
AB Two carbonyl complexes of rhenium, [HRe(CO)(5)] and [CH3Re(CO)(5)], were used to probe surface sites of TiO2 (anatase). These complexes were adsorbed from the gas phase onto anatase powder that had been treated in flowing O-2 or under vacuum to vary the density of surface OH sites. Infrared (IR) spectra demonstrate the variation in the number of sites, including Ti+3-OH and Ti+4-OH. IR and extended X-ray absorption fine structure (EXAFS) spectra show that chemisorption of the rhenium complexes led to their decarbonylation, with formation of surface-bound rhenium tricarbonyls, when [HRe(CO)(5)] was adsorbed, or rhenium tetracarbonyls, when [CH3Re(CO)(5)] was adsorbed. These reactions were accompanied by the formation of water and surface carbonates and removal of terminal hydroxyl groups associated with Ti+3 and Ti+4 ions on the anatase. Data characterizing the samples after adsorption of [HRe(CO)(5)] or [CH3Re(CO)(5)] determined a ranking of the reactivity of the surface OH sites, with the Ti+3-OH groups being the more reactive towards the rhenium complexes but the less likely to be dehydroxylated. The two rhenium pentacarbonyl probes provided complementary information, suggesting that the carbonate species originate from carbonyl ligands initially bonded to the rhenium and from hydroxyl groups of the titania surface, with the reaction leading to the formation of water and bridging hydroxyl groups on the titania. The results illustrate the value of using a family of organometallic complexes as probes of oxide surface sites.
C1 [Lobo-Lapidus, Rodrigo J.; Gates, Bruce C.] Univ Calif Davis, Davis, CA 95616 USA.
[Lobo-Lapidus, Rodrigo J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Gates, BC (reprint author), Univ Calif Davis, 1 Shields Ave, Davis, CA 95616 USA.
EM bcgates@ucdavis.edu
FU U.S. Department of Energy, Office of Energy Research, Basic Energy
Sciences [FG02-87ER15600, DE-AC02-98CH10886]; NSLS through Divisions of
Materials and Chemical Sciences of the DOE; Synchrotron Catalysis
Consortium [DE-FG02-05ER15688]
FX This research was supported by the U.S. Department of Energy, Office of
Energy Research, Basic Energy Sciences, Contract FG02-87ER15600.
Portions of the work were carried out at the NSLS, which is supported by
the U.S. Department of Energy, Office of Science, Basic Energy Sciences,
under Contract No. DE-AC02-98CH10886. Beam line X18-B is supported by
the NSLS, through the Divisions of Materials and Chemical Sciences of
the DOE, and the Synchrotron Catalysis Consortium (DE-FG02-05ER15688).
We thank the beam line staff for their assistance.
NR 51
TC 7
Z9 7
U1 2
U2 11
PU WILEY-BLACKWELL
PI MALDEN
PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA
SN 0947-6539
J9 CHEM-EUR J
JI Chem.-Eur. J.
PY 2010
VL 16
IS 37
BP 11386
EP 11398
DI 10.1002/chem.201000267
PG 13
WC Chemistry, Multidisciplinary
SC Chemistry
GA 669YQ
UT WOS:000283386600023
PM 20726017
ER
PT J
AU He, T
Wang, JH
Wu, GT
Kim, H
Proffen, T
Wu, AA
Li, W
Liu, T
Xiong, ZT
Wu, CZ
Chu, HL
Guo, JP
Autrey, T
Zhang, T
Chen, P
AF He, Teng
Wang, Junhu
Wu, Guotao
Kim, Hyunjeong
Proffen, Thomas
Wu, Anan
Li, Wen
Liu, Tao
Xiong, Zhitao
Wu, Chengzhang
Chu, Hailiang
Guo, Jianping
Autrey, Tom
Zhang, Tao
Chen, Ping
TI Growth of Crystalline Polyaminoborane through Catalytic Dehydrogenation
of Ammonia Borane on FeB Nanoalloy
SO CHEMISTRY-A EUROPEAN JOURNAL
LA English
DT Article
DE alloys; boranes; dehydrogenation; heterogeneous catalysis; nanoalloy
ID CHEMICAL HYDROGEN STORAGE; THERMAL-DECOMPOSITION; PATHWAYS; RELEASE; NMR
C1 [He, Teng; Wang, Junhu; Wu, Guotao; Xiong, Zhitao; Wu, Chengzhang; Chu, Hailiang; Guo, Jianping; Zhang, Tao; Chen, Ping] Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China.
[Kim, Hyunjeong; Proffen, Thomas] Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 USA.
[Wu, Anan] Xiamen Univ, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Fujian, Peoples R China.
[Li, Wen] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore.
[Liu, Tao] Karlsruhe Inst Technol, Inst Synchrotron Radiat, D-76344 Karlsruhe, Germany.
[Autrey, Tom] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Chen, P (reprint author), Chinese Acad Sci, Dalian Inst Chem Phys, 457 Zhongshan Rd, Dalian 116023, Peoples R China.
EM pchen@dicp.ac.cn
RI Chu, Hailiang/G-5393-2010; WU (wucz@shu.edu.cn), Chengzhang/A-9508-2010;
Lujan Center, LANL/G-4896-2012; SKL, PCOSS/D-4395-2013; Proffen,
Thomas/B-3585-2009;
OI Chu, Hailiang/0000-0003-3157-0957; Proffen, Thomas/0000-0002-1408-6031;
Yang, Shuman/0000-0002-9638-0890
FU CAS [KGCX2-YW-806, KJCX2-YW-H21, 2009AA05Z108, 2010CB631304]; US
Department of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX We would like to acknowledge the financial supports from the Hundred
Talents Project and Knowledge Innovation Program of CAS (KGCX2-YW-806
and KJCX2-YW-H21) 863 (2009AA05Z108) and 973 (2010CB631304) Project.
XAFS experiments were performed in Shanghai Synchrotron Radiation
Facility. Use of the Advanced Photon Source was supported by the US
Department of Energy, Office of Science, Office of Basic Energy
Sciences, under Contract No. DE-AC02-06CH11357. A. W. thanks
NSFC(20703033). T. A. thanks US DoE Office of Basic Energy Sciences. We
thank Drs. Heinekey and Goldberg (UW) for the generous gift of
crystalline PAB from Ir-catalyzed AB.
NR 38
TC 23
Z9 23
U1 3
U2 35
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.
PY 2010
VL 16
IS 43
BP 12814
EP 12817
DI 10.1002/chem.201001844
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA 678HE
UT WOS:000284063900008
PM 20938941
ER
PT J
AU Johnson, GE
Laskin, J
AF Johnson, Grant E.
Laskin, Julia
TI Preparation of Surface Organometallic Catalysts by Gas-Phase Ligand
Stripping and Reactive Landing of Mass-Selected Ions
SO CHEMISTRY-A EUROPEAN JOURNAL
LA English
DT Article
DE collision induced dissociation; heterogeneous catalysis; mass
spectrometry; organometallic complex; reactive landing
ID ASSEMBLED MONOLAYER SURFACES; HETEROGENEOUS CATALYSIS; OLEFIN
METATHESIS; PEPTIDE IONS; SOFT; CLUSTERS; IMMOBILIZATION; CHEMISTRY;
VACUUM
AB Organometallic complexes immobilized on surfaces combine the high selectivity of homogeneous catalysts with the ease of separation of catalyst from products attainable with heterogeneous catalysts. Here we report a novel approach for the highly controlled preparation of surface organometallic catalysts by gas-phase ligand stripping combined with reactive landing of mass-selected ions onto self-assembled monolayer surfaces. Collision-induced dissociation is used to generate highly reactive undercoordinated metal complexes in the gas-phase for subsequent surface immobilization. Complexes with an open coordination sell around the metal center are demonstrated to show enhanced activity towards reactive landing in comparison to fully ligated species. In situ TOF-SIMS analysis indicates that the immobilized complexes exhibit behavior consistent with catalytic activity when exposed to gaseous reagents.
C1 [Johnson, Grant E.; Laskin, Julia] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA.
RP Laskin, J (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, POB 999,MSIN K8-88, Richland, WA 99352 USA.
EM grant.johnson@pnl.gov; julia.laskin@pnl.gov
RI Laskin, Julia/H-9974-2012;
OI Laskin, Julia/0000-0002-4533-9644; Johnson, Grant/0000-0003-3352-4444
FU Chemical Sciences Division, Office of Basic Energy Sciences of the U.S.
Department of Energy (DOE); Pacific Northwest National Laboratory
(PNNL); U.S. DOE of Biological and Environmental Research and located at
PNNL
FX The authors acknowledge support for this research by a grant from the
Chemical Sciences Division, Office of Basic Energy Sciences of the U.S.
Department of Energy (DOE), and the Laboratory Directed Research and
Development Program at the Pacific Northwest National Laboratory (PNNL).
This work was performed at the W. R. Wiley Environmental Molecular
Sciences Laboratory (EMSL), a national scientific user facility
sponsored by the U.S. DOE of Biological and Environmental Research and
located at PNNL. PNNL is operated by Battelle for the U.S. DOE.
NR 29
TC 24
Z9 24
U1 2
U2 10
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY
SN 0947-6539
EI 1521-3765
J9 CHEM-EUR J
JI Chem.-Eur. J.
PY 2010
VL 16
IS 48
BP 14433
EP 14438
DI 10.1002/chem.201002292
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA 710BD
UT WOS:000286484800031
PM 21053218
ER
PT J
AU Cea, M
Seaman, JC
Jara, A
Mora, ML
Diez, MC
AF Cea, M.
Seaman, J. C.
Jara, A.
Mora, M. L.
Diez, M. C.
TI Kinetic and thermodynamic study of chlorophenol sorption in an
allophanic soil
SO CHEMOSPHERE
LA English
DT Article
DE Variable charge soil; Chlorophenols; Sorption; Kinetic; Thermodynamic
ID POTASSIUM ADSORPTION; AQUEOUS-SOLUTION; WASTE-WATER; PENTACHLOROPHENOL;
BEHAVIOR; REMOVAL; ENVIRONMENT; TRACERS; GREECE; PH
AB The sorption of 2,4-dichlorophenol, 2,4,6-trichlorophenol, and pentachlorophenol by a allophanic soil was studied in a series of batch experiments. Chlorophenol sorption behavior was evaluated as a function of reaction time (0-96 h) and input concentration at a fixed ionic strength (0.1 mol L(-1) KCl) at 25, 35, and 45 degrees C. Sorption results for the various reaction temperatures were used in calculating thermodynamic parameters. Chlorophenol sorption increased with temperature, suggesting an endothermic process. The Elovich equation was used to describe the kinetic data. Data from the isotherm experiments were described by the Triple-Layer Model in which monodentate outer- and inner-sphere complexes were formed between deprotonated organic molecules and active sites on the variable-charge soil. The calculated thermodynamic parameters suggest that chlorophenol sorption is a spontaneous (Delta G < 0), endothermic (Delta H > 0) and entropy-driven reaction (Delta S > 0). (C) 2009 Elsevier Ltd. All rights reserved.
C1 [Cea, M.; Jara, A.; Mora, M. L.] Univ La Frontera, Dept Ciencias Quim, Temuco, Chile.
[Seaman, J. C.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
[Diez, M. C.] Univ La Frontera, Dept Ingn Quim, Temuco, Chile.
RP Cea, M (reprint author), Univ La Frontera, Dept Ciencias Quim, POB 54-D, Temuco, Chile.
EM mcea@ufro.cl
RI Cea, Mara/D-5002-2011
FU Fondecyt [3080039, 1010529]; US Department of Energy
[DE-FC09-96-SR18546]
FX This work was supported by Fondecyt 3080039, Fondecyt 1010529, and Dr.
Seaman's participation in the current study was supported by the
Environmental Sciences Division of the Office of Biological and
Environmental Research, US Department of Energy through the Financial
Assistant Award No. DE-FC09-96-SR18546 to The University of Georgia
Research Foundation.
NR 42
TC 20
Z9 21
U1 4
U2 25
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0045-6535
J9 CHEMOSPHERE
JI Chemosphere
PD JAN
PY 2010
VL 78
IS 2
BP 86
EP 91
DI 10.1016/j.chemosphere.2009.10.040
PG 6
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA 534HW
UT WOS:000272888200002
PM 19910016
ER
PT J
AU Warner, CL
Addleman, RS
Cinson, AD
Droubay, TC
Engelhard, MH
Nash, MA
Yantasee, W
Warner, MG
AF Warner, Cynthia L.
Addleman, R. Shane
Cinson, Anthony D.
Droubay, Timothy C.
Engelhard, Mark H.
Nash, Michael A.
Yantasee, Wassana
Warner, Marvin G.
TI High-Performance, Superparamagnetic, Nanoparticle-Based Heavy Metal
Sorbents for Removal of Contaminants from Natural Waters
SO CHEMSUSCHEM
LA English
DT Article
DE heavy metals; iron; nanoparticles; sorbents; surface chemistry
ID SELF-ASSEMBLED MONOLAYERS; IRON-OXIDE NANOPARTICLES; MAGNETIC
NANO-ADSORBENT; AQUEOUS-SOLUTIONS; SURFACE MODIFICATION;
LIGAND-EXCHANGE; WASTE-WATER; ADSORPTION; IONS; NANOCRYSTALS
AB We describe the synthesis and characterization of high-performance, superparamagnetic, iron oxide nanoparticle-based, heavy metal sorbents, which demonstrate excellent affinity for the separation of heavy metals in contaminated water systems (i.e., spiked Columbia River water). The magnetic nanoparticle sorbents were prepared from an easy-to-synthesize iron oxide precursor, followed by a simple, one-step ligand exchange reaction to introduce an affinity ligand to the nanoparticle surface that is specific to a heavy metal or class of heavy metal contaminants. The engineered magnetic nanoparticle sorbents have inherently high active surface areas, allowing for increased binding capacities. To demonstrate the performance of the nanoparticle sorbents, river water was spiked with specific metals and exposed to low concentrations of the functionalized nanoparticles. In almost all cases, the nanoparticles were found to be superior to commercially available sorbent materials as well as the unfunctionalized iron oxide nanoparticles.
C1 [Warner, Cynthia L.; Addleman, R. Shane; Cinson, Anthony D.; Droubay, Timothy C.; Engelhard, Mark H.; Warner, Marvin G.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Nash, Michael A.] Univ Washington, Dept Bioengn, Seattle, WA 98195 USA.
[Yantasee, Wassana] Oregon Hlth & Sci Univ, Dept Biomed Engn, Portland, OR 97239 USA.
RP Warner, MG (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM marvin.warner@pnl.gov
RI Engelhard, Mark/F-1317-2010; Nash, Michael/A-4075-2013; Droubay,
Tim/D-5395-2016;
OI Droubay, Tim/0000-0002-8821-0322; Engelhard, Mark/0000-0002-5543-0812
FU NIH National Institute of Allergy and Infectious Diseases
[R01-A1080502]; ONAMI Safer Nano-materials Nanomanufacturing Initiative
(SNNI); PNNL's Laboratory Directed Research and Development; U.S.
Department of Energy [DE-AC06-67RLO 1830]
FX This work was supported by the NIH National Institute of Allergy and
Infectious Diseases (R01-A1080502), the ONAMI Safer Nano-materials
Nanomanufacturing Initiative (SNNI), and by thePNNL's Laboratory
Directed Research and Development. Parts of the work were conducted in
the Environmental Molecular Sciences Laboratory (EMSL), a DOE User
Facility operated by Battelle for the DOE Office of Biological and
Environmental Research. Pacific Northwest National Laboratory is
operated for the U.S. Department of Energy by Battelle under contract
DE-AC06-67RLO 1830.
NR 48
TC 51
Z9 52
U1 1
U2 47
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY
SN 1864-5631
J9 CHEMSUSCHEM
JI ChemSusChem
PY 2010
VL 3
IS 6
BP 749
EP 757
DI 10.1002/cssc.201000027
PG 9
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA 623PC
UT WOS:000279753300019
PM 20468024
ER
PT J
AU Arceo, E
Ellman, JA
Bergman, RG
AF Arceo, Elena
Ellman, Jonathan A.
Bergman, Robert G.
TI A Direct, Biomass-Based Synthesis of Benzoic Acid: Formic Acid-Mediated
Deoxygenation of the Glucose-Derived Materials Quinic Acid and Shikimic
Acid
SO CHEMSUSCHEM
LA English
DT Article
DE biomass; carboxylic acids; deoxygenation; renewable resources;
sustainable chemistry
ID BENZENE-FREE SYNTHESIS; PHENOL
C1 [Arceo, Elena] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Ellman, Jonathan A.; Bergman, Robert G.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Bergman, Robert G.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Arceo, E (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM jellman@berkeley.edu; rbergman@berkeley.edu
RI Ellman, Jonathan/C-7732-2013
FU Dow Chemical Co.; U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the Dow Chemical Co. and the U.S. Department
of Energy under Contract No. DE-AC02-05CH11231 (to R.G.B and J.A.E.).
NR 15
TC 14
Z9 15
U1 3
U2 24
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY
SN 1864-5631
J9 CHEMSUSCHEM
JI ChemSusChem
PY 2010
VL 3
IS 7
BP 811
EP 813
DI 10.1002/cssc.201000111
PG 3
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA 635LA
UT WOS:000280655600014
PM 20512802
ER
PT J
AU Alesi, WR
Gray, M
Kitchin, JR
AF Alesi, W. Richard, Jr.
Gray, McMahan
Kitchin, John R.
TI CO2 Adsorption on Supported Molecular Amidine Systems on Activated
Carbon
SO CHEMSUSCHEM
LA English
DT Article
DE amines; carbon; sorbents; sustainable chemistry; thermodynamics
ID FLUE-GAS; DIOXIDE CAPTURE; ADSORBENT; SORBENTS; DBU; FUNCTIONALIZATION;
SEPARATION; CAPACITY; SILICA; SBA-15
AB The CO2 capture capacities for typical flue gas capture and regeneration conditions of two tertiary amidine N-methyltetrahydropyrimidine (MTHP) derivatives supported on activated carbon were determined through temperature-controlled packed-bed reactor experiments. Adsorption-desorption experiments were conducted at initial adsorption temperatures ranging from 29 degrees C to 50 degrees C with temperature-programmed regeneration under an inert purge stream. In addition to the capture capacity of each amine, the efficiencies at which the amidines interact with CO2 were determined. Capture capacities were obtained for 1,5-diazo-bicyclo[4.3.0]non-5-ene (DBN) and 1,8-diazobicyclo[5.4.0]-undec-7-ene (DBU) supported on activated carbon at a loading of approximately 2.7 mol amidine per kg of sorbent. Moisture was found to be essential for CO2 capture on the amidines, but parasitic moisture sorption on the activated carbon ultimately limited the capture capacities. DBN was shown to have a higher capture capacity of 0.8 mol CO2 per kg of sorbent and an efficiency of 0.30 mol CO2 per mol of amidine at an adsorption temperature of 29 degrees C compared to DBU. The results of these experiments were then used in conjunction with a single-site adsorption model to derive the Gibbs free energy for the capture reaction, which can provide information about the suitability of the sorbent under different operating conditions.
C1 [Alesi, W. Richard, Jr.; Gray, McMahan; Kitchin, John R.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Alesi, W. Richard, Jr.; Gray, McMahan; Kitchin, John R.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA.
RP Alesi, WR (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA.
EM jkitchin@cmu.edu
RI Kitchin, John/A-2363-2010
OI Kitchin, John/0000-0003-2625-9232
FU National Energy Technology Laboratory's [DE-AC26-04NT41817]
FX This technical effort was performed in support of the National Energy
Technology Laboratory's ongoing research in CO2 Capture Under
the RDS contract DE-AC26-04NT41817.
NR 30
TC 20
Z9 20
U1 9
U2 38
PU WILEY-BLACKWELL
PI MALDEN
PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA
SN 1864-5631
J9 CHEMSUSCHEM
JI ChemSusChem
PY 2010
VL 3
IS 8
BP 948
EP 956
DI 10.1002/cssc.201000056
PG 9
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA 648AM
UT WOS:000281662400018
PM 20730982
ER
PT J
AU Baker, B
Diaz, H
Hargrove, W
Hoffman, F
AF Baker, Barry
Diaz, Henry
Hargrove, William
Hoffman, Forrest
TI Use of the Koppen-Trewartha climate classification to evaluate climatic
refugia in statistically derived ecoregions for the People's Republic of
China
SO CLIMATIC CHANGE
LA English
DT Article
ID TIBETAN PLATEAU; TERRESTRIAL ECOSYSTEMS; LIFE ZONES; MODEL;
DISTRIBUTIONS; VEGETATION; PRECIPITATION; SIMULATIONS; SCENARIOS; GROWTH
AB Changes in climate as projected by state-of-the-art climate models are likely to result in novel combinations of climate and topo-edaphic factors that will have substantial impacts on the distribution and persistence of natural vegetation and animal species. We have used multivariate techniques to quantify some of these changes; the method employed was the Multivariate Spatio-Temporal Clustering (MSTC) algorithm. We used the MSTC to quantitatively define ecoregions for the People's Republic of China for historical and projected future climates. Using the Koppen-Trewartha classification system we were able to quantify some of the temperature and precipitation relationships of the ecoregions. We then tested the hypothesis that impacts to environments will be lower for ecoregions that retain their approximate geographic locations. Our results showed that climate in 2050, as projected from anthropogenic forcings using the Hadley Centre HadCM3 general circulation model, were sufficient to create novel environmental conditions even where ecoregions remained spatially stable; cluster number was found to be of paramount importance in detecting novelty. Continental-scale analyses are generally able to locate potentially static ecoregions but they may be insufficient to define the position of those reserves at a grid cell-by-grid cell basis.
C1 [Baker, Barry] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA.
[Diaz, Henry] NOAA ESRL CIRES, Boulder, CO 80305 USA.
[Hargrove, William] US Forest Serv, Eastern Forest Threat Assessment Ctr, USDA, So Res Stn, Asheville, NC 28804 USA.
[Hoffman, Forrest] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
RP Baker, B (reprint author), Nat Conservancy Canyonlands Res Ctr, 820 Kane Creek Blvd,POB 1329, Moab, UT 84532 USA.
EM Barry.Baker@Colostate.edu; Henry.F.Diaz@noaa.gov; hnw@geobabble.org;
forrest@climatemodeling.org
RI Hoffman, Forrest/B-8667-2012
OI Hoffman, Forrest/0000-0001-5802-4134
NR 61
TC 26
Z9 28
U1 1
U2 20
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0165-0009
J9 CLIMATIC CHANGE
JI Clim. Change
PD JAN
PY 2010
VL 98
IS 1-2
BP 113
EP 131
DI 10.1007/s10584-009-9622-2
PG 19
WC Environmental Sciences; Meteorology & Atmospheric Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA 532WS
UT WOS:000272781700006
ER
PT S
AU Faden, J
Asnes, A
Friedel, R
Taylor, M
McCaffrey, S
Perry, C
Goldstein, ML
AF Faden, J.
Asnes, A.
Friedel, R.
Taylor, M.
McCaffrey, S.
Perry, C.
Goldstein, M. L.
BE Laakso, H
Taylor, MGT
Escoubet, CP
TI Cluster CAA Module for PaPCo
SO CLUSTER ACTIVE ARCHIVE: STUDYING THE EARTH'S SPACE PLASMA ENVIRONMENT
SE Astrophysics and Space Science Proceedings
LA English
DT Proceedings Paper
CT 15th Cluster Workshop
CY MAR 09-15, 2008
CL Canary Islands, SPAIN
AB A PaPCo module for visualization of data from the CAA has been developed. This module retrieves data from the CAA web interface, and allows for discovery and plotting of new datasets. PaPCo is modular, open source IDL software that uses plug-in modules to bring new datasets on to a stack of time series plots (www.papco.org). PaPCo includes modules for plotting data from Cluster/PEACE and Cluster/RAPID, CDA Web data which includes Cluster Prime Parameters, and various modules from CRRES, POLAR, GPS, and many other spacecraft. The Cluster CAA module is presented, as well as a brief description of PaPCo's use and installation procedure.
C1 [Faden, J.] Cottage Syst, Iowa City, IA USA.
[Asnes, A.; Taylor, M.; McCaffrey, S.] ESA, Estec, Noordwijk, Netherlands.
[Friedel, R.] Los Alamos Natl Labs, Los Alamos, NM USA.
[Goldstein, M. L.] Rutherford Appleton Lab, Didcot, Oxon, England.
[Goldstein, M. L.] NASA, GSFC, Greenbelt, MD USA.
RP Faden, J (reprint author), Cottage Syst, Iowa City, IA USA.
EM faden@cottagesystems.com; arneasnes@gmail.com; Taylor@esa.int
RI Goldstein, Melvyn/B-1724-2008; Friedel, Reiner/D-1410-2012
OI Friedel, Reiner/0000-0002-5228-0281
NR 0
TC 1
Z9 1
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 1570-6591
BN 978-90-481-3498-4
J9 ASTROPHYSICS SPACE
PY 2010
BP 249
EP +
DI 10.1007/978-90-481-3499-1_17
PG 2
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA BTY98
UT WOS:000288478600017
ER
PT S
AU Narita, Y
Glassmeier, KH
Gary, SP
Goldstein, ML
Treumann, RA
AF Narita, Y.
Glassmeier, K. -H.
Gary, S. P.
Goldstein, M. L.
Treumann, R. A.
BE Laakso, H
Taylor, MGT
Escoubet, CP
TI Wave Number Spectra in the Solar Wind, the Foreshock, and the
Magnetosheath
SO CLUSTER ACTIVE ARCHIVE: STUDYING THE EARTH'S SPACE PLASMA ENVIRONMENT
SE Astrophysics and Space Science Proceedings
LA English
DT Proceedings Paper
CT 15th Cluster Workshop
CY MAR 09-15, 2008
CL Canary Islands, SPAIN
ID TURBULENCE; CLUSTER; EVOLUTION
AB The three-component model of magnetic field fluctuations is applied to the analysis of the wave number spectra to study fluctuations in the solar wind, the foreshock, and the magnetosheath. The analysis exhibits a transition of the dominant fluctuation component from the solar wind to the magnetosheath, from the two-dimensional to the Alfvenic in the foreshock, and to the compressible component in the magnetosheath.
C1 [Narita, Y.; Glassmeier, K. -H.] Inst Geophys & Extraterr Phys, Mendelssohnstr 3, D-38106 Braunschweig, Germany.
[Gary, S. P.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Goldstein, M. L.] NASA, Goddard Space Flight Ctr, Geospace Phys Lab, Greenbelt, MD USA.
[Treumann, R. A.] Univ Munich, Geophys Sect, Dept Geosci, Munich, Germany.
RP Narita, Y (reprint author), Inst Geophys & Extraterr Phys, Mendelssohnstr 3, D-38106 Braunschweig, Germany.
EM y.narita@tu-bs.de
RI Goldstein, Melvyn/B-1724-2008
FU Bundesministerium furWirtschaft und Technologie; Deutsches Zentrum fur
Luft- und Raumfahrt, Germany [50OC0103]; Los Alamos National Laboratory
LDRD Program; NASA Solar and Heliospheric SRT Program
FX The work of YN and KHG in Braunschweig was supported by
Bundesministerium furWirtschaft und Technologie and Deutsches Zentrum
fur Luft- und Raumfahrt, Germany, under contract 50OC0103. We tha k H.
Reme and I. Dandouras for providing ion data of Cluster. The work of SPG
was supported by the Los Alamos National Laboratory LDRD Program and by
the NASA Solar and Heliospheric SR&T Program.
NR 14
TC 3
Z9 3
U1 0
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 1570-6591
BN 978-90-481-3498-4
J9 ASTROPHYSICS SPACE
PY 2010
BP 363
EP +
DI 10.1007/978-90-481-3499-1_24
PG 2
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA BTY98
UT WOS:000288478600024
ER
PT S
AU Bernard, R
Goutte, H
Gogny, D
Dubray, N
Lacroix, D
AF Bernard, R.
Goutte, H.
Gogny, D.
Dubray, N.
Lacroix, D.
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI First step towards a non-adiabatic description of the fission process
based on the Generator Coordinate Method
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
ID NUCLEAR-FISSION; DYNAMICS; U-238
AB Among the different theoretical approaches able to describe fission, microscopic ones can help us in the understanding of this process, as they have the advantage of describing the nuclear structure and the dynamics in a consistent manner. The sole input of the calculations is the nucleon-nucleon interaction. Such a microscopic time-dependent and quantum mechanical formalism has already been used, based on the Gaussian Overlap Approximation of the Generator Coordinate Method with the adiabatic approximation, to analyze the collective dynamics of low-energy fission in U-238 [1]. However, at higher energies, a few MeV above the barrier, the adiabatic approximation doesn't seem valid anymore. Indeed, manifestations of proton pair breaking have been observed in U-235 and U-239 for an excitation energy of 2.3 MeV above the barrier [2-4] Taking the intrinsic excitations into account during the fission process will enable us to determine the coupling between collective and intrinsic degrees of freedom, in particular from saddle to scission. Guidelines of the new formalism under development are presented and some preliminary results on overlaps between non excited and excited states are discussed.
C1 [Bernard, R.; Goutte, H.; Dubray, N.] CEA, DAM, DIF, F-91297 Arpajon, France.
[Gogny, D.] Sandia Natl Labs, Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Lacroix, D.] GANIL, CEA DSM, CNRS IN2P3, F-14076 Caen, France.
RP Bernard, R (reprint author), CEA, DAM, DIF, F-91297 Arpajon, France.
FU U.S Department of Energy by the Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX We thank C. Simenel and J-F. Berger for helpful discussions. This work
was in part performed under the Auspices of the U.S Department of Energy
by the Lawrence Livermore National Laboratory under Contract DE-AC52-
07NA27344.
NR 20
TC 0
Z9 0
U1 0
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 08002
DI 10.1051/epjconf/20100208002
PG 4
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100031
ER
PT S
AU Bouland, O
Lynn, JE
Talou, P
AF Bouland, Olivier
Lynn, J. Eric
Talou, Patrick
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI Recent Advances in Modeling Fission Cross Sections over Intermediate
Structures
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
ID NUCLEAR; ELEMENTS
AB More accurate fission cross section calculations in presence of underlying intermediate structure are strongly desired. This paper recalls the common approximations used below the fission threshold and quantifies their impact. In particular, an exact expanded R-matrix Monte Carlo calculation of the intermediate structure, deeply mixed with the fluctuations of the class-I and II decay amplitudes, is shown. This paper also insists on the microscopic structure of the level densities as a function of the nucleus deformation and show preliminary neutron induced fission cross section calculations for Pu-239 and Pu-240 using newly calculated combinatorial level densities. Comparisons with recent evaluated and measured fission cross sections are made.
C1 [Bouland, Olivier; Lynn, J. Eric; Talou, Patrick] Los Alamos Natl Lab, Div Theoret, Astrophys & Cosmol Grp, Los Alamos, NM 87545 USA.
RP Bouland, O (reprint author), Los Alamos Natl Lab, Div Theoret, Astrophys & Cosmol Grp, POB 1663, Los Alamos, NM 87545 USA.
EM obouland@lanl.gov
NR 16
TC 2
Z9 2
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 08001
DI 10.1051/epjconf/20100208001
PG 6
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100030
ER
PT S
AU Dietrich, FS
AF Dietrich, Frank S.
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI On the accuracy of techniques for determining neutron compound-nucleus
formation cross sections
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
AB We consider three methods for determining neutron nonelastic cross sections: direct measurement by transmission of neutrons through a spherical shell; subtraction of the angle-integrated elastic cross section from the total cross section; and a modification of the subtraction technique using Wick's limit that in favorable cases can significantly reduce the errors in the subtraction method. We show new results using the modified subtraction technique for nonelastic cross sections at 21.6 MeV neutron energy over a wide mass range, and discuss criteria that should be satisfied in order for the modified subtraction technique to be reliable.
C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Dietrich, FS (reprint author), Lawrence Livermore Natl Lab, L-414,POB 808, Livermore, CA 94551 USA.
EM fsdietrich@sbcglobal.net
NR 13
TC 0
Z9 0
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 01001
DI 10.1051/epjconf/20100201001
PG 4
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100001
ER
PT S
AU Escher, JE
Dietrich, FS
Scielzo, ND
AF Escher, Jutta E.
Dietrich, Frank S.
Scielzo, Nicholas D.
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI Neutron capture cross sections from Surrogate measurements
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
AB The prospects for determining cross sections for compound-nuclear neutron-capture reactions from Surrogate measurements are investigated. Calculations as well as experimental results are presented that test the Weisskopf-Ewing approximation, which is employed in most analyses of Surrogate data. It is concluded that, in general, one has to go beyond this approximation in order to obtain (n,gamma) cross sections of sufficient accuracy for most astrophysical and nuclear-energy applications.
C1 [Escher, Jutta E.; Dietrich, Frank S.; Scielzo, Nicholas D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Escher, JE (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM escher1@llnl.gov
RI Escher, Jutta/E-1965-2013
NR 17
TC 1
Z9 1
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 06001
DI 10.1051/epjconf/20100206001
PG 6
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100022
ER
PT S
AU Herman, M
Pigni, MT
Dietrich, FS
Oblozinsky, P
AF Herman, M.
Pigni, M. T.
Dietrich, F. S.
Oblozinsky, P.
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI Optical Model And Cross Section Uncertainties
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
ID SIMPLE RAMSAUER MODEL; NEUTRON
AB Distinct minima and maxima in the neutron total cross section uncertainties were observed in model calculations using spherical optical potential. We found this oscillating structure to be a general feature of quantum mechanical wave scattering. Specifically, we analyzed neutron interaction with Fe-56 from 1 keV up to 65 MeV, and investigated physical origin of the minima. We discuss their potential importance for practical applications as well as the implications for the uncertainties in total and absorption cross sections.
C1 [Herman, M.; Pigni, M. T.; Oblozinsky, P.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
[Dietrich, F. S.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94551 USA.
RP Herman, M (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
EM mwherman@bnl.gov
NR 7
TC 0
Z9 0
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 01005
DI 10.1051/epjconf/20100201005
PG 4
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100005
ER
PT S
AU Jurado, B
Kessedjian, G
Petit, M
Aiche, M
Barreau, G
Bidaud, A
Boyer, S
Carjan, N
Czajkowski, S
Dassie, D
Grosjean, C
Guiral, A
Haas, B
Karamanis, D
Mathieu, L
Misicu, S
Rizea, C
Santiamon, F
Audouin, L
Capellan, N
Tassan-Got, L
Wilson, JN
Andriamonje, S
Berthoumieux, E
Bouchez, E
Gunsing, F
Hurstel, A
Lecoz, Y
Lucas, R
Theisen, C
Serot, O
Bauge, E
Billebaud, A
Perrot, L
Ahmad, I
Greene, JP
Janssens, RVF
AF Jurado, B.
Kessedjian, G.
Petit, M.
Aiche, M.
Barreau, G.
Bidaud, A.
Boyer, S.
Carjan, N.
Czajkowski, S.
Dassie, D.
Grosjean, C.
Guiral, A.
Haas, B.
Karamanis, D.
Mathieu, L.
Misicu, S.
Rizea, C.
Santiamon, F.
Audouin, L.
Capellan, N.
Tassan-Got, L.
Wilson, J. N.
Andriamonje, S.
Berthoumieux, E.
Bouchez, E.
Gunsing, F.
Hurstel, A.
Lecoz, Y.
Lucas, R.
Theisen, Ch.
Serot, O.
Bauge, E.
Billebaud, A.
Perrot, L.
Ahmad, I.
Greene, J. P.
Janssens, R. V. F.
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI Neutron-induced fission cross sections of short-lived actinides with the
surrogate reaction method
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
ID NUCLEAR-FISSION; PA-233(N
AB We present a review of the fission cross section measurements made by the CENBG collaboration over the last years using the surrogate reaction method. For example the neutron-induced fission cross sections of Pa-233(T-1/2=27 d), Cm-242(T-1/2=162.8 d) and Cm-243(T-1/2=29.1 y) have been obtained by our group with this technique. The advantages and the difficulties of the surrogate method are discussed. Special attention is paid to the comparison between cross sections measured with the surrogate method and those obtained directly with neutrons at low energies. This comparison provides information on possible differences between the spin-parity distributions achieved in the two methods.
C1 [Jurado, B.; Kessedjian, G.; Petit, M.; Aiche, M.; Barreau, G.; Bidaud, A.; Boyer, S.; Carjan, N.; Czajkowski, S.; Dassie, D.; Grosjean, C.; Guiral, A.; Haas, B.; Karamanis, D.; Mathieu, L.; Misicu, S.; Rizea, C.; Santiamon, F.] CENBG, Chemin Solarium,BP 120, F-33175 Gradignan, France.
[Audouin, L.; Capellan, N.; Tassan-Got, L.; Wilson, J. N.] Univ Paris 11, CNRS IN2P3, IPN, F-91405 Orsay, France.
[Bouchez, E.; Gunsing, F.; Theisen, Ch.] CEA Saclay, DSM IRFU SPhN, F-91191 Gif Sur Yvette, France.
[Serot, O.] CEN Cadarache, DEN DER SPRC LEPh, F-13108 St Paul Les Durance, France.
[Bauge, E.] CEA, DAM, DIF, F-91297 Arpajon, France.
[Ahmad, I.; Greene, J. P.; Janssens, R. V. F.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
RP Jurado, B (reprint author), CENBG, Chemin Solarium,BP 120, F-33175 Gradignan, France.
EM jurado@cenbg.in2p3.fr
RI THEISEN, Christophe/A-9343-2015
OI THEISEN, Christophe/0000-0002-8509-1022
FU CNRS program PACEN/GEDEPEON; Conseil Regional d'Aquitaine, the US
Department of Energy [DEAC02-06CH11357]
FX This work was partly supported by the CNRS program PACEN/GEDEPEON, the
Conseil Regional dAquitaine, the US Department of Energy, Office of
Nuclear Physics, under contract DEAC02-06CH11357.
NR 23
TC 1
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U1 0
U2 2
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 06004
DI 10.1051/epjconf/20100206004
PG 6
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100025
ER
PT S
AU Kawano, T
Talou, P
Chadwick, MB
Watanabe, T
AF Kawano, T.
Talou, P.
Chadwick, M. B.
Watanabe, T.
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI Monte Carlo simulation for statistical Hauser-Feshbach theory
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
AB Monte Carlo simulations for particle and gamma-ray emissions from a compound nucleus based on the Hauser-Feshbach statistical theory are performed. The Monte Carlo method is applied to the neutron induced nuclear reactions on Fe-56, and the results are compared with a traditional deterministic method. The neutron and gamma-ray emission correlation is examined by gating on an 847 keV gamma-ray that is produced by an inelastic scattering process. The partial gamma-ray energy spectra for different gamma-ray multiplicities is inferred using this Monte Carlo method.
C1 [Kawano, T.; Talou, P.; Chadwick, M. B.; Watanabe, T.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Kawano, T (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM kawano@lanl.gov
NR 10
TC 0
Z9 0
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 09001
DI 10.1051/epjconf/20100209001
PG 4
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100035
ER
PT S
AU Koehler, PE
AF Koehler, P. E.
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI Reduced neutron widths in the nuclear data ensemble: Experiment and
theory do not agree
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
ID RESONANCE SPECTROSCOPY; LEVEL SPACINGS; MATRIX-ELEMENTS; FLUCTUATIONS;
TH-232
AB I have analyzed reduced neutron widths (Gamma(0)(n)) for the subset of 1245 resonances in the nuclear data ensemble (NDE) for which they have been reported. Random matrix theory (RMT) predicts for the Gaussian orthogonal ensemble (GOE) that these widths should follow a)(2 distribution having one degree of freedom (nu = 1) - the Porter Thomas (PT) distribution. Using the maximum-likelihood (ML) technique, I have determined that the Gamma(0)(n) values in the NDE are best described by a chi(2) distribution having nu = 0.801 +/- 0.052, which is 3.8 standard deviations smaller than predicted by RMT. I show that this striking disagreement is most likely due to the inclusion of significant p-wave contamination to the supposedly pure s-wave NDE. Furthermore, when an energy-dependent threshold is used to remove the p-wave contamination, ML analysis yields nu = 1.217 +/- 0.092 for the remaining data, still in poor agreement with the RMT prediction for the GOE. These results cast very serious doubt on claims that the NDE represents a striking confirmation of RMT.
C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
RP Koehler, PE (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
EM koehlerpe@ornl.gov
OI Koehler, Paul/0000-0002-6717-0771
NR 24
TC 3
Z9 3
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 05001
DI 10.1051/epjconf/20100205001
PG 6
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100017
ER
PT S
AU Larsen, AC
Agvaanluvsan, U
Bernstein, LA
Burger, A
Chankova, R
Goriely, S
Guttormsen, M
Lonnroth, T
Mitchell, GE
Nyhus, HT
Schiller, A
Siem, S
Syed, NUH
Toft, HK
Voinov, A
AF Larsen, A. C.
Agvaanluvsan, U.
Bernstein, L. A.
Burger, A.
Chankova, R.
Goriely, S.
Guttormsen, M.
Lonnroth, T.
Mitchell, G. E.
Nyhus, H. T.
Schiller, A.
Siem, S.
Syed, N. U. H.
Toft, H. K.
Voinov, A.
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI Soft structures of gamma-ray strength functions studied with the Oslo
method
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
ID GIANT DIPOLE RESONANCE; R-PROCESS; NUCLEOSYNTHESIS; NUCLEI; SN-124
AB We present experimental gamma-ray strength functions up to E-gamma similar to S-n measured at the Oslo Cyclotron Laboratory for several Sc, V, Mo, and Sn isotopes. For the lighter nuclei, an unexpected enhancement of the strength function at low gamma-ray energies has been revealed. This enhancement could potentially have an impact on neutron-capture cross sections for unstable, neutron-rich nuclei. For the Sn isotopes, we observe increased strength around the neutron separation energy S-n.
C1 [Larsen, A. C.; Burger, A.; Guttormsen, M.; Nyhus, H. T.; Siem, S.; Syed, N. U. H.; Toft, H. K.] Univ Oslo, Dept Phys, POB 1048, N-0316 Oslo, Norway.
[Agvaanluvsan, U.] Stanford Univ, Palo Alto, CA 94305 USA.
[Agvaanluvsan, U.] MonAme Sci Res Ctr, Ulaanbaatar, Mongol Peo Rep.
[Bernstein, L. A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Chankova, R.; Mitchell, G. E.] North Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA.
[Goriely, S.] Univ Libre Bruxelles, Inst Astron & Astrophys, B-1050 Brussels, Belgium.
[Nyhus, H. T.] Abo Akad Univ, Dept Phys, FIN-20500 Turku, Finland.
[Schiller, A.; Voinov, A.] Ohio Univ, Dept Phys, Athens, OH 45701 USA.
RP Larsen, AC (reprint author), Univ Oslo, Dept Phys, POB 1048, N-0316 Oslo, Norway.
EM a.c.larsen@fysuio.no
RI Larsen, Ann-Cecilie/C-8742-2014
OI Larsen, Ann-Cecilie/0000-0002-2188-3709
FU Norwegian Research Council; Department of Physics, University of Oslo
FX The authors wish to thank E. A. Olsen and J. Wikne for excellent
experimental conditions. Financial support from the Norwegian Research
Council and the Department of Physics, University of Oslo, is gratefully
acknowledged.
NR 23
TC 0
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U2 3
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 03001
DI 10.1051/epjconf/20100203001
PG 4
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100009
ER
PT S
AU Roig, O
Jandel, M
Vieira, DJ
Bond, EM
Bredeweg, TA
Couture, AJ
Daugas, JM
Haight, R
Keksis, AL
Meot, V
Morel, P
O'Donnell, JM
Rundberg, RS
Taylor, WA
Ullmann, JL
Wouters, JM
AF Roig, O.
Jandel, M.
Vieira, D. J.
Bond, E. M.
Bredeweg, T. A.
Couture, A. J.
Daugas, J-M.
Haight, R. C.
Keksis, A. L.
Meot, V.
Morel, P.
O'Donnell, J. M.
Rundberg, R. S.
Taylor, W. A.
Ullmann, J. L.
Wouters, J. M.
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI Neutron capture reactions on Lu isotopes at DANCE
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
ID SIMULATION
AB The DANCE (Detector for Advanced Neutron Capture Experiments) array located at the Los Alamos national laboratory has been used to obtain the neutron capture cross sections for the Lu-175 and Lu-176 isotopes with neutron energies from thermal up to 100 keV. Both isotopes are of current interest for the nucleosynthesis s-process in astrophysics and for applications as in reactor physics or in nuclear medicine. Three targets were used to perform these measurements. One was Lu-nat foil and the other two were isotope-enriched targets of Lu-175 and Lu-176. The cross sections are obtained for now through a precise neutron flux determination and a normalization at the thermal neutron cross section value. A comparison with the recent experimental data and the evaluated data of ENDF/B-VII.0 will be presented. In addition, resonances parameters and spin assignments for some resonances will be featured.
C1 [Roig, O.; Daugas, J-M.; Meot, V.; Morel, P.] CEA DAM DIF, F-91297 Arpajon, France.
[Roig, O.; Jandel, M.; Vieira, D. J.; Bond, E. M.; Bredeweg, T. A.; Couture, A. J.; Haight, R. C.; Keksis, A. L.; O'Donnell, J. M.; Rundberg, R. S.; Taylor, W. A.; Ullmann, J. L.; Wouters, J. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Roig, O (reprint author), CEA DAM DIF, F-91297 Arpajon, France.
EM olivier.roig@cea.fr
OI Bond, Evelyn/0000-0001-7335-4086
FU DOE Office of Basic Energy Sciences; Los Alamos National Laboratory;
Department of Energy [W-7405-ENG-36]
FX We would like to thank Milan Krticka of Charles University, Prague, for
his help in using the code DICEBOX. This work has benefited from the use
of the Lujan Center at the Los Alamos Neutron Science Center, funded by
the DOE Office of Basic Energy Sciences and Los Alamos National
Laboratory funded by the Department of Energy under contract
W-7405-ENG-36.
NR 17
TC 0
Z9 0
U1 1
U2 4
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 05003
DI 10.1051/epjconf/20100205003
PG 4
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100019
ER
PT S
AU Setoodehnia, K
Chen, AA
Chen, J
Clark, JA
Deibel, C
Kahl, D
Lennard, WN
Parker, PD
Wrede, C
AF Setoodehnia, Kiana
Chen, Alan A.
Chen, Jun
Clark, Jason A.
Deibel, Catherine
Kahl, David
Lennard, William N.
Parker, Peter D.
Wrede, Christopher
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI Study of astrophysically important resonant states in S-30 using the
S-32(p,t)S-30 reaction
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
AB A small fraction (< 1%) of presolar SiC grains is suggested to have been formed in the ejecta of classical novae. The P-29(p,gamma)S-30 reaction plays an important role in understanding the Si isotopic abundances in such grains, which in turn provide us with information on the nature of the probable white dwarf progenitor's core, as well as the peak temperatures achieved during nova outbursts, and thus the nova nucleosynthetic path. The P-29(p,gamma)S-30 reaction rate at nova temperatures is determined by two low-lying 3(+) and 2(+) resonances above the proton threshold at 4399 keV in S-30. Despite several experimental studies in the past, however, only one of these two states has only been observed very recently. We have studied the S-30 nuclear structure via the S-32(p,t)S-30 reaction at 5 laboratory angles between 9 degrees to 62 degrees. We have observed 14 states, eleven of which are above the proton threshold, including two levels at 4692.7 +/- 4.5 keV and 4813.8 +/- 3.4 keV that are candidates for the 3(+) and the previously "missing" 2(+) state, respectively.
C1 [Setoodehnia, Kiana; Chen, Alan A.; Chen, Jun; Kahl, David] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada.
[Clark, Jason A.; Deibel, Catherine] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
[Lennard, William N.] Univ Western Ontario, Dept Phys & Astron, London, ON N6A3K7, Canada.
[Parker, Peter D.] Yale Univ, Wright Nucl Structure Lab, New Haven, CT 06520 USA.
[Wrede, Christopher] Univ Washington, Dept Phys, Seattle, WA 98195 USA.
RP Setoodehnia, K (reprint author), McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada.
EM setoodk@mcmaster.ca
OI Chen, Jun/0000-0003-0447-7466
FU Natural Sciences and Engineering Research Council of Canada; e U.S.
Department of Energy [DE-FG02-91ER-40609, DEFG02-97ER-41020]
FX We wish to sincerely thank the staff of the Wright Nuclear Structure
Laboratory at Yale University and also Mr. Jack Hendriks from the
University of Western Ontario. This project was supported by Natural
Sciences and Engineering Research Council of Canada and the U.S.
Department of Energy under grants No. DE-FG02-91ER-40609 and No.
DEFG02-97ER-41020.
NR 9
TC 0
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U1 0
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 14005
DI 10.1051/epjconf/20100214005
PG 3
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100056
ER
PT S
AU Talou, P
Kawano, T
AF Talou, P.
Kawano, T.
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI Advanced Modeling of Prompt Fission Neutrons and Gamma Rays
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
ID U-235; SPECTRA
AB Prompt fission neutrons and gamma rays are computed using a Monte Carlo treatment of the statistical evaporation of the excited primary fission fragments. The assumption of two fragments in thermal equilibrium at the time of neutron emission is addressed by studying the neutron multiplicity as a function of fragment mass. Results for the neutron-induced fission of U-235 are discussed, for incident neutron energies from 0.5 to 5.5 MeV. Recent experimental data on the fission fragment yields as a function of mass and total kinetic energy are used as input data.
C1 [Talou, P.; Kawano, T.] Los Alamos Natl Lab, Div Theoret, Nucl Phys Grp, Los Alamos, NM 87545 USA.
RP Talou, P (reprint author), Los Alamos Natl Lab, Div Theoret, Nucl Phys Grp, Los Alamos, NM 87545 USA.
EM talou@lanl.gov
NR 13
TC 4
Z9 4
U1 0
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 08005
DI 10.1051/epjconf/20100208005
PG 4
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100034
ER
PT S
AU Watanabe, T
Kawano, T
Bonneau, L
AF Watanabe, Takehito
Kawano, Toshihiko
Bonneau, Ludovic
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI Calculation of direct-semidirect ra mdiative proton capture with
Skyrme-Hartree-Fock-BCSodel
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
ID CROSS-SECTIONS; DEFORMED-NUCLEI; SEMI-DIRECT; COUPLING INTERACTION;
GAMMA
AB We calculate the direct-semidirect (DSD) radiative proton capture cross section on Sn-112, Cu-63, and Bi-209 in the microscopic Hartree-Fock-BCS approach using the Skyrme interaction. Compared to the compound process, the DSD process becomes dominant in the proton capture reaction above ten and several MeV incident proton energies. We compare several particle-vibration coupling forms, which is sensitive to the semidirect cross section.
C1 [Watanabe, Takehito; Kawano, Toshihiko] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Bonneau, Ludovic] CENBG, Gradignan, France.
RP Watanabe, T (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM watanabe@lanl.gov
FU National Nuclear Security Administration of the U.S. Department of
Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]
FX This work was carried out under the auspices of the National Nuclear
Security Administration of the U.S. Department of Energy at Los Alamos
National Laboratory under contract No. DE-AC52-06NA25396.
NR 28
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U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 09002
DI 10.1051/epjconf/20100209002
PG 4
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100036
ER
PT S
AU Wilson, JN
Siem, S
Rose, SJ
Georgen, A
Gunsing, F
Jurado, B
Bernstein, L
AF Wilson, J. N.
Siem, S.
Rose, S. J.
Georgen, A.
Gunsing, F.
Jurado, B.
Bernstein, L.
BE Bonneau, L
Dubray, N
Gunsing, F
Jurado, B
TI Nuclear Data for Reactor Physics: Cross sections and level densities in
the actinide region
SO CNR '09: SECOND INTERNATIONAL WORKSHOP ON COMPOUND NUCLEAR REACTIONS AND
RELATED TOPICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Workshop on Compound Nuclear Reactions and Related
Topics
CY OCT 05-08, 2009
CL Bordeaux, FRANCE
SP Ctr Natl Rech Sci, Commissariat Energie Atom & Energies Alternat, Inst Phys Fondamentale, Inst Natl Phys Nucl & Phys Particules, Univ Bordeaux 1
ID TRANSFER-REACTION TH-232(HE-3; NEUTRON; PA-233(N; P)PA-234
AB Nuclear data in the actinide region are particularly important because they are basis behind all simulations of nuclear reactor core behaviour over both long time scales (fuel depletion and waste production) and short time scales (accident scenarios). Nuclear reaction cross sections must be known as precisely as possible so that core reaction rates can be accurately calculated. Although cross section measurements in this region have been widely performed, for certain nuclei, particularly those with short half lives, direct measurements are either very difficult or impossible and thus reactor simulations must rely on theoretical calculations or extrapolations from neighbouring nuclei. The greatest uncertainty in theoretical cross section calculations comes from the lack of knowledge of level densities, for which predicted values can often be incorrect by a factor of two or more. Therefore there is a strong case for a systematic experimental study of level densities in the actinide region for the purpose of a) providing a stringent test of theoretical cross section calculations for nuclei where experimental cross section data are available and b) for providing better estimations of cross sections for nuclei in which no cross section data are available.
C1 [Wilson, J. N.] Inst Phys Nucl, Bat 100,15 Rue G Clemenceau, F-91406 Orsay, France.
[Siem, S.; Rose, S. J.] Univ Oslo, NR-0317 Oslo, Norway.
[Georgen, A.; Gunsing, F.] IRFU, F-91191 Gif Sur Yvette, France.
[Jurado, B.] CENBG Bordeaux, Chemin Solarium Le Haut Vigneau, F-33175 Gradignan, France.
[Bernstein, L.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Wilson, JN (reprint author), Inst Phys Nucl, Bat 100,15 Rue G Clemenceau, F-91406 Orsay, France.
EM wilson@in2p3.fr
NR 11
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U1 1
U2 3
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0521-1
J9 EPJ WEB CONF
PY 2010
VL 2
AR 12001
DI 10.1051/epjconf/2010021200
PG 4
WC Physics, Nuclear
SC Physics
GA BAU68
UT WOS:000305542100047
ER
PT J
AU Ekstrom, JA
Lau, GT
Spiteri, DJ
Cheng, JCP
Law, KH
AF Ekstrom, Julia A.
Lau, Gloria T.
Spiteri, Daniel J.
Cheng, Jack C. P.
Law, Kincho H.
TI MINOE: A Software Tool to Analyze Ocean Management Efforts in the
Context of Ecosystems
SO COASTAL MANAGEMENT
LA English
DT Article
DE ecosystem-based management; gaps; governance; institutional analysis;
laws; policy analysis
ID LARGE MARINE ECOSYSTEMS; GOVERNANCE; IMPACTS; REGULATIONS; CHALLENGES;
RESOURCES; SERVICES; ECOPATH; ECOSIM
AB Transitioning ocean governance into an integrated ecosystem-based approach requires improved knowledge of existing governance arrangements. This article presents a software tool, MINOE, to assist policymakers, scientists, and others involved in ecosystem-based management initiatives to navigate through management documents as they relate to a user-defined ecosystem. The tool uses a conceptually modeled ecosystem, defined by the user, and text analysis of a set of management-related documents to determine which ecosystem linkages are potentially acknowledged in the documents. For illustration, the set of documents included with MINOE currently (and used to demonstrate the software in this article) are laws and regulations from four geopolitical jurisdictions for the year 2006; however, users may also import other documents for a more tailored application. Features include an interactive matrix containing results about the set of management documents within the user's scope and scale of interest. In addition, MINOE includes metrics and visualization tools to synthesize information derived from the documents. The article presents the software tool, describes potential uses for the tool, and ends with a discussion of future work to expand the program.
C1 [Ekstrom, Julia A.; Lau, Gloria T.; Spiteri, Daniel J.; Cheng, Jack C. P.; Law, Kincho H.] Stanford Univ, Engn Informat Grp, Dept Civil & Environm Engn, Stanford, CA 94305 USA.
[Ekstrom, Julia A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Cheng, Jack C. P.] Hong Kong Univ Sci & Technol, Dept Civil & Environm Engn, Hong Kong, Hong Kong, Peoples R China.
RP Ekstrom, JA (reprint author), Univ Calif Berkeley, Climate & Energy Policy Inst, 2850 Telegraph Ave,Suite 435 7220, Berkeley, CA 94705 USA.
EM jaekstrom@gmail.com
OI Cheng, Jack/0000-0002-1722-2617
FU David and Lucile Packard Foundation; National Science Foundation
[IIS-0811460]
FX Our thanks to the David and Lucile Packard Foundation (Ecosystem-Based
Management Tools Initiative Fund) for supporting this research. We are
grateful to those who tested MINOE in its beta version and provided
valuable feedback at other stages of the project. We also thank three
anonymous reviewers for their valuable feedback and suggestions. The
authors also acknowledge partial support by the National Science
Foundation grant IIS-0811460. Any opinions expressed in this article are
those of the authors and do not necessarily reflect the opinions of the
David and Lucile Packard Foundation and the National Science Foundation.
NR 50
TC 6
Z9 6
U1 1
U2 10
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA
SN 0892-0753
J9 COAST MANAGE
JI Coast. Manage.
PY 2010
VL 38
IS 5
BP 457
EP 473
DI 10.1080/08920753.2010.498400
PG 17
WC Environmental Sciences; Environmental Studies
SC Environmental Sciences & Ecology
GA 720XA
UT WOS:000287314800001
ER
PT J
AU Speed, A
AF Speed, Ann
TI Abstract relational categories, graded persistence, and prefrontal
cortical representation
SO COGNITIVE NEUROSCIENCE
LA English
DT Article
DE Analogy; Prefrontal cortex
ID ANTERIOR CINGULATE CORTEX; POSITRON-EMISSION-TOMOGRAPHY; SELF-GENERATED
INFORMATION; SOMATIC MARKER HYPOTHESIS; WORKING-MEMORY WORK; HUMAN
FRONTAL-LOBE; COGNITIVE CONTROL; VISUAL CATEGORIZATION; FRONTOPOLAR
CORTEX; DECISION-MAKING
AB Human behavior is characterized by creativity, flexibility, and adaptability. Psychologists have argued that this is a result of analogical reasoning processes. Neuroimaging studies point to PFC as a critical component of a larger network; however, it remains unclear how the brain accomplishes analogical reasoning. This paper presents a theory of prefrontal cortical function that attempts to explain the neural mechanisms of analogical processing in the context of the broader theoretical and empirical work on PFC. Specifically, the current paper proposes that neurons in PFC are particularly sensitive to relationship information, and that they develop response preferences for relationship information that increases in abstractness and complexity along the posterior-anterior axis. Further, this theory posits that representation formation in PFC is driven by frontostriatal circuits and that the persistence of these representations is determined by environmental consequences such that the longer the representation predicts reward or punishment, the longer the representation lasts. Finally, it is suggested that because analogy has been proposed as a core cognitive process, underlying many other interesting cognitive phenomena such as learning, creativity, and decision-making, it could serve as a useful tool for studying PFC function in general.
C1 Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Speed, A (reprint author), Sandia Natl Labs, POB 5800,MS1011, Albuquerque, NM 87185 USA.
EM aespeed@sandia.gov
FU Sandia National Laboratories
FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a
Lockheed Martin Company, for the United States Department of Energy's
National Nuclear Security Administration under Contract
DE-AC04-94AL85000. This work was funded wholly by Sandia National
Laboratories' Lab Directed Research and Development program, an internal
funding source.
NR 141
TC 11
Z9 11
U1 5
U2 10
PU PSYCHOLOGY PRESS
PI HOVE
PA 27 CHURCH RD, HOVE BN3 2FA, EAST SUSSEX, ENGLAND
SN 1758-8928
J9 COGN NEUROSCI
JI Cogn. Neurosci
PY 2010
VL 1
IS 2
BP 126
EP +
DI 10.1080/17588921003660728
PG 17
WC Neurosciences
SC Neurosciences & Neurology
GA 704TE
UT WOS:000286074500007
PM 24168279
ER
PT J
AU Speed, A
AF Speed, Ann
TI Architecture of PFC supports analogy, but PFC is not an analogy machine
SO COGNITIVE NEUROSCIENCE
LA English
DT Article
AB In the preceding discussion paper, I proposed a theory of prefrontal cortical organization that was fundamentally intended to address the question: How does prefrontal cortex (PFC) support the various functions for which it seems to be selectively recruited? In so doing, I chose to focus on a particular function, analogy, that seems to have been largely ignored in the theoretical treatments of PFC, but that does underlie many other cognitive functions (Hofstadter, 2001; Holyoak & Thagard, 1997). At its core, this paper was intended to use analogy as a foundation for exploring one possibility for prefrontal function in general, although it is easy to see how the analogy-specific interpretation arises (as in the comment by Ibanez). In an attempt to address this more foundational question, this response will step away from analogy as a focus, and will address first the various comments from the perspective of the initial motivation for developing this theory, and then specific issues raised by the commentators.
C1 Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Speed, A (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU PSYCHOLOGY PRESS
PI HOVE
PA 27 CHURCH RD, HOVE BN3 2FA, EAST SUSSEX, ENGLAND
SN 1758-8928
J9 COGN NEUROSCI
JI Cogn. Neurosci
PY 2010
VL 1
IS 2
BP 146
EP 148
DI 10.1080/17588928.2010.481359
PG 3
WC Neurosciences
SC Neurosciences & Neurology
GA 704TE
UT WOS:000286074500015
PM 24168286
ER
PT J
AU Shverdin, M
Albert, F
Gibson, D
Messerly, M
Hartemann, F
Siders, C
Barty, C
AF Shverdin, Miroslav
Albert, Felicie
Gibson, David
Messerly, Mike
Hartemann, Fred
Siders, Craig
Barty, Chris
BE Duarte, FJ
TI Laser Technology for Compact, Narrow-bandwidth Gamma-ray Sources
SO COHERENCE AND ULTRASHORT PULSE LASER EMISSION
LA English
DT Article; Book Chapter
ID NUCLEAR-RESONANCE FLUORESCENCE; CHIRPED-PULSE AMPLIFICATION; SINGLE-SHOT
MEASUREMENT; X-RAYS; COMPTON-SCATTERING; ULTRASHORT-PULSE; FIBER LASER;
MU-M; BEAMS; POWER
C1 [Shverdin, Miroslav; Albert, Felicie; Gibson, David; Messerly, Mike; Hartemann, Fred; Siders, Craig; Barty, Chris] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Shverdin, M (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RI Albert, Felicie/G-2645-2013
NR 52
TC 0
Z9 0
U1 0
U2 0
PU INTECH EUROPE
PI RIJEKA
PA JANEZA TRDINE9, RIJEKA, 51000, CROATIA
BN 978-953-307-242-5
PY 2010
BP 49
EP 74
D2 10.5772/543
PG 26
WC Physics, Applied
SC Physics
GA BD8AQ
UT WOS:000363727700004
ER
PT J
AU Chialvo, AA
Simonson, JM
AF Chialvo, Ariel A.
Simonson, J. Michael
TI SOLVATION AND ION PAIR ASSOCIATION IN AQUEOUS METAL SULFATES:
INTERPRETATION OF NDIS RAW DATA BY ISOBARIC-ISOTHERMAL MOLECULAR
DYNAMICS SIMULATION
SO COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS
LA English
DT Article
DE Neutron diffraction; Molecular dynamics; Ion pairs; Anion hydration;
NDIS; Coordination number; Radial distribution functions
ID NEUTRON-SCATTERING; LITHIUM BROMIDE; ANION; WATER; ACETONITRILE;
DIFFRACTION; BINDING; SOLVENT
AB We analyzed the solvation behavior of aqueous lithium, nickel, and ytterbium sulfates at ambient conditions in terms of the relevant radial distributions functions and the corresponding first-order difference of the sulfur-site neutron-weighted distribution functions generated by isothermal-isobaric molecular dynamics simulation. We determined the partial contributions to the neutron-weighted distribution functions, to identify the main contributing peaks of the corresponding radial distribution functions, and the effect of the contact ion-pair configuration on the resulting water's hydrogen coordination around the sulfate's sulfur site. Finally, we assessed the extent of the ion-pair formation according to Poirier-DeLap formalism and highlighted the significant increase of the ion-pair association exhibited by these salts with cation charge.
C1 [Chialvo, Ariel A.] Oak Ridge Natl Lab, Div Chem Sci, Geochem & Interfacial Sci Grp, Oak Ridge, TN 37831 USA.
[Simonson, J. Michael] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Chialvo, AA (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Geochem & Interfacial Sci Grp, POB 2008, Oak Ridge, TN 37831 USA.
EM chialvoaa@ornl.gov; simonsonjm@ornl.gov
OI Chialvo, Ariel/0000-0002-6091-4563
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences [DE-AC05-00OR22725]
FX This research was sponsored by the Division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences under
contract number DE-AC05-00OR22725 with Oak Ridge National Laboratory,
managed and operated by UT-Battelle, LLC.
NR 25
TC 6
Z9 6
U1 1
U2 9
PU INST ORGANIC CHEM AND BIOCHEM
PI PRAGUE 6
PA ACAD SCI CZECH REPUBLIC, FLEMINGOVO NAM 2, PRAGUE 6 166 10, CZECH
REPUBLIC
SN 0010-0765
J9 COLLECT CZECH CHEM C
JI Collect. Czech. Chem. Commun.
PY 2010
VL 75
IS 4
BP 405
EP 424
DI 10.1135/cccc2009535
PG 20
WC Chemistry, Multidisciplinary
SC Chemistry
GA 593NK
UT WOS:000277462600003
ER
PT J
AU Santamaria, A
Yang, N
Eddings, E
Mondragon, F
AF Santamaria, Alexander
Yang, Nancy
Eddings, Eric
Mondragon, Fanor
TI Chemical and morphological characterization of soot and soot precursors
generated in an inverse diffusion flame with aromatic and aliphatic
fuels
SO COMBUSTION AND FLAME
LA English
DT Article
DE Soot; Soot precursors; Young soot; IDF soot; Aromaticity
ID PREMIXED FLAMES; YOUNG SOOT; COMBUSTION; PARTICLES; EVOLUTION; H-1-NMR;
GROWTH
AB Knowledge of the chemical and physical structure of young soot and its precursors is very useful in understanding the paths leading to soot particle inception. This paper presents chemical and morphological characterization of the products generated in ethylene and benzene inverse diffusion flames (IDF) using different analytical techniques. The trend in the data indicates that the soot precursor material and soot particles generated in the benzene IDF have a higher degree of complexity than the samples obtained in the ethylene IDF, which is reflected by an increase in the aromaticity of the chloroform extracts observed by (1)H NMR and FT-IR, and shape and size of soot particles obtained by TEM and HR-TEM. It is important to highlight that the soot precursor material obtained at the lower positions in the ethylene IDF has a significant contribution of aliphatic groups, which play an important role in the particle inception and mass growth processes during the early stages of soot formation. However, these groups progressively disappear in the samples taken at higher positions in the flame, due to thermal decomposition processes. (C) 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Santamaria, Alexander; Mondragon, Fanor] Univ Antioquia, Inst Chem, Medellin 1226, Colombia.
[Yang, Nancy] Sandia Natl Labs, Livermore, CA 94551 USA.
[Eddings, Eric] Univ Utah, Dept Chem Engn, Salt Lake City, UT 84112 USA.
RP Santamaria, A (reprint author), Univ Antioquia, Inst Chem, Medellin 1226, Colombia.
EM alsp04@mateamaticas.udea.edu.co
FU University of Antioquia; COLCIENCIAS [1115-405-20283]; Center for the
Simulation of Accidental Fires and Explosions; US Department of Energy
[LLL B341493]
FX The authors would like to thank the Sostenibilidad program of the
University of Antioquia 2009-2010 and to COLCIENCIAS through the Project
1115-405-20283 for financial support. A.S. thanks COLCIENCIAS and the
University of Antioquia for the PhD scholarship and the Center for the
Simulation of Accidental Fires and Explosions at the University of Utah
(funded by the US Department of Energy under Contract No. LLL B341493)
for the visiting research grant.
NR 32
TC 35
Z9 37
U1 2
U2 14
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 JAN
PY 2010
VL 157
IS 1
BP 33
EP 42
DI 10.1016/j.combustflame.2009.09.016
PG 10
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA 532IW
UT WOS:000272741900005
ER
PT J
AU Ricks, AJ
Hewson, JC
Kerstein, AR
Gore, JP
Tieszen, SR
Ashurst, WT
AF Ricks, Allen J.
Hewson, John C.
Kerstein, Alan R.
Gore, Jay P.
Tieszen, Sheldon R.
Ashurst, William T.
TI A SPATIALLY DEVELOPING ONE-DIMENSIONAL TURBULENCE (ODT) STUDY OF SOOT
AND ENTHALPY EVOLUTION IN METER-SCALE BUOYANT TURBULENT FLAMES
SO COMBUSTION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Conditional moments; Diffusion flame; One-dimensional turbulence;
Radiation heat transfer; Soot; Stochastic modeling; Turbulent flame
ID DIRECT NUMERICAL-SIMULATION; CONDITIONAL MOMENT CLOSURE; LAMINAR
DIFFUSION FLAMES; LARGE-EDDY SIMULATION; ETHYLENE JET FLAME; POOL FIRE;
RADIATION PROPERTIES; NONPREMIXED FLAMES; MODEL FORMULATION;
MIXTURE-FRACTION
AB The interaction between soot and enthalpy evolution in a buoyant turbulent flame, exhibiting key attributes of a fire, is studied using a novel approach. This approach is based on a spatially evolving form of the one-dimensional turbulence (ODT) model that resolves the full range of scales, in a single spatial dimension, from the scale of the plume evolution to that of the soot layers. The model is compared with limited experimental data available. The evolved flow field of a meter-scale flame is then analyzed both in terms of conventional spatial averages and conditional averages. The conditional moments of the terms in the soot and enthalpy evolution equations are analyzed to elucidate the balance between the large-scale evolution (advective terms), the source terms, and the turbulent mixing (dissipative terms). The results show the significant influence of the mixture evolution on the transport of soot relative to the flame (in mixture-fraction space).
C1 [Ricks, Allen J.; Hewson, John C.; Tieszen, Sheldon R.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Ricks, Allen J.; Gore, Jay P.] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA.
[Kerstein, Alan R.; Ashurst, William T.] Sandia Natl Labs, Combust Res Facil, Livermore, CA USA.
RP Ricks, AJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM aricks@sandia.gov
NR 61
TC 10
Z9 10
U1 0
U2 12
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA
SN 0010-2202
J9 COMBUST SCI TECHNOL
JI Combust. Sci. Technol.
PY 2010
VL 182
IS 1
BP 60
EP 101
DI 10.1080/00102200903297003
PG 42
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical
SC Thermodynamics; Energy & Fuels; Engineering
GA 552PE
UT WOS:000274304700003
ER
PT J
AU Nanduri, JR
Parsons, DR
Yilmaz, SL
Celik, IB
Strakey, PA
AF Nanduri, J. R.
Parsons, D. R.
Yilmaz, S. L.
Celik, I. B.
Strakey, P. A.
TI Assessment of RANS-Based Turbulent Combustion Models for Prediction of
Emissions from Lean Premixed Combustion of Methane
SO COMBUSTION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Emissions; Lean premixed combustion; PDF combustion model; RANS
combustion models; Reduced mechanisms
ID SWIRL-STABILIZED COMBUSTOR; REACTIVE FLOWS; MIXING MODELS; PDF;
PERFORMANCE; FLAMES; CHEMISTRY
AB Reynolds-Averaged Navier-Stokes (RANS) simulations of Lean Premixed Combustion (LPC) of methane-air in a bluff-body stabilized combustor were performed with several widely used turbulent combustion methodologies in order to assess their prediction capabilities. The methods employed are the Eddy Dissipation Concept (EDC), the Composition Probability Density Function (CPDF) and the Joint Velocity-Frequency-Composition PDF (VFCPDF) models. Where needed, two different models were employed for turbulent transport closure, namely the Renormalization Group (RNG) k-epsilon and Reynolds Stress Transport (RSM) models. The combustion chemistry was represented by two separate augmented reduced mechanisms (ARM9 and ARM19) in order to assess the influence of chemical mechanisms on calculations. Mean temperature and major species predictions of all of the employed methodologies compared well with the experimental data. Intermediate and emission species predictions were sensitive to the resolution of turbulence viscosity, which changes the effective diffusivity of the species. NO emissions predictions were in error by an average +/- 5ppm with the EDC models and the CPDF model, with the VFCPDF model showing a somewhat better prediction of NOx. Calculations for some intermediate species (especially H2) deviated qualitatively from the experimental data, which highlights some of the limitations of these methodologies commonly used in detailed prediction of emissions for various fuel blends.
C1 [Nanduri, J. R.; Parsons, D. R.; Yilmaz, S. L.; Celik, I. B.; Strakey, P. A.] Natl Energy Technol Lab, Morgantown, WV USA.
[Nanduri, J. R.; Parsons, D. R.; Celik, I. B.] W Virginia Univ, Dept Mech & Aerosp Engn, Morgantown, WV 26506 USA.
[Yilmaz, S. L.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA USA.
RP Nanduri, JR (reprint author), MAE, ESB 309,POB 6106, Morgantown, WV 26506 USA.
EM jaggu.nanduri@mail.wvu.edu
RI Yilmaz, S. Levent/G-8872-2011
FU National Energy Technology Laboratory under the RDS [DE-AC26-04NT4181]
FX This technical effort was performed in support of the National Energy
Technology Laboratory's ongoing research on the assessment of
Turbo-Chemistry Models for Prediction of Fuel Composition Effects on GTC
Emissions, under the RDS contract DE-AC26-04NT4181. The authors would
like to thank Kent Castleton, Dan Maloney, and Geo Richards at NETL and
Peyman Givi at the University of Pittsburgh for their invaluable
support, insight, and guidance as well as and the combustion group at
the Cornell University for the permission to utilize their PDF/RANS
computer code.
NR 42
TC 8
Z9 8
U1 1
U2 11
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA
SN 0010-2202
J9 COMBUST SCI TECHNOL
JI Combust. Sci. Technol.
PY 2010
VL 182
IS 7
BP 794
EP 821
AR PII 923932581
DI 10.1080/00102200903341546
PG 28
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical
SC Thermodynamics; Energy & Fuels; Engineering
GA 621XO
UT WOS:000279619900004
ER
PT J
AU Frederickson, K
Kearney, SP
Luketa, A
Hewson, JC
Grasser, TW
AF Frederickson, Kraig
Kearney, Sean P.
Luketa, Anay
Hewson, John C.
Grasser, Thomas W.
TI Dual-Pump CARS Measurements of Temperature and Oxygen in a Turbulent
Methanol-Fueled Pool Fire
SO COMBUSTION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE CARS; Fire research; Laser diagnostics
ID RAMAN-SCATTERING MEASUREMENTS; THERMOMETRY; NITROGEN; FLAMES; LASER
AB We present broadband, dual-pump coherent anti-Stokes Raman scattering (CARS) measurements of N2 and O2 in 2m diameter methanol pool fires. The design of the fiber-optically coupled CARS instrument for fire measurements is described. Single-shot temperatures and O2/N2 ratios were obtained simultaneously from a single measurement point at the center of the fire plume, and the measured temperature-oxygen statistics are compared to results of a time-domain-filtered Reynolds-averaged Navier-Stokes simulation. The measured and simulated mean fire temperatures agree to within 2-4%, with larger turbulent fluctuations observed in the measured temperatures. The behavior of the mean temperature conditioned on the O2/N2 ratio is similar for both simulation and experiment, but with simulated temperatures that are up to 10% lower than measured values for O2/N2 below 0.18. The uncertainty in the CARS measurements is described. A single-shot detection limit of O2/N2=0.06 was determined from the observed signal to noise ratio in the measured O2 Q-branch spectra. Comparison of the CARS and thermocouple-measured temperatures in tube-furnace-heated air allowed characterization of the CARS instrument accuracy and precision and it was determined that between 500-1400K the instrument accuracy is 1% and the measurements are reproducible to within 5-7%.
C1 [Frederickson, Kraig; Kearney, Sean P.; Luketa, Anay; Hewson, John C.; Grasser, Thomas W.] Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA.
RP Kearney, SP (reprint author), Sandia Natl Labs, Engn Sci Ctr, POB 5800, Albuquerque, NM 87185 USA.
EM spkearn@sandia.gov
FU United States Department of Energy through the Campaign-6, Engineering
Sciences Research Foundation (ESRF); United States Department of
Energy's National Nuclear Security Administration [DE-AC04-94AL85000]
FX This work has been funded by the United States Department of Energy
through the Campaign-6, Engineering Sciences Research Foundation (ESRF),
and Laboratory Directed Research and Development (LDRD) programs at
Sandia National Laboratories. The authors thank Dann Jernigan, Ciro
Ramirez, and Martin Sanchez for their technical assistance in operation
of the FLAME facility. We also thank Sheldon Tieszen for his help in
motivating this work and for discussions on the structure and
thermal-fluid physics of large pool fires. 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 31
TC 5
Z9 5
U1 5
U2 19
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0010-2202
EI 1563-521X
J9 COMBUST SCI TECHNOL
JI Combust. Sci. Technol.
PY 2010
VL 182
IS 8
BP 941
EP 959
AR PII 924825037
DI 10.1080/00102200903463704
PG 19
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical
SC Thermodynamics; Energy & Fuels; Engineering
GA 631YK
UT WOS:000280386500001
ER
PT J
AU Hu, B
Rutland, CJ
Shethaji, TA
AF Hu, Bing
Rutland, Christopher J.
Shethaji, Tushar A.
TI A Mixed-Mode Combustion Model for Large-Eddy Simulation of Diesel
Engines
SO COMBUSTION SCIENCE AND TECHNOLOGY
LA English
DT Article
DE Combustion modeling; Diesel engine; Flamelet; Large-eddy simulation
ID NON-PREMIXED COMBUSTION; TURBULENT COMBUSTION; ROTATING TURBULENCE;
DETAILED CHEMISTRY; FLOWS; TESTS
AB Present technologies of diesel engine combustion involve various operating conditions that can lead to a broad spectrum of combustion regimes. Existing combustion models for diesel engines usually lack universality across combustion regimes. In this study, a mixed-mode combustion model was developed to cover the major regimes pertaining to diesel engine combustion. The model uses kinetically controlled, quasi-steady homogeneous, quasi-steady flamelet, and partially premixed combustion modes. The combustion regime is identified locally by two combustion indices based on the local chemical and mixing conditions. The combustion model takes advantage of mixing details provided by large-eddy simulation. The model was tested over a wide range of engine conditions including conventional diesel-type and low-temperature combustion operating conditions. The model results compared well with experimental data and exhibited strength in both universality and computational efficiency.
C1 [Hu, Bing; Rutland, Christopher J.] Univ Wisconsin, Dept Mech Engn, Engine Res Ctr, Madison, WI 53706 USA.
[Hu, Bing] Sandia Natl Labs, Combust Res Facil, Livermore, CA USA.
[Shethaji, Tushar A.] Caterpillar Inc, Peoria, IL 61629 USA.
RP Hu, B (reprint author), 7011 E Ave,MS 9053, Livermore, CA 94551 USA.
EM bhu@sandia.gov
RI Rutland, Christopher/F-8261-2011
FU Caterpillar Inc.; DOE/Sandia National Laboratories [DE-FC26-02AL67612]
FX This material is based on work supported by Caterpillar Inc. and
DOE/Sandia National Laboratories under grant number DE-FC26-02AL67612.
We thank Professor Rolf D. Reitz, whose comments improved the quality of
this document. We also thank Rahul Jhavar for sharing his CFD mesh and
results for comparison.
NR 53
TC 10
Z9 10
U1 0
U2 11
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA
SN 0010-2202
J9 COMBUST SCI TECHNOL
JI Combust. Sci. Technol.
PY 2010
VL 182
IS 9
BP 1279
EP 1320
AR PII 925980655
DI 10.1080/00102201003671410
PG 42
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical
SC Thermodynamics; Energy & Fuels; Engineering
GA 641VZ
UT WOS:000281160200007
ER
PT J
AU Ruggirello, KP
DesJardin, PE
Baer, MR
Hertel, ES
AF Ruggirello, Kevin P.
DesJardin, Paul E.
Baer, M. R.
Hertel, E. S.
TI Modeling of particle compressibility and ignition from shock focusing
SO COMBUSTION THEORY AND MODELLING
LA English
DT Article
DE aluminum ignition; particle compressibility; shock heating
ID TO-DETONATION TRANSITION; COMBUSTION; WAVE; SIMULATIONS; TRANSPORT;
SCHEMES; METALS; AIR
AB Two-phase shock-driven reacting flow simulations are conducted to determine the post-detonation shock-focusing ignition and burning of aluminum particle mixtures. A model for aluminum particles that accounts for material compressibility from shock heating and expansion is presented. The Lagrangian description of the particles is incorporated into an Eulerian description of the gas phase resulting in a fully compressible, two-way coupled simulation. Simulations are conducted of an isolated explosive located near a corner to promote ignition of the particles from shock focusing. Parametric studies are conducted to determine the effects of equivalence ratio, particle size, and charge placement, on the post-detonation pressure and impulse. Results highlight the importance of the timing and position of the shock focusing event relative to the local mixture equivalence ratio that results in an optimal equivalence ratio which maximizes impulse for the geometry considered.
C1 [Ruggirello, Kevin P.; DesJardin, Paul E.] SUNY Buffalo, Dept Mech & Aerosp Engn, Buffalo, NY 14260 USA.
[Baer, M. R.; Hertel, E. S.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP DesJardin, PE (reprint author), SUNY Buffalo, Dept Mech & Aerosp Engn, Buffalo, NY 14260 USA.
EM ped3@eng.buffalo.edu
FU United States Department of Energy's National Nuclear Security
Administration
FX The work was partially supported by Sandia National Laboratories, a
multiprogram laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the United States Department of Energy's National
Nuclear Security Administration.
NR 49
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U1 0
U2 4
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1364-7830
EI 1741-3559
J9 COMBUST THEOR MODEL
JI Combust. Theory Model.
PY 2010
VL 14
IS 1
BP 41
EP 67
AR PII 919909373
DI 10.1080/13647830903452680
PG 27
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Mathematics,
Interdisciplinary Applications
SC Thermodynamics; Energy & Fuels; Engineering; Mathematics
GA 570QM
UT WOS:000275693000003
ER
PT J
AU Najm, HN
Valorani, M
Goussis, DA
Prager, J
AF Najm, Habib N.
Valorani, Mauro
Goussis, Dimitris A.
Prager, Jens
TI Analysis of methane-air edge flame structure
SO COMBUSTION THEORY AND MODELLING
LA English
DT Article
DE edge flame; triple flame; methane-air; computational singular
perturbation; low-dimensional manifold
ID JET DIFFUSION FLAMES; COMPUTATIONAL SINGULAR PERTURBATION; SEMIIMPLICIT
NUMERICAL SCHEME; TRIPLE FLAME; MIXING LAYERS; REACTING FLOW;
SENSITIVITY-ANALYSIS; DETAILED CHEMISTRY; PREMIXED FLAMES; REACTION
KERNEL
AB We study the structure of a methane-air edge flame stabilized against an incoming mixing layer. The flame is computed using detailed chemical kinetics, and the analysis is based on computational singular perturbation theory. We focus on examination of the dynamical fast/slow structure of the flame, exploring the distribution of time-scales, the composition of the related specific modes and the effective low-dimensional structure. We also study the importance of chemical/transport processes for both major species and radicals in the flame, analyzing the information available from slow/fast importance indices as compared to reaction flux analysis. Results provide enhanced understanding of the flame, outlining the role of different chemical and transport processes in its observed structure.
C1 [Najm, Habib N.; Prager, Jens] Sandia Natl Labs, Reacting Flow Res Dept, Livermore, CA USA.
[Valorani, Mauro] Univ Roma La Sapienza, Dept Mech & Aeronaut, Rome, Italy.
[Goussis, Dimitris A.] Natl Tech Univ Athens, Sch Appl Math & Phys Sci, Athens, Greece.
RP Najm, HN (reprint author), Sandia Natl Labs, Reacting Flow Res Dept, Livermore, CA USA.
EM hnnajm@sandia.gov
OI VALORANI, Mauro/0000-0002-8260-6297
FU US Department of Energy (DOE), Office of Basic Energy Sciences (BES)
Division of Chemical Sciences, Geosciences, and Biosciences; United
States Department of Energy [DE-AC04-94-AL85000]; Italian Ministry of
University and Research (MIUR)
FX This work was supported by the US Department of Energy (DOE), Office of
Basic Energy Sciences (BES) Division of Chemical Sciences, Geosciences,
and Biosciences. Sandia National Laboratories is a multiprogram
laboratory operated by Sandia Corporation, a Lockheed Martin Company,
for the United States Department of Energy under contract
DE-AC04-94-AL85000. M. Valorani acknowledges the support of the Italian
Ministry of University and Research (MIUR).
NR 69
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U1 1
U2 7
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1364-7830
J9 COMBUST THEOR MODEL
JI Combust. Theory Model.
PY 2010
VL 14
IS 2
BP 257
EP 294
AR PII 923844350
DI 10.1080/13647830.2010.483021
PG 38
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Mathematics,
Interdisciplinary Applications
SC Thermodynamics; Energy & Fuels; Engineering; Mathematics
GA 619PW
UT WOS:000279443100005
ER
PT J
AU Schwendeman, DW
Kapila, AK
Henshaw, WD
AF Schwendeman, D. W.
Kapila, A. K.
Henshaw, W. D.
TI A study of detonation diffraction and failure for a model of
compressible two-phase reactive flow
SO COMBUSTION THEORY AND MODELLING
LA English
DT Article
DE detonation failure; corner turning; two-phase model; Godunov method;
parallel AMR
ID ADAPTIVE MESH REFINEMENT; GRANULAR-MATERIALS; OVERLAPPING GRIDS;
TRANSITION DDT; IGNITION; GROWTH; WAVES
AB A two-phase model of heterogeneous explosives, with a reaction rate that is proportional to the gas-phase pressure excess above an ignition threshold, is examined computationally. The numerical approach, a variant of Godunov's method designed to accommodate nonconservative terms in the hyperbolic model, extends previous work of the authors to two-dimensional configurations. The focus is on the behavior of an established detonation as it rounds a 90 degrees corner and undergoes diffraction. The dependence of the post-diffraction conduct on the reaction rate is explored by varying the reaction-rate prefactor and the ignition threshold. The aim is to determine whether the model, as postulated, can capture dead zones, which are pockets of unreacted or partially reacted explosive observed in the vicinity of the corner in diffraction experiments. Results of this study are compared with those of a similar investigation on the one-phase ignition-and-growth model.
C1 [Schwendeman, D. W.; Kapila, A. K.] Rensselaer Polytech Inst, Dept Math Sci, Troy, NY 12180 USA.
[Henshaw, W. 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 (NSF) [DMS-0609874, DMS-0532160]; Lawrence
Livermore National Laboratory (LLNL) [B574692]; U.S. Department of
Energy (DOE) [DE-AC52-07NA27344]; DOE Office of Science
FX Research support for DWS and AKK was provided by the National Science
Foundation (NSF) under grant DMS-0609874. Additional support for DWS was
given by Lawrence Livermore National Laboratory (LLNL) under subcontract
B574692. The work of WDH was performed under the auspices of the U.S.
Department of Energy (DOE) by LLNL under Contract DE-AC52-07NA27344 and
with the support of the ASCR Applied Math Program of the DOE Office of
Science. Numerical results were obtained using the Applied Math Cluster
at RPI which was purchased in part using funds from the NSF grant
DMS-0532160.
NR 25
TC 7
Z9 7
U1 1
U2 12
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1364-7830
EI 1741-3559
J9 COMBUST THEOR MODEL
JI Combust. Theory Model.
PY 2010
VL 14
IS 3
BP 331
EP 366
AR PII 923937093
DI 10.1080/13647830.2010.489955
PG 36
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Mathematics,
Interdisciplinary Applications
SC Thermodynamics; Energy & Fuels; Engineering; Mathematics
GA 622BH
UT WOS:000279632800003
ER
PT J
AU Richardson, ES
Granet, VE
Eyssartier, A
Chen, JH
AF Richardson, E. S.
Granet, V. E.
Eyssartier, A.
Chen, J. H.
TI Effects of equivalence ratio variation on lean, stratified methane-air
laminar counterflow flames
SO COMBUSTION THEORY AND MODELLING
LA English
DT Article
DE laminar counterflow flames; stratified combustion; methane flames;
equivalence ratio gradients; unsteady strain rate
ID PREMIXED FLAMES; NUMERICAL-SIMULATION; STRAIN-RATE; MIXTURES;
PROPAGATION; COMBUSTION; REACTANTS; IGNITION
AB The effects of equivalence ratio variations on flame structure and propagation have been studied computationally. Equivalence ratio stratification is a key technology for advanced low emission combustors. Laminar counterflow simulations of lean methane-air combustion have been presented which show the effect of strain variations on flames stabilized in an equivalence ratio gradient, and the response of flames propagating into a mixture with a time-varying equivalence ratio. 'Back supported' lean flames, whose products are closer to stoichiometry than their reactants, display increased propagation velocities and reduced thickness compared with flames where the reactants are richer than the products. The radical concentrations in the vicinity of the flame are modified by the effect of an equivalence ratio gradient on the temperature profile and thermal dissociation. Analysis of steady flames stabilized in an equivalence ratio gradient demonstrates that the radical flux through the flame, and the modified radical concentrations in the reaction zone, contribute to the modified propagation speed and thickness of stratified flames. The modified concentrations of radical species in stratified flames mean that, in general, the reaction rate is not accurately parametrized by progress variable and equivalence ratio alone. A definition of stratified flame propagation based upon the displacement speed of a mixture fraction dependent progress variable was seen to be suitable for stratified combustion. The response times of the reaction, diffusion, and cross-dissipation components which contribute to this displacement speed have been used to explain flame response to stratification and unsteady fluid dynamic strain.
C1 [Richardson, E. S.; Chen, J. H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
[Granet, V. E.; Eyssartier, A.] CERFACS, F-31057 Toulouse 01, France.
RP Richardson, ES (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969,MS 9051, Livermore, CA 94551 USA.
EM esrich@sandia.gov
FU US Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences; United States
Department of Energy [DE-AC04-94-AL85000]
FX This work was supported by the US Department of Energy, 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
United States Department of Energy under Contract DE-AC04-94-AL85000.
NR 37
TC 26
Z9 26
U1 0
U2 25
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 1364-7830
J9 COMBUST THEOR MODEL
JI Combust. Theory Model.
PY 2010
VL 14
IS 6
BP 775
EP 792
AR PII 928636452
DI 10.1080/13647830.2010.490881
PG 18
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Mathematics,
Interdisciplinary Applications
SC Thermodynamics; Energy & Fuels; Engineering; Mathematics
GA 682NC
UT WOS:000284409300001
ER
PT J
AU Schwartz, P
Colella, P
AF Schwartz, Peter
Colella, Phillip
TI A SECOND-ORDER ACCURATE METHOD FOR SOLVING THE SIGNED DISTANCE FUNCTION
EQUATION
SO COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE
LA English
DT Article
DE eikonal; narrow band; Hamilton-Jacobi; signed distance function
ID LEVEL SET METHOD; EMBEDDED BOUNDARY METHOD
AB We present a numerical method for computing the signed distance to a piecewise-smooth surface defined as the zero set of a function. It is based on a marching method by Kim (2001) and a hybrid discretization of first-and second-order discretizations of the signed distance function equation. If the solution is smooth at a point and at all of the points in the domain of dependence of that point, the solution is second-order accurate; otherwise, the method is first-order accurate, and computes the correct entropy solution in the presence of kinks in the initial surface.
C1 [Schwartz, Peter; Colella, Phillip] Univ Calif Berkeley, Lawrence Berkeley Lab, Appl Numer Algorithms Grp, Berkeley, CA 94720 USA.
RP Schwartz, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Appl Numer Algorithms Grp, 1 Cyclotron Rd,MS 50A-1148MS 50A-1148, Berkeley, CA 94720 USA.
EM poschwartz@lbl.gov; PColella@lbl.gov
NR 15
TC 1
Z9 1
U1 0
U2 3
PU MATHEMATICAL SCIENCE PUBL
PI BERKELEY
PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA
SN 1559-3940
J9 COMM APP MATH COM SC
JI Commun. Appl. Math. Comput. Sci.
PY 2010
VL 5
IS 1
BP 81
EP 97
DI 10.2140/camcos.2010.5.81
PG 17
WC Mathematics, Applied; Physics, Mathematical
SC Mathematics; Physics
GA 660OT
UT WOS:000282653600005
ER
PT J
AU Donev, A
Vanden-Eijnden, E
Garcia, A
Bell, J
AF Donev, Aleksandar
Vanden-Eijnden, Eric
Garcia, Alejandro
Bell, John
TI ON THE ACCURACY OF FINITE-VOLUME SCHEMES FOR FLUCTUATING HYDRODYNAMICS
SO COMMUNICATIONS IN APPLIED MATHEMATICS AND COMPUTATIONAL SCIENCE
LA English
DT Article
DE finite-volume scheme; hydrodynamics
ID NAVIER-STOKES EQUATIONS; IMMERSED BOUNDARY METHOD; MONTE-CARLO METHOD;
DIFFERENCE-SCHEMES; KOLMOGOROV FLOW; NUMERICAL-SIMULATION;
LATTICE-BOLTZMANN; BROWNIAN-MOTION; FLUID; ORDER
AB This paper describes the development and analysis of finite-volume methods for the Landau-Lifshitz Navier-Stokes (LLNS) equations and related stochastic partial differential equations in fluid dynamics. The LLNS equations incorporate thermal fluctuations into macroscopic hydrodynamics by the addition of white-noise fluxes whose magnitudes are set by a fluctuation-dissipation relation. Originally derived for equilibrium fluctuations, the LLNS equations have also been shown to be accurate for nonequilibrium systems. Previous studies of numerical methods for the LLNS equations focused primarily on measuring variances and correlations computed at equilibrium and for selected nonequilibrium flows. In this paper, we introduce a more systematic approach based on studying discrete equilibrium structure factors for a broad class of explicit linear finite-volume schemes. This new approach provides a better characterization of the accuracy of a spatiotemporal discretization as a function of wavenumber and frequency, allowing us to distinguish between behavior at long wavelengths, where accuracy is a prime concern, and short wavelengths, where stability concerns are of greater importance. We use this analysis to develop a specialized third-order Runge-Kutta scheme that minimizes the temporal integration error in the discrete structure factor at long wavelengths for the one-dimensional linearized LLNS equations. Together with a novel method for discretizing the stochastic stress tensor in dimension larger than one, our improved temporal integrator yields a scheme for the three-dimensional equations that satisfies a discrete fluctuation-dissipation balance for small time steps and is also sufficiently accurate even for time steps close to the stability limit.
C1 [Donev, Aleksandar; Bell, John] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA.
[Vanden-Eijnden, Eric] NYU, Courant Inst Math Sci, New York, NY 10012 USA.
[Garcia, Alejandro] San Jose State Univ, Dept Phys & Astron, San Jose, CA 95192 USA.
RP Donev, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Computat Sci & Engn, MS 50A-1148,LBL,1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM aleks.donev@gmail.com; eve2@cims.nyu.edu; algarcia@algarcia.org;
jbbell@lbl.gov
FU U.S. Department of Energy by the Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; U. S. Department of Energy [DE-AC02-05CH11231];
National Science Foundation [DMS02-09959, DMS02-39625, DMS07-08140];
Office of Naval Research [N00014-04-1-0565]
FX Donev's work was performed under the auspices of the U.S. Department of
Energy by the Lawrence Livermore National Laboratory under contract
DE-AC52-07NA27344. The work of Bell and Garcia was supported by the
Applied Mathematics Research Program of the U. S. Department of Energy
under contract no. DE-AC02-05CH11231. The work of Vanden-Eijnden was
supported by the National Science Foundation through grants DMS02-09959,
DMS02-39625, and DMS07-08140, and by the Office of Naval Research
through grant N00014-04-1-0565.
NR 66
TC 48
Z9 48
U1 0
U2 21
PU MATHEMATICAL SCIENCE PUBL
PI BERKELEY
PA UNIV CALIFORNIA, DEPT MATHEMATICS, BERKELEY, CA 94720-3840 USA
SN 1559-3940
J9 COMM APP MATH COM SC
JI Commun. Appl. Math. Comput. Sci.
PY 2010
VL 5
IS 2
BP 149
EP 197
DI 10.2140/camcos.2010.5.149
PG 49
WC Mathematics, Applied; Physics, Mathematical
SC Mathematics; Physics
GA 699AF
UT WOS:000285635600001
ER
PT B
AU Stapp, HP
AF Stapp, Henry P.
BA Amoroso, RL
BF Amoroso, RL
TI THE QUEST FOR CONSCIOUSNESS: A QUANTUM NEUROBIOLOGICAL APPROACH
SO COMPLEMENTARITY OF MIND AND BODY: REALIZING THE DREAM OF DESCARTES,
EINSTEIN AND ECCLES
SE World Philosophy Series
LA English
DT Article; Book Chapter
C1 Lawrence Berkeley Natl Labs, Berkeley, CA 94720 USA.
RP Stapp, HP (reprint author), Lawrence Berkeley Natl Labs, Berkeley, CA 94720 USA.
NR 10
TC 0
Z9 0
U1 0
U2 2
PU NOVA SCIENCE PUBLISHERS, INC
PI HAUPPAUGE
PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA
BN 978-1-61668-203-3
J9 WORLD PHILOS SER
PY 2010
BP 65
EP 73
PG 9
WC Philosophy
SC Philosophy
GA BSC83
UT WOS:000284125400004
ER
PT J
AU Simoes, R
Silva, J
Cadilhe, A
Vaia, R
AF Simoes, Ricardo
Silva, Jaime
Cadilhe, Antonio
Vaia, Richard
TI Applications of the Graph Theory to the Prediction of Electrical and
Dielectric Properties of Nano-filled Polymers
SO COMPOSITE INTERFACES
LA English
DT Article
DE Polymer-based nanocomposites; graph theory; modeling and simulation;
carbon nanofibers; nanofiber network
ID MOLECULAR-DYNAMICS SIMULATIONS; METAL-LOADED DIELECTRICS;
CARBON-NANOTUBE; LIQUID-CRYSTALS; COMPOSITES; BREAKDOWN; COMPUTER;
NANOCOMPOSITES; NANOFIBERS; PARTICLES
AB The addition of carbon nanofibers to a polymeric matrix is known to affect its mechanical and electrical properties, although the mechanisms responsible for the changes are not sufficiently understood. Particularly, there are currently no adequate predictive methods that allow the creation of knowledge-based structures tailored for specific electrical response.
We have developed a method for predicting the electric and dielectric properties of nanofiber-reinforced polymer matrices based on the application of the graph theory and circuit laws. We consider the individual properties of the polymeric matrix and the complex nanofiber network (including fiber orientation, concentration, and size), under an applied external electric field, and from the analysis we obtain information such as perlocative pathways, breakdown voltage, and impedance of the overall system.
Simulations for two-phase systems consisting of a dielectric matrix and randomly oriented nanofibers have shown that the concentration and the length of the fibers affect the properties. Increased concentrations or longer fibers both result in networks for which it is easier to establish conducting paths through breakdown mechanisms. (C) Koninklijke Brill NV, Leiden, 2010
C1 [Simoes, Ricardo; Silva, Jaime] Univ Minho, Inst Polymers & Composites IPC I3N, P-4800058 Guimaraes, Portugal.
[Simoes, Ricardo] Polytech Inst Cavado & Ave, P-4750810 Barcelos, Portugal.
[Silva, Jaime; Cadilhe, Antonio] Univ Minho, Ctr Phys, P-4800058 Guimaraes, Portugal.
[Cadilhe, Antonio] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Vaia, Richard] USAF, Res Labs, Wright Patterson AFB, OH 45433 USA.
RP Simoes, R (reprint author), Univ Minho, Inst Polymers & Composites IPC I3N, Campus Azurem, P-4800058 Guimaraes, Portugal.
EM rsimoes@dep.uminho.pt
RI Simoes, Ricardo/C-4120-2011; Silva, Jaime/B-5891-2009; Cadilhe,
Antonio/G-1479-2016
OI Silva, Jaime/0000-0002-1520-0799; Cadilhe, Antonio/0000-0002-0252-6992
FU Air Force Office of Scientific Research, Air Force Material Command,
USAF [FA8655-06-1-3009]
FX Effort sponsored by the Air Force Office of Scientific Research, Air
Force Material Command, USAF, under grant number FA8655-06-1-3009. The
US Government is authorized to reproduce and distribute reprints for
Governmental purpose notwithstanding any copyright notation thereon.
NR 30
TC 1
Z9 1
U1 3
U2 18
PU VSP BV
PI LEIDEN
PA BRILL ACADEMIC PUBLISHERS, PO BOX 9000, 2300 PA LEIDEN, NETHERLANDS
SN 0927-6440
J9 COMPOS INTERFACE
JI Compos. Interfaces
PY 2010
VL 17
IS 5-7
BP 407
EP 422
DI 10.1163/092764410X513431
PG 16
WC Materials Science, Composites
SC Materials Science
GA 660RV
UT WOS:000282662500002
ER
PT J
AU Corley, RA
AF Corley, R. A.
BE McQueen, CA
TI Pharmacokinetics and PBPK Models
SO COMPREHENSIVE TOXICOLOGY, VOL 12: DEVELOPMENTAL TOXICOLOGY, 2ND EDITION
LA English
DT Article; Book Chapter
ID PHYSIOLOGICALLY-BASED MODELS; BONE-SEEKING ELEMENTS; SPRAGUE-DAWLEY
RATS; 2-METHOXYACETIC ACID DISPOSITION; SYSTEMIC CLEARANCE PATHWAYS;
VOLATILE ORGANIC-COMPOUNDS; MULTIROUTE EXPOSURE MODEL; ASSESSING
CHILDRENS RISKS; PREDICT INFANT EXPOSURE; SEX-RELATED CHANGES
C1 Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Corley, RA (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
NR 152
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
BN 978-0-08-046884-6
PY 2010
BP 27
EP 58
PG 32
WC Developmental Biology; Toxicology
SC Developmental Biology; Toxicology
GA BA2HH
UT WOS:000333408300004
ER
PT J
AU Weber, TJ
AF Weber, T. J.
BE McQueen, CA
TI Protein Kinases
SO COMPREHENSIVE TOXICOLOGY, VOL 2: CELLULAR AND MOLECULAR TOXICOLOGY, 2ND
EDITION
LA English
DT Article; Book Chapter
ID ELECTRON-CAPTURE DISSOCIATION; THROMBOXANE A(2) RECEPTOR; RENAL
EPITHELIAL-CELLS; NF-KAPPA-B; TANDEM MASS-SPECTROMETRY;
SMOOTH-MUSCLE-CELLS; OXIDATIVE STRESS; AFFINITY-CHROMATOGRAPHY;
SIGNAL-TRANSDUCTION; LIPID-PEROXIDATION
C1 Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Weber, TJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
NR 196
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
BN 978-0-08-046884-6
PY 2010
BP 473
EP 493
PG 21
WC Toxicology
SC Toxicology
GA BA2JD
UT WOS:000333458300024
ER
PT J
AU Driscoll, KE
Guthrie, GD
AF Driscoll, K. E.
Guthrie, G. D.
BE McQueen, CA
TI Crystalline Silica and Silicosis
SO COMPREHENSIVE TOXICOLOGY, VOL 8: RESPIRATORY TOXICOLOGY, 2ND EDITION
LA English
DT Article; Book Chapter
ID TUMOR-NECROSIS-FACTOR; KAPPA-B ACTIVATION; EXPERIMENTAL PULMONARY
GRANULOMA; SISTER-CHROMATID EXCHANGES; HUMAN ALVEOLAR MACROPHAGES;
SCAVENGER RECEPTOR BINDS; EPITHELIAL-CELLS; FACTOR-ALPHA;
HEMOLYTIC-ACTIVITY; LUNG-CANCER
C1 [Driscoll, K. E.] Procter & Gamble Co, Cincinnati, OH 45202 USA.
[Guthrie, G. D.] Natl Energy Technol Lab, Pittsburgh, PA USA.
RP Driscoll, KE (reprint author), Procter & Gamble Co, Cincinnati, OH 45202 USA.
NR 127
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
BN 978-0-08-046884-6
PY 2010
BP 331
EP 350
PG 20
WC Respiratory System; Toxicology
SC Respiratory System; Toxicology
GA BA2JY
UT WOS:000333466500017
ER
PT S
AU Solovyev, VV
Shahmuradov, IA
Salamov, AA
AF Solovyev, Victor V.
Shahmuradov, Ilham A.
Salamov, Asaf A.
BE Ladunga, I
TI Identification of Promoter Regions and Regulatory Sites
SO COMPUTATIONAL BIOLOGY OF TRANSCRIPTION FACTOR BINDING
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE Promoter prediction; animal and plant promoters; bacterial promoters;
regulatory motifs and homology inference
ID DNA-BINDING SITES; TRANSCRIPTION FACTORS; IN-SILICO; GENOMIC DNA;
EUKARYOTIC PROMOTERS; GENE-REGULATION; START SITES; DATABASE; SEQUENCES;
ELEMENTS
AB Promoter sequences are the main regulatory elements of gene expression. Their recognition by computer algorithms is fundamental for understanding gene expression patterns, cell specificity and development. This chapter describes the advanced approaches to identify promoters in animal, plant and bacterial sequences. Also, we discuss an approach to identify statistically significant regulatory motifs in genomic sequences.
C1 [Solovyev, Victor V.] Royal Holloway Univ London, Dept Comp Sci, London, England.
[Solovyev, Victor V.] Univ London, Softberry Inc, Mt Kisco, NY USA.
[Shahmuradov, Ilham A.] ANAS, Inst Bot, Bioinformat Lab, Baku, Azerbaijan.
[Salamov, Asaf A.] DOE Joint Genome Inst, Walnut Creek, CA USA.
RP Solovyev, VV (reprint author), Royal Holloway Univ London, Dept Comp Sci, London, England.
OI Solovyev, Victor/0000-0001-8885-493X
NR 102
TC 26
Z9 26
U1 2
U2 10
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-60761-853-9
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2010
VL 674
BP 57
EP 83
DI 10.1007/978-1-60761-854-6_5
D2 10.1007/978-1-60761-854-6
PG 27
WC Biochemical Research Methods; Mathematical & Computational Biology
SC Biochemistry & Molecular Biology; Mathematical & Computational Biology
GA BQZ28
UT WOS:000282190100005
PM 20827586
ER
PT S
AU Quest, D
Ali, H
AF Quest, Daniel
Ali, Hesham
BE Ladunga, I
TI The Motif Tool Assessment Platform (MTAP) for Sequence-Based
Transcription Factor Binding Site Prediction Tools
SO COMPUTATIONAL BIOLOGY OF TRANSCRIPTION FACTOR BINDING
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE Transcription Factor Binding Sites (TFBS); prediction algorithms;
assessment tools; Motif Tool Assessment Platform (MTAP)
ID REGULATORY SEQUENCES; ESCHERICHIA-COLI; DATABASE; DISCOVERY; ELEMENTS;
IDENTIFICATION; ALIGNMENT; NETWORK; GENES
AB Predicting transcription factor binding sites (TFBS) from sequence is one of the most challenging problems in computational biology. The development of (semi-)automated computer-assisted prediction methods is needed to find TFBS over an entire genome, which is a first step in reconstructing mechanisms that control gene activity. Bioinformatics journals continue to publish diverse methods for predicting TFBS on a monthly basis. To help practitioners in deciding which method to use to predict for a particular TFBS, WC provide a platform to assess the quality and applicability of the available methods. Assessment tools allow researchers to determine how methods can be expected to perform on specific organisms or on specific transcription factor families. This chapter introduces the THIS detection problem and reviews current strategies for evaluating algorithm effectiveness. In this chapter, a novel and robust assessment tool, the Motif Tool Assessment Platform (MTAP), is introduced and discussed.
C1 [Quest, Daniel] Oak Ridge Natl Lab, Div Biol Sci, Computat Biol Grp, Oak Ridge, TN USA.
[Ali, Hesham] Univ Nebraska, Coll Informat Sci & Technol, Dept Pathol & Microbiol, Omaha, NE 68182 USA.
RP Quest, D (reprint author), Oak Ridge Natl Lab, Div Biol Sci, Computat Biol Grp, Oak Ridge, TN USA.
NR 23
TC 2
Z9 2
U1 1
U2 1
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-60761-853-9
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2010
VL 674
BP 121
EP 141
DI 10.1007/978-1-60761-854-6_8
D2 10.1007/978-1-60761-854-6
PG 21
WC Biochemical Research Methods; Mathematical & Computational Biology
SC Biochemistry & Molecular Biology; Mathematical & Computational Biology
GA BQZ28
UT WOS:000282190100008
PM 20827589
ER
PT B
AU Wenk, JF
Jhun, CS
Zhang, ZH
Sun, K
Burger, M
Einstein, D
Ratcliffe, M
Guccione, JM
AF Wenk, Jonathan F.
Jhun, Choon-Sik
Zhang, Zhihong
Sun, Kay
Burger, Mike
Einstein, Dan
Ratcliffe, Mark
Guccione, Julius M.
BE Guccione, JM
Kassab, GS
Ratcliffe, MB
TI In Vivo Left Ventricular Geometry and Boundary Conditions
SO COMPUTATIONAL CARDIOVASCULAR MECHANICS: MODELING AND APPLICATIONS IN
HEART FAILURE
LA English
DT Article; Book Chapter
ID ENGINEERING MECHANICS; SUCCESSIVE STATES; IMAGING DATA; FINITE;
FORMULATION; MYOCARDIUM; ELEMENTS; STRAIN
AB The first basic biomechanics modeling step outlined in the introductory chapter is to define the geometric configuration. In Chapters 12 and 14 we demonstrate the application of either simple (i.e., axisymmetric truncated ellipsoid) or complex (i.e., fully 3-D) left ventricular (LV) geometric models or finite element (FE) meshes. This chapter is primarily concerned with an instructive review of the methodology we have used to create both types of FE meshes, which relies on the "parametric" meshing software TrueGrid (R). Since TrueGrid is rather expensive. Section 1.6 describes the use of free software executables available from the Pacific Northwest National Laboratory. The second basic biomechanics modeling step (determine mechanical properties) is addressed in the next three chapters. The third and fourth basic biomechanics modeling steps (governing equations and boundary conditions) are discussed briefly at the end of this chapter.
C1 [Wenk, Jonathan F.; Jhun, Choon-Sik; Zhang, Zhihong; Sun, Kay; Ratcliffe, Mark; Guccione, Julius M.] Univ Calif San Francisco, Dept Surg, San Francisco, CA 94143 USA.
[Wenk, Jonathan F.; Jhun, Choon-Sik; Zhang, Zhihong; Sun, Kay; Ratcliffe, Mark; Guccione, Julius M.] San Francisco VA Med Ctr, San Francisco, CA USA.
[Burger, Mike] XYZ Sci Applicat Inc, Livermore, CA USA.
[Einstein, Dan] Pacific NW Natl Lab, Olympia, WA USA.
RP Guccione, JM (reprint author), Univ Calif San Francisco, Dept Surg, San Francisco, CA 94143 USA.
EM jwenk1@gmail.com; csjhun@gmail.com; guccionej@surgery.ucsf.edu;
guccionej@surgery.ucsf.edu
NR 11
TC 1
Z9 1
U1 1
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
BN 978-1-4419-0729-5
PY 2010
BP 3
EP 21
DI 10.1007/978-1-4419-0730-1_l
D2 10.1007/978-1-4419-0730-1
PG 19
WC Cardiac & Cardiovascular Systems; Engineering, Biomedical; Surgery
SC Cardiovascular System & Cardiology; Engineering; Surgery
GA BNM97
UT WOS:000275006800001
ER
PT B
AU Hsu, EW
Healy, LJ
Einstein, DR
Kuprat, AP
AF Hsu, Edward W.
Healy, Lindsey J.
Einstein, Daniel R.
Kuprat, Andrew P.
BE Guccione, JM
Kassab, GS
Ratcliffe, MB
TI Imaging-Based Assessment and Modeling of the Structures of the
Myocardium
SO COMPUTATIONAL CARDIOVASCULAR MECHANICS: MODELING AND APPLICATIONS IN
HEART FAILURE
LA English
DT Article; Book Chapter
ID DIFFUSION TENSOR MRI; LEFT-VENTRICULAR MECHANICS; MAGNETIC-RESONANCE;
FIBER ORIENTATION; CARDIAC FIBER; LAMINAR STRUCTURE; SPIN ECHOES;
IN-VIVO; ARCHITECTURE; ANISOTROPY
AB A precise knowledge of the microstructures of the myocardium such as myocyte organization and myofiber orientation is necessary to better understand material and Functional properties of the tissue. By characterizing the diffusion of water exerted by its molecular environment. magnetic resonance diffusion tensor imagine has emerged as a viable alternative to conventional histology for mapping tissue fibers and offers advantages of being nondestructive, relatively convenient, and inherently 3D. This chapter presents assessments and modeling of myocardial structures via diffusion tensor imaging, including their principles, validation, applications, and potential directions for Future development.
C1 [Hsu, Edward W.; Healy, Lindsey J.] Univ Utah, Dept Bioengn, Salt Lake City, UT 84112 USA.
[Einstein, Daniel R.; Kuprat, Andrew P.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Hsu, EW (reprint author), Univ Utah, Dept Bioengn, Salt Lake City, UT 84112 USA.
EM edward.hsu@utah.edu
OI Kuprat, Andrew/0000-0003-4159-918X
NR 50
TC 1
Z9 1
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
BN 978-1-4419-0729-5
PY 2010
BP 23
EP 39
DI 10.1007/978-1-4419-0730-1_2
D2 10.1007/978-1-4419-0730-1
PG 17
WC Cardiac & Cardiovascular Systems; Engineering, Biomedical; Surgery
SC Cardiovascular System & Cardiology; Engineering; Surgery
GA BNM97
UT WOS:000275006800002
ER
PT B
AU Wischgoll, T
Einstein, DR
Kuprat, AP
Jiao, XM
Kassab, GS
AF Wischgoll, Thomas
Einstein, Daniel R.
Kuprat, Andrew P.
Jiao, Xiangmin
Kassab, Ghassan S.
BE Guccione, JM
Kassab, GS
Ratcliffe, MB
TI Vascular Geometry Reconstruction and Grid Generation
SO COMPUTATIONAL CARDIOVASCULAR MECHANICS: MODELING AND APPLICATIONS IN
HEART FAILURE
LA English
DT Article; Book Chapter
ID 12-SUBITERATION THINNING ALGORITHM; SKELETONIZATION; OBJECTS
AB The geometry of vascular system is an important determinant of blood flow in health and disease. There is a strong geometric component to atherosclerosis in coronary heart disease since lesions are preferentially located at bifurcation points and regions of high curvature. The influence of these local structures oil recirculation and deleterious shear stresses and their role in plaque development is widely accepted. Over tinge, researchers have turned to MR. CT, or biplane images of vascular trees to faithfully capture these features in the flow simulations. Historically, this has taken the form of labor-intensive manual reconstructions from morphometric measurements based oil the centerline, whereby small idealized subsets of vascular trees are developed into computational grids. With improved imaging, image processing, and geometric reconstruction algorithms, researchers have begun to develop geometrically accurate computational models directly froth the medical images. This chapter provides all overview of contemporary methods for image processing, centerline detection, boundary condition definition, and grid generation of both clinical and research images of cardiovascular structures.
C1 [Wischgoll, Thomas] Wright State Univ, Dept Comp Sci & Engn, Dayton, OH 45435 USA.
[Einstein, Daniel R.; Kuprat, Andrew P.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Jiao, Xiangmin] SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA.
[Kassab, Ghassan S.] Purdue Univ, Weldon Sch Biomed Engn, W Lafayette, IN 47907 USA.
[Kassab, Ghassan S.] IUPUI, Dept Biomed Engn, Dept Cellular & Integrat Physiol, Dept Surg,Indiana Ctr Vasc Biol & Med, Indianapolis, IN 46202 USA.
RP Wischgoll, T (reprint author), Wright State Univ, Dept Comp Sci & Engn, Dayton, OH 45435 USA.
EM thomas.wischgoll@wright.edu; gkassab@iupui.edu; gkassab@iupui.edu
OI Kuprat, Andrew/0000-0003-4159-918X; Jiao, Xiangmin/0000-0002-7111-9813
NR 32
TC 0
Z9 0
U1 0
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
BN 978-1-4419-0729-5
PY 2010
BP 103
EP 119
DI 10.1007/978-1-4419-0730-1_7
D2 10.1007/978-1-4419-0730-1
PG 17
WC Cardiac & Cardiovascular Systems; Engineering, Biomedical; Surgery
SC Cardiovascular System & Cardiology; Engineering; Surgery
GA BNM97
UT WOS:000275006800007
ER
PT J
AU Yeh, GT
Fang, YL
Zhang, F
Sun, JT
Li, Y
Li, MH
Siegel, MD
AF Yeh, Gour-Tsyh
Fang, Yilin
Zhang, Fan
Sun, Jiangtao
Li, Yuan
Li, Ming-Hsu
Siegel, Malcolm D.
TI Numerical modeling of coupled fluid flow and thermal and reactive
biogeochemical transport in porous and fractured media
SO COMPUTATIONAL GEOSCIENCES
LA English
DT Article
DE Biogeochemical modeling; Reactive transport; HYDROGEOCHEM; Reaction
network; Fluid flow; Thermal transport
ID CONTAMINANT TRANSPORT; SOLUTE TRANSPORT; BIODEGRADATION; EQUILIBRIUM;
SUBSURFACE; ADSORPTION; COMPONENTS; SUBSTRATE; SYSTEMS
AB Subsurface contamination problems of metals and radionuclides are ubiquitous. Metals and radionuclides may exist in the solute phase or may be bound to soil particles and interstitial portions of the geologic matrix. Accurate tools to reliably predict the migration and transformation of these metals and radionuclides in the subsurface environment enhance the ability of environmental scientists, engineers, and decision makers to analyze their impact and to evaluate the efficacy of alternative remediation techniques prior to incurring expense in the field. A mechanistic-based numerical model could provide such a tool. This paper communicates the development and verification of a mechanistically coupled fluid-flow thermal-reactive biogeochemical-transport model where both fast and slow reactions occur in porous and fractured media. Theoretical bases, numerical implementations, and numerical experiments using the model are described. A definition of the "rates" of fast/equilibrium reactions is presented to come up with a consistent set of governing equations. Two example problems are presented. The first one is a reactive transport problem which elucidates the non-isothermal effects on heterogeneous reactions. It also demonstrates that the rates of fast/equilibrium reactions are not necessarily greater than that of slow/kinetic reactions in the context of reactive transport. The second example focuses on a complicated but realistic advective-dispersive-reactive transport problem. This example exemplifies the need for innovative numerical algorithms to solve problems involving stiff geochemical reactions. It also demonstrates that rates of all fast/equilibrium reactions are finite and definite. Furthermore, it is noted that a species-versus-time curve cannot be used to characterize the rate of homogeneous fast/equilibrium reaction in a reactive transport system even if one and only one such reaction is responsible for the production of this species.
C1 [Yeh, Gour-Tsyh] Univ Cent Florida, Dept Civil & Environm Engn, Orlando, FL 32816 USA.
[Fang, Yilin] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Zhang, Fan] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Sun, Jiangtao] Engn & Appl Sci Inc, Tampa, FL 33637 USA.
[Li, Yuan] Ayres Associates, Tampa, FL 33637 USA.
[Li, Ming-Hsu] Natl Cent Univ, Inst Hydrol & Ocean Sci, Jhongli, Taiwan.
[Siegel, Malcolm D.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Yeh, GT (reprint author), Univ Cent Florida, Dept Civil & Environm Engn, Orlando, FL 32816 USA.
EM gyeh@mail.ucf.edu
RI Fang, Yilin/J-5137-2015
FU US Department of Energy [DE-FG02-04ER63916]; University of Central
Florida
FX The work is supported in part by the US Department of Energy under Grant
DE-FG02-04ER63916 with University of Central Florida.
NR 58
TC 9
Z9 14
U1 3
U2 15
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 1420-0597
J9 COMPUTAT GEOSCI
JI Comput. Geosci.
PD JAN
PY 2010
VL 14
IS 1
BP 149
EP 170
DI 10.1007/s10596-009-9140-3
PG 22
WC Computer Science, Interdisciplinary Applications; Geosciences,
Multidisciplinary
SC Computer Science; Geology
GA 540QW
UT WOS:000273352600010
ER
PT S
AU Wohlberg, B
Theiler, J
AF Wohlberg, Brendt
Theiler, James
BE Bouman, CA
Pollak, I
TI Symmetrized local co-registration optimization for anomalous change
detection
SO COMPUTATIONAL IMAGING VIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Computational Imaging VIII
CY JAN 18-19, 2010
CL San Jose, CA
SP Soc Imaging Sci & Technol (IS&T), SPIE
DE Anomalous change detection; Registration; Multispectral imagery;
Hyperspectral imagery
AB The goal of anomalous change detection (ACD) is to identify what unusual changes have occurred in a scene, based on two images of the scene taken at different times and under different conditions. The actual anomalous changes need to be distinguished from the incidental differences that occur throughout the imagery, and one of the most common and confounding of these incidental differences is due to the misregistration of the images, due to limitations of the registration pre-processing applied to the image pair.
We propose a general method to compensate for residual misregistration in any ACD algorithm which constructs an estimate of the degree of "anomalousness" for every pixel in the image pair. The method computes a modified misregistration-insensitive anomalousness by making local re-registration adjustments to minimize the local anomalousness. In this paper we describe a symmetrized version of our initial algorithm, and find significant performance improvements in the anomalous change detection ROC curves for a number of real and synthetic data sets.
C1 [Wohlberg, Brendt; Theiler, James] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Wohlberg, B (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM brendt@lanl.gov; jt@lanl.gov
RI Wohlberg, Brendt/M-7764-2015
OI Wohlberg, Brendt/0000-0002-4767-1843
NR 16
TC 2
Z9 2
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-7926-6
J9 PROC SPIE
PY 2010
VL 7533
AR 753307
DI 10.1117/12.845210
PG 10
WC Computer Science, Interdisciplinary Applications; Imaging Science &
Photographic Technology
SC Computer Science; Imaging Science & Photographic Technology
GA BRR39
UT WOS:000283490500006
ER
PT J
AU Agouzal, A
Lipnikov, K
Vassilevski, Y
AF Agouzal, A.
Lipnikov, K.
Vassilevski, Yu.
TI Hessian-Free Metric-Based Mesh Adaptation via Geometry of Interpolation
Error
SO COMPUTATIONAL MATHEMATICS AND MATHEMATICAL PHYSICS
LA English
DT Article
DE optimal mesh; interpolation error; metric based adaptation
ID GENERATION
AB The article presents analysis of a new methodology for generating meshes minimizing L(p)-norms of the interpolation error or its gradient, p > 0. The key element of the methodology is the construction of a metric from node-based and edge-based values of a given function. For a mesh with N(h) triangles, we demonstrate numerically that L(infinity)-norm of the interpolation error is proportional to N(h)(-1) and L(infinity)-norm of the gradient of the interpolation error is proportional to N(h)(-1). The methodology can be applied to adaptive solution of PDEs provided that edge-based a posteriori error estimates are available.
C1 [Agouzal, A.] Univ Lyon 1, Anal Numer Lab, F-69622 Villeurbanne, France.
[Lipnikov, K.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Vassilevski, Yu.] Russian Acad Sci, Inst Numer Math, Moscow 119333, Russia.
RP Agouzal, A (reprint author), Univ Lyon 1, Anal Numer Lab, 43 Bd 11 Novembre 1918, F-69622 Villeurbanne, France.
EM Abdellatif.Agouzal@univ-lyon.1.fr; lipnikov@lanl.gov;
vasilevs@dodo.inm.ras.ru
RI Vassilevski, Yuri/A-6068-2016
FU RFBR [08-01-00159]; Optimal methods for problems of mathematical
physics; Scientific and pedagogical personnel of innovative Russia
FX Research of the third author has been supported partially by the RFBR
project 08-01-00159, the academic program "Optimal methods for problems
of mathematical physics" and by the Federal Program "Scientific and
pedagogical personnel of innovative Russia."
NR 16
TC 10
Z9 10
U1 0
U2 3
PU MAIK NAUKA/INTERPERIODICA/SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA
SN 0965-5425
J9 COMP MATH MATH PHYS+
JI Comput. Math. Math. Phys.
PD JAN
PY 2010
VL 50
IS 1
BP 124
EP 138
DI 10.1134/S0965542510010112
PG 15
WC Mathematics, Applied; Physics, Mathematical
SC Mathematics; Physics
GA 591WR
UT WOS:000277336400011
ER
PT S
AU Matthews, JF
Himmel, ME
Brady, JW
AF Matthews, James F.
Himmel, Michael E.
Brady, John W.
BE Nimlos, MR
Crowley, MF
TI Simulations of the Structure of Cellulose
SO COMPUTATIONAL MODELING IN LIGNOCELLULOSIC BIOFUEL PRODUCTION
SE ACS Symposium Series
LA English
DT Article; Book Chapter
ID NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; SYNCHROTRON X-RAY;
MOLECULAR-DYNAMICS; CRYSTALLINE CELLULOSE; I-BETA; ACETOBACTER-XYLINUM;
STEPWISE HYDRATION; MERCERIZED COTTON; LIQUID WATER
AB Cellulose is the homopolymer of (1 -> 4)-beta-D-glucose. The chemical composition of this polymer is simple, but understanding the conformation and packing of cellulose molecules is challenging. This chapter describes the structure of cellulose from the perspective of molecular mechanics simulations, including conformational analysis of cellobiose and simulations of hydrated cellulose I beta with CSFF and GLYCAM06, two sets of force field parameters developed specifically for carbohydrates. Many important features observed in these simulations are sensitive to differences in force field parameters, giving rise to dramatically different structures. The structures and properties of non-naturally occurring cellulose allomorphs (II, HI, and IV) are also discussed.
C1 [Matthews, James F.; Himmel, Michael E.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA.
[Brady, John W.] Cornell Univ, Dept Food Sci, Ithaca, NY 14853 USA.
RP Matthews, JF (reprint author), Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA.
EM james.matthews@nrel.gov
NR 55
TC 5
Z9 5
U1 1
U2 9
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2571-8
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2010
VL 1052
BP 17
EP 53
D2 10.1021/bk-2010-1052
PG 37
WC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics,
Applied
SC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics
GA BAY24
UT WOS:000306023900002
ER
PT S
AU Petridis, L
Xu, JC
Crowley, MF
Smith, JC
Cheng, XL
AF Petridis, Loukas
Xu, Jiancong
Crowley, Michael F.
Smith, Jeremy C.
Cheng, Xiaolin
BE Nimlos, MR
Crowley, MF
TI Atomistic Simulation of Lignocellulosic Biomass and Associated
Cellulosomal Protein Complexes
SO COMPUTATIONAL MODELING IN LIGNOCELLULOSIC BIOFUEL PRODUCTION
SE ACS Symposium Series
LA English
DT Article; Book Chapter
ID MOLECULAR-DYNAMICS SIMULATIONS; COHESIN-DOCKERIN INTERACTION; NEUTRON
FIBER DIFFRACTION; GUAIACYL BETA-O-4 DIMER; HYDROGEN-BONDING SYSTEM;
MECHANICS FORCE-FIELD; SYNCHROTRON X-RAY; PLANT-CELL-WALL;
CRYSTAL-STRUCTURE; CLOSTRIDIUM-THERMOCELLUM
AB Computer simulations have been performed to obtain an atomic-level understanding of lignocellulose structure and the assembly of its associated cellulosomal protein complexes. First, a CHARMM molecular mechanics force field for lignin is derived and validated by performing a molecular dynamics simulation of a crystal of a lignin fragment molecule and comparing simulation-derived structural features with experimental results. Together with the existing force field for polysaccharides, this work provides the basis for full simulations of lignocellulose. Second, the underlying molecular mechanism governing the assembly of various cellulosomal modules is investigated by performing a novel free-energy calculation of the cohesin-dockerin dissociation. Our calculation indicates a free-energy barrier of similar to 17 kcal/mol and further reveals a stepwise dissociation pathway involving both the central beta-sheet interface and its adjacent solvent-exposed loop/turn regions clustered at both ends of the beta-barrel structure.
C1 [Petridis, Loukas; Xu, Jiancong; Smith, Jeremy C.; Cheng, Xiaolin] Univ Tennessee, ORNL Ctr Mol Biophys, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Crowley, Michael F.] Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO 80401 USA.
RP Petridis, L (reprint author), Univ Tennessee, ORNL Ctr Mol Biophys, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM Petridisl@ornl.gov
NR 55
TC 0
Z9 0
U1 0
U2 2
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2571-8
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2010
VL 1052
BP 55
EP 73
D2 10.1021/bk-2010-1052
PG 19
WC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics,
Applied
SC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics
GA BAY24
UT WOS:000306023900003
ER
PT S
AU Bomble, YJ
Crowley, MF
Xu, Q
Himmel, ME
AF Bomble, Yannick J.
Crowley, Michael F.
Xu, Qi
Himmel, Michael E.
BE Nimlos, MR
Crowley, MF
TI Modeling the Cellulosome Using Multiscale Methods
SO COMPUTATIONAL MODELING IN LIGNOCELLULOSIC BIOFUEL PRODUCTION
SE ACS Symposium Series
LA English
DT Article; Book Chapter
ID THERMOCELLUM CELLOBIOHYDROLASE CBHA; CLOSTRIDIUM-THERMOCELLUM;
MOLECULAR-DYNAMICS; ACETIVIBRIO-CELLULOLYTICUS; HARMONIC-ANALYSIS;
STRUCTURAL BASIS; LARGE SYSTEMS; SIMULATION; COMPLEXES; FLEXIBILITY
AB Deriving renewable liquid fuels from biomass using microbial conversion, which utilizes free enzymes or cellulosomes for degrading cell wall material to sugars, is an attractive solution for today's energy challenges. The study of the structure and mechanism of these large macromolecular complexes is an active and ongoing research topic worldwide, with the goal of finding ways to improve biomass conversion using cellulosomes. Here, we present methods for illuminating the structure and function of systems of this size and complexity using molecular modeling. We show examples of these methods as applied to a range of sizes and time scales from atomistic models of enzymatic modules to coarse-grained models of the entire cellulosomal complex of scaffold and enzymes. Normal mode analysis, fluctuations, hydrogen-bond analysis of enzymes, as well as sampling techniques for cellulosome assembly are described and the results presented. For example, the mechanism of the immunoglobulin-like module of GH9 proteins is shown to be determined largely by hydrogen bond networks, and the exact hydrogen bonds were identified. Finally, by using coarse-grained modeling and parameter scanning techniques, the assembly of cellulosomal complexes is shown to be dominated by their size and shape and not by their mass.
C1 [Bomble, Yannick J.] BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA.
Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Bomble, YJ (reprint author), BioEnergy Sci Ctr, Oak Ridge, TN 37831 USA.
EM yannick.bomble@nrel.gov
NR 50
TC 0
Z9 1
U1 1
U2 6
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2571-8
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2010
VL 1052
BP 75
EP 98
D2 10.1021/bk-2010-1052
PG 24
WC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics,
Applied
SC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics
GA BAY24
UT WOS:000306023900004
ER
PT S
AU Bu, LT
Himmel, ME
Nimlos, MR
AF Bu, Lintao
Himmel, Michael E.
Nimlos, Mark R.
BE Nimlos, MR
Crowley, MF
TI Meso-Scale Modeling of Polysaccharides in Plant Cell Walls: An
Application to Translation of CBMs on the Cellulose Surface
SO COMPUTATIONAL MODELING IN LIGNOCELLULOSIC BIOFUEL PRODUCTION
SE ACS Symposium Series
LA English
DT Article; Book Chapter
ID I-BETA CELLULOSE; CARBOHYDRATE-BINDING MODULES; CELLOBIOHYDROLASE-I;
MOLECULAR-DYNAMICS; COMPUTER-SIMULATION; CRYSTAL-STRUCTURE; ENERGY
LANDSCAPE; FAMILY-I; PROTEIN; DOMAIN
AB A coarse-grained model and force field for simulating cellulose I beta surface (1,0,0) was derived, in which each beta-D-glucose unit is represented by three beads. The coarse-grained model can reproduce a stable cellulose (1,0,0) surface with an excellent agreement with an all-atom model. When used to study the interaction of the family 1 carbohydrate-binding module (CBM1) with this cellulose surface model, the CBM "opens" as in earlier atomistic simulations. This cellulose I beta surface model produces simulations in which the CBM translates along a broken cellodextrin chain. This processive motion of the exoglucanase cellobiohydrolase I has long been suggested by experimental studies, but has never before been observed in computer simulations.
C1 [Bu, Lintao; Nimlos, Mark R.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
[Himmel, Michael E.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA.
RP Bu, LT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
EM Lintao.bu@nrel.gov
NR 61
TC 3
Z9 3
U1 0
U2 4
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2571-8
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2010
VL 1052
BP 99
EP 117
D2 10.1021/bk-2010-1052
PG 19
WC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics,
Applied
SC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics
GA BAY24
UT WOS:000306023900005
ER
PT S
AU McCabe, C
Zhao, XC
Adney, WS
Himmel, ME
AF McCabe, Clare
Zhao, Xiongce
Adney, William S.
Himmel, Michael E.
BE Nimlos, MR
Crowley, MF
TI Energy Storage in Cellulase Linker Peptides?
SO COMPUTATIONAL MODELING IN LIGNOCELLULOSIC BIOFUEL PRODUCTION
SE ACS Symposium Series
LA English
DT Article; Book Chapter
ID X-RAY-SCATTERING; TRICHODERMA-REESEI; MOLECULAR-DYNAMICS;
CELLOBIOHYDROLASE-I; BINDING DOMAINS; ENDOGLUCANASE-I; HEMICELLULASES;
CELLULOSOME; SIMULATIONS; FLEXIBILITY
AB In this chapter, we discuss the use of molecular dynamics simulations and free-energy calculations to investigate the possible role the linker polypeptide, common to many cellulase enzymes, plays in the enzymatic hydrolysis of cellulose. In particular, we focus on the linker polypeptide from cellobiohydrolase I (CBH 1) from Trichoderma reesei, which is one of the most active cellulase enzymes. CBH I is a multi-domain enzyme, consisting of a large catalytic domain containing an active site tunnel and a small cellulose binding module, which are joined together by a 27-amino-acid residue linker peptide. CBH I is believed to hydrolyze cellulose in a "processive" manner; however, the exact mechanism of the depolymerization of cellulose by CBH I is not fully understood. It has been hypothesized that the flexible interdomain linker mediates a caterpillar-like motion that enables the enzyme to move along the cellodextrin strand. Although the linker polypeptide sequence is known, the spatial conformation adopted by the linker domain and its role in the hydrolysis process, if any, has yet to be determined. The simulation results obtained to date indicate that the CBH I linker's free energy is critically dependent on the existence of the cellulose substrate and the stretching/compression pathway adopted. In the presence of a cellulose surface, simulations suggest that the linker exhibits two stable states, which would support the hypothesis that the linker peptide has the capacity to store energy in a manner similar to a spring and facilitate a caterpillar-like motion.
C1 [McCabe, Clare] Vanderbilt Univ, Dept Chem & Biomol Engn, Nashville, TN 37235 USA.
[McCabe, Clare] Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA.
[Zhao, Xiongce] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Adney, William S.; Himmel, Michael E.] Natl Renewable Energy Lab, Chem & Biosci Ctr, Golden, CO USA.
RP McCabe, C (reprint author), Vanderbilt Univ, Dept Chem & Biomol Engn, Nashville, TN 37235 USA.
EM c.mccabe@vanderbilt.edu
RI McCabe, Clare/I-8017-2012
OI McCabe, Clare/0000-0002-8552-9135
NR 51
TC 2
Z9 2
U1 0
U2 1
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2571-8
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2010
VL 1052
BP 119
EP 134
D2 10.1021/bk-2010-1052
PG 16
WC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics,
Applied
SC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics
GA BAY24
UT WOS:000306023900006
ER
PT S
AU Saharay, M
Guo, HB
Smith, JC
Guo, H
AF Saharay, Moumita
Guo, Hao-Bo
Smith, Jeremy C.
Guo, Hong
BE Nimlos, MR
Crowley, MF
TI QM/MM Analysis of Cellulase Active Sites and Actions of the Enzymes on
Substrates
SO COMPUTATIONAL MODELING IN LIGNOCELLULOSIC BIOFUEL PRODUCTION
SE ACS Symposium Series
LA English
DT Article; Book Chapter
ID MOLECULAR-DYNAMICS SIMULATIONS; BETA-CELLOBIOSYL FLUORIDES; 2.0 ANGSTROM
RESOLUTION; TIGHT-BINDING METHOD; SCC-DFTB METHOD; TRICHODERMA-REESEI;
CELLOBIOHYDROLASE-II; GLYCOSYL HYDROLASES; CATALYTIC MECHANISM;
CRYSTAL-STRUCTURE
AB Biodegradation of cellulosic biomass requires the actions of three types of secreted enzymes; endoglucanase (EC 3.2.1.4), cellobiohydrolase or exoglucanase (EC 3.2.1.91), and beta-glucosidase (EC 4.2.1.21). These enzymes act synergistically to hydrolyse the beta-1,4 bonds of cellulose and converts it into simple sugar. Hydrolysis of the glycosidic bond can occur either by net retention or by inversion of anomeric configuration at the anomeric center. QM/MM simulations are useful tools to study the energetics of the reactions and analyze the active-site structures at different states of the catalysis, including the formation of unstable transition states. Here, a brief description of previous work on glycoside hydrolases is first given. The results of the QM/MM potential energy and free energy simulations corresponding to glycosylation and deglycosylation processes are then provided for two retaining endoglucanases, Cell2A and Cel5A. The active-site structural features are analyzed based on the QM/MM results. The role of different residues and hydrogen bonding interactions during the catalysis and the importance of the sugar ring distortion are discussed for these two enzymes.
C1 [Saharay, Moumita; Guo, Hao-Bo; Smith, Jeremy C.; Guo, Hong] Univ Tennessee, ORNL Ctr Mol Biophys, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Guo, Hao-Bo; Smith, Jeremy C.; Guo, Hong] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37966 USA.
RP Saharay, M (reprint author), Univ Tennessee, ORNL Ctr Mol Biophys, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM hguo1@utk.edu
RI saharay, moumita/K-7397-2012;
OI Guo, Hao-Bo/0000-0003-1321-1758
NR 66
TC 3
Z9 3
U1 0
U2 7
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2571-8
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2010
VL 1052
BP 135
EP 154
D2 10.1021/bk-2010-1052
PG 20
WC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics,
Applied
SC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics
GA BAY24
UT WOS:000306023900007
ER
PT S
AU Engelkemier, J
Windus, TL
AF Engelkemier, Joshua
Windus, Theresa L.
BE Nimlos, MR
Crowley, MF
TI Quantum Mechanical Modeling of Sugar Thermochemistry
SO COMPUTATIONAL MODELING IN LIGNOCELLULOSIC BIOFUEL PRODUCTION
SE ACS Symposium Series
LA English
DT Article; Book Chapter
ID GAUSSIAN-BASIS SETS; CORRELATED MOLECULAR CALCULATIONS; CONSISTENT
COMPOSITE APPROACH; ZERO-POINT ENERGIES; QUADRATIC
CONFIGURATION-INTERACTION; DENSITY-FUNCTIONAL GEOMETRIES; AB-INITIO
THERMOCHEMISTRY; 2ND ROW ATOMS; WAVE-FUNCTIONS; ELECTRONIC-STRUCTURE
AB The recently developed homodesmotic hierarchy for hydrocarbons is extended to include oxygen so that accurate thermochemical quantities for sugars and sugar polymers may be computed with relatively small computational cost. In particular, the method will allow for the determination of heats of formation, which can be used to determine bond strengths important in the decomposition of sugars in, for example, the pyrolysis of biomass. This chapter includes a brief review of the current methodology for calculating thermodynamic properties using electronic structure methods and a description of the proposed extensions. Preliminary results using the lowest members of the hierarchy give a standard heat of formation value of beta-D-glucopyranose-gg to be approximately 250 to 260 kcal/mol. These results are promising, and future work will include the calculation of highly accurate building blocks on which this method is based.
C1 [Engelkemier, Joshua; Windus, Theresa L.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
[Windus, Theresa L.] Ames Lab, Ames, IA 50011 USA.
RP Engelkemier, J (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
EM Theresa@fi.ameslab.gov
NR 82
TC 0
Z9 0
U1 0
U2 1
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2571-8
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2010
VL 1052
BP 179
EP 199
D2 10.1021/bk-2010-1052
PG 21
WC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics,
Applied
SC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics
GA BAY24
UT WOS:000306023900009
ER
PT S
AU Pannala, S
Simunovic, S
Frantziskonis, G
AF Pannala, Sreekanth
Simunovic, Srdjan
Frantziskonis, George
BE Nimlos, MR
Crowley, MF
TI Multiscale/Multiphysics Modeling of Biomass Thermochemical Processes
SO COMPUTATIONAL MODELING IN LIGNOCELLULOSIC BIOFUEL PRODUCTION
SE ACS Symposium Series
LA English
DT Article; Book Chapter
ID HETEROGENEOUS MULTISCALE METHODS; DISCRETE PARTICLE SIMULATION;
MONTE-CARLO-SIMULATION; LATTICE BOLTZMANN METHOD; FLUIDIZED-BEDS;
NUMERICAL-SIMULATION; REACTIVE MICROFLOWS; AVERAGED EQUATIONS; ETHYLENE
HYDROGENATION; FLOWS
C1 [Pannala, Sreekanth] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
[Simunovic, Srdjan; Frantziskonis, George] Univ Arizona, Tucson, AZ 85721 USA.
RP Pannala, S (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
EM pannalas@ornl.gov
NR 68
TC 4
Z9 4
U1 0
U2 1
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2571-8
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2010
VL 1052
BP 245
EP 271
D2 10.1021/bk-2010-1052
PG 27
WC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics,
Applied
SC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics
GA BAY24
UT WOS:000306023900011
ER
PT S
AU Pepiot, P
Dibble, CJ
Foust, TD
AF Pepiot, P.
Dibble, C. J.
Foust, T. D.
BE Nimlos, MR
Crowley, MF
TI Computational Fluid Dynamics Modeling of Biomass Gasification and
Pyrolysis
SO COMPUTATIONAL MODELING IN LIGNOCELLULOSIC BIOFUEL PRODUCTION
SE ACS Symposium Series
LA English
DT Article; Book Chapter
ID LARGE-EDDY SIMULATION; DISCRETE PARTICLE SIMULATION; SITU ADAPTIVE
TABULATION; BED REACTOR; NUMERICAL-SIMULATION; STEAM GASIFICATION; WOOD
PARTICLES; EXPERIMENTAL VALIDATION; HYDRODYNAMIC MODELS; SIZE
DISTRIBUTION
AB Biomass thermochemical conversion holds great promise for producing biofuels and will play a determining role in displacing petroleum-based fuel consumption toward renewable sources. Empirical approaches have shown severe limitations in their capability to understand and control the conversion processes. However, without the ability to accurately predict and optimize thermochemical conversion performance, large-scale commercialization of these systems is severely compromised. In this context, Computational Fluid Dynamics (CFD) appears as an essential tool to better comprehend the complex physical and chemical processes involved, paving the way toward efficient control and design strategies. After a brief description of the numerical models needed to simulate biomass gasification and pyrolysis, the contributions of CFD to process design and optimization are detailed. Finally, the state of the art in terms of numerical models for the dense, reactive particulate flows typically found in conversion processes are reviewed. Shortcomings of existing CFD simulations, especially in terms of validation and predictability, are examined; and directions for future research based on the progress of CFD in other fields are suggested.
C1 [Pepiot, P.; Dibble, C. J.; Foust, T. D.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Pepiot, P (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM perrine.pepiot@nrel.gov
NR 115
TC 6
Z9 6
U1 2
U2 3
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2571-8
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2010
VL 1052
BP 273
EP 298
D2 10.1021/bk-2010-1052
PG 26
WC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics,
Applied
SC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics
GA BAY24
UT WOS:000306023900012
ER
PT S
AU Beckham, GT
Peters, B
AF Beckham, Gregg T.
Peters, Baron
BE Nimlos, MR
Crowley, MF
TI New Methods To Find Accurate Reaction Coordinates by Path Sampling
SO COMPUTATIONAL MODELING IN LIGNOCELLULOSIC BIOFUEL PRODUCTION
SE ACS Symposium Series
LA English
DT Article; Book Chapter
ID TRICHODERMA-REESEI CEL7A; REACTION-RATE CONSTANTS; FREE-ENERGY PROFILES;
MOLECULAR-DYNAMICS; TRANSITION-STATES; ALANINE DIPEPTIDE; MEAN FORCE;
KINETIC PATHWAYS; CONFORMATIONAL TRANSITIONS; CRYSTAL-NUCLEATION
AB Complex, high-dimensional systems are often characterized by dynamical bottlenecks, or rare events, that determine the rate of evolution of a given system. As the transition states through the dynamical bottlenecks are often difficult to capture experimentally, theory and computation are useful tools to elucidate transition states. This review describes a set of computational methods that enable the rigorous determination of mechanisms, free energy barriers, and rate constants for activated processes in complex, high-dimensional systems. The transition path sampling method for sampling reactive pathways and a subsequent methodological development, aimless shooting, are reviewed. Likelihood maximization, which is a method to extract the reaction coordinate of an activate process from path sampling data, is discussed in detail. In addition, the equilibrium path sampling approach and the earlier BOLAS approach for determining free energy barriers are examined. These techniques offer a means to access kinetically meaningful results from molecular simulation of activated processes in complex systems.
C1 [Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
[Peters, Baron] Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA.
[Peters, Baron] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA.
RP Beckham, GT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
EM gregg.beckham@nrel.gov; baronp@engineering.ucsb.edu
NR 111
TC 2
Z9 2
U1 1
U2 10
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2571-8
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2010
VL 1052
BP 299
EP 332
D2 10.1021/bk-2010-1052
PG 34
WC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics,
Applied
SC Biotechnology & Applied Microbiology; Energy & Fuels; Mathematics
GA BAY24
UT WOS:000306023900013
ER
PT S
AU Liu, F
Sosonkina, M
Bramley, R
AF Liu, Fang
Sosonkina, Masha
Bramley, Randall
BE Taniar, D
Gervasi, O
Murgante, B
Pardede, E
Apduhan, BO
TI A New Approach: Component-Based Multi-physics Coupling through CCA-LISI
SO COMPUTATIONAL SCIENCE AND ITS APPLICATIONS - ICCSA 2010, PT 2,
PROCEEDINGS
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT International Conference on Computational Science and Its Applications
CY MAR 20-28, 2010
CL Fukuoka, JAPAN
SP Univ Perugia, Monash Univ, La Trobe Univ, Univ Basilicata, Kyushu Sangyo Univ
DE Parallel model coupling; Component architecture and interface; Sparse
matrix computation
ID INTEGRATED SIMULATION; FRAMEWORK; MODELS
AB A new problem in scientific computing is the merging of existing simulation models to create new, higher fidelity combined models. This has been a driving force in climate modeling for nearly a decade now, and fusion energy, space weather modeling are starting to integrate different sub-physics into a single model. Through component-based software engineering, an interface supporting this coupling process provides a way to invoke the sub-model through the common interface which the top model uses, then a coupled model turns into a higher level model. In addition to allowing applications to switch among linear solvers, a linear solver interface is also needed for the model coupling. A linear solver interface helps in creating solvers for the integrated multi-physics simulation that combines separate codes, and can use each code's native and specialized solver for the sub-problem corresponding to each physics sub-model. This paper presents a new approach on coupling multi-physics codes in terms of coupled solver, and shows the successful proof for coupled simulation through the implicit solve.
C1 [Liu, Fang; Sosonkina, Masha] US DOE, Scalable Comp Lab, Ames Lab, Wilhelm Hall 329, Ames, IA 50010 USA.
[Bramley, Randall] Indiana Univ, Dept Comp Sci, Bloomington, IN 47405 USA.
RP Liu, F (reprint author), US DOE, Scalable Comp Lab, Ames Lab, Wilhelm Hall 329, Ames, IA 50010 USA.
EM fangliu@scl.ameslab.gov; masha@scl.ameslab.gov; bramley@cs.indiana.edu
NR 27
TC 1
Z9 1
U1 0
U2 7
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-642-12164-7
J9 LECT NOTES COMPUT SC
PY 2010
VL 6017
BP 503
EP +
PG 3
WC Computer Science, Information Systems; Computer Science, Software
Engineering; Computer Science, Theory & Methods
SC Computer Science
GA BPN26
UT WOS:000279383700040
ER
PT J
AU Nordman, B
Christensen, K
AF Nordman, Bruce
Christensen, Ken
TI Proxying: The Next Step in Reducing IT Energy Use
SO COMPUTER
LA English
DT Editorial Material
C1 [Nordman, Bruce] Lawrence Berkeley Natl Lab, Energy Anal Dept, Berkeley, CA USA.
[Christensen, Ken] Univ S Florida, Dept Comp Sci & Engn, Tampa, FL 33620 USA.
RP Nordman, B (reprint author), Lawrence Berkeley Natl Lab, Energy Anal Dept, Berkeley, CA USA.
EM bnordman@lbl.gov; christen@cse.usf.edu
NR 0
TC 14
Z9 14
U1 0
U2 1
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 0018-9162
J9 COMPUTER
JI Computer
PD JAN
PY 2010
VL 43
IS 1
BP 91
EP 93
PG 3
WC Computer Science, Hardware & Architecture; Computer Science, Software
Engineering
SC Computer Science
GA 545MW
UT WOS:000273737500017
ER
PT J
AU Meredith, JS
Childs, H
AF Meredith, Jeremy S.
Childs, Hank
TI Visualization and Analysis-Oriented Reconstruction of Material
Interfaces
SO COMPUTER GRAPHICS FORUM
LA English
DT Article
AB Reconstructing boundaries along material interfaces from volume fractions is a difficult problem, especially because the under-resolved nature of the input data allows for many correct interpretations. Worse, algorithms widely accepted as appropriate for simulation are inappropriate for visualization. In this paper, we describe a new algorithm that is specifically intended for reconstructing material interfaces for visualization and analysis requirements. The algorithm performs well with respect to memory footprint and execution time, has desirable properties in various accuracy metrics, and also produces smooth surfaces with few artifacts, even when faced with more than two materials per cell.
C1 [Meredith, Jeremy S.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Childs, Hank] Univ Calif Davis, Davis, CA 95616 USA.
[Childs, Hank] Lawrence Berkeley Lab, Davis, CA USA.
RP Meredith, JS (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA.
FU U.S. Department of Energy [DE-AC05-00OR22725, DE-AC02-05CH11231]
FX This work was supported by the Director, Office of Advanced Scientific
Computing Research, Office of Science, of the U.S. Department of Energy
under Contracts DE-AC05-00OR22725 and DE-AC02-05CH11231 through the
Scientific Discovery through Advanced Computing (SciDAC) program's
Visualization and Analytics Center for Enabling Technologies (VACET).
Accordingly, the U.S. 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 U.S. Government purposes.
NR 16
TC 3
Z9 3
U1 1
U2 4
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0167-7055
EI 1467-8659
J9 COMPUT GRAPH FORUM
JI Comput. Graph. Forum
PY 2010
VL 29
IS 3
BP 1241
EP 1250
DI 10.1111/j.1467-8659.2009.01671.x
PG 10
WC Computer Science, Software Engineering
SC Computer Science
GA 639RF
UT WOS:000280991300048
ER
PT J
AU Foulk, JW
AF Foulk, J. W., III
TI An examination of stability in cohesive zone modeling
SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
LA English
DT Article
DE Crack stability; Fracture toughness; Ceramic material; Finite elements
ID BRITTLE MATERIALS; CRACK MODEL; TOUGHNESS; STRENGTH; FRACTURE;
DECOHESION; INTERFACE
AB Stable crack propagation hinges on the driving force and the resistance. In the context of a cohesive approach to fracture, properly resolving the cohesive zone ensures that the resistance is in equilibrium with the driving force. Additional restrictions on the mesh size can stem from crack stability. For high strength, low toughness (brittle) materials, the requirements for stability can exceed those for cohesive zone resolution. Examples in 1-D and 2-D reveal that decrements in the mesh size transition the system from indefinite to positive definite. Moreover, small decreases in the mesh size beyond the transition provide substantial reductions in the condition number. We contrast a physical instability resulting from material properties, geometry, or boundary conditions from a numerical instability resulting from the mesh size and propose that the selected discretization should ensure that the cohesive zone is both resolved and stabilized. (C) 2009 Published by Elsevier B.V.
C1 Sandia Natl Labs, Livermore, CA 94550 USA.
RP Foulk, JW (reprint author), Sandia Natl Labs, 7011 East Ave,MS 9042, Livermore, CA 94550 USA.
EM jwfoulk@sandia.gov
FU Sandia Corporation; United States Department of Energy
[DE-AC04-94AL85000]
FX J.W.F. is grateful for the support of Sandia National Laboratories,
operated by Sandia Corporation, a Lockheed Martin Company, for the
United States Department of Energy under contract DE-AC04-94AL85000 and
fruitful interaction with R.O. Ritchie and G.C. Johnson. The author
would also like to acknowledge the kind words of M.D. Thouless during a
visit to Berkeley in 2004. His observation that one can scale the
contribution of the cohesive surface elements with the mesh size
provided the genesis of this small contribution.
NR 22
TC 5
Z9 5
U1 1
U2 8
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0045-7825
J9 COMPUT METHOD APPL M
JI Comput. Meth. Appl. Mech. Eng.
PY 2010
VL 199
IS 9-12
BP 465
EP 470
DI 10.1016/j.cma.2009.08.025
PG 6
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications; Mechanics
SC Engineering; Mathematics; Mechanics
GA 556EQ
UT WOS:000274572600005
ER
PT J
AU Schmidt, RC
Kerstein, AR
McDermott, R
AF Schmidt, Rodney C.
Kerstein, Alan R.
McDermott, Randall
TI ODTLES: A multi-scale model for 3D turbulent flow based on
one-dimensional turbulence modeling
SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
LA English
DT Article
DE Turbulence; LES; ODT; Multi-scale
ID LARGE-EDDY SIMULATION; ISOTROPIC TURBULENCE; FORMULATION
AB A novel multi-scale approach for extending the one-dimensional turbulence (ODT) model of [A.R. Kerstein. One-dimensional turbulence: model formulation and application to homogeneous turbulence, shear flows, and buoyant stratified flows, J. Fluid Mech. 392 (1999) 2771 to treat turbulent flow in three-dimensional (3D) domains is described. in this model, here called ODTLES, 3D aspects of the flow are captured by embedding three, mutually orthogonal, one-dimensional ODT domain arrays within a coarser 3D mesh. The ODTLES model is obtained by developing a consistent approach for dynamically coupling the different ODT line sets to each other and to the large scale processes that are resolved on the 3D mesh. The model is implemented computationally and its performance is tested by performing simulations of decaying isotropic turbulence at two different Reynolds numbers and comparing to the experimental data of [H. Kang, S. Chester, C. Meneveau. Decaying turbulence in an active-grid-generated flow and comparisons with large-eddy simulations, J. Fluid Mech. 480 (2003) 129; G. Comte-Bellot, S. Corrsin, Simple Eulerian correlation of full-and narrow band velocity signals in grid-generated 'isotropic' turbulence, J. Fluid Mech. 48 (1971) 273]. (C) 2008 Elsevier B.V. All rights reserved.
C1 [Schmidt, Rodney C.] Sandia Natl Labs, Computat Comp & Math Ctr, Albuquerque, NM 87185 USA.
[Kerstein, Alan R.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
[McDermott, Randall] NIST, Gaithersburg, MD 20899 USA.
RP Schmidt, RC (reprint author), Sandia Natl Labs, Computat Comp & Math Ctr, POB 5800, Albuquerque, NM 87185 USA.
EM rcschmi@sandia.gov
NR 18
TC 16
Z9 16
U1 0
U2 11
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0045-7825
J9 COMPUT METHOD APPL M
JI Comput. Meth. Appl. Mech. Eng.
PY 2010
VL 199
IS 13-16
SI SI
BP 865
EP 880
DI 10.1016/j.cma.2008.05.028
PG 16
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications; Mechanics
SC Engineering; Mathematics; Mechanics
GA 559LW
UT WOS:000274827400010
ER
PT J
AU Ortiz, A
Puso, MA
Sukumar, N
AF Ortiz, A.
Puso, M. A.
Sukumar, N.
TI Maximum-entropy meshfree method for compressible and near-incompressible
elasticity
SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
LA English
DT Article
DE Linear elasticity; Volumetric locking; Assumed strain; Numerical
integration; Maximum entropy principle; Convex approximation
ID ELEMENT-FREE GALERKIN; ASSUMED STRAIN METHODS; MOVING LEAST-SQUARES;
MESHLESS METHODS; NODAL INTEGRATION; PARTICLE METHODS;
NUMERICAL-INTEGRATION; UNITY QUADRATURE; FINITE-ELEMENTS; TETRAHEDRAL
ELEMENT
AB Numerical integration errors and volumetric locking in the near-incompressible limit are two outstanding issues in Galerkin-based meshfree computations. In this paper, we present a modified Gaussian integration scheme on background cells for meshfree methods that alleviates errors in numerical integration and ensures patch test satisfaction to machine precision. Secondly, a locking-free small-strain elasticity formulation for meshfree methods is proposed, which draws on developments in assumed strain methods and nodal integration techniques. In this study, maximum-entropy basis functions are used: however, the generality of our approach permits the use of any meshfree approximation. Various benchmark problems in two-dimensional compressible and near-incompressible small strain elasticity are presented to demonstrate the accuracy and optimal convergence in the energy norm of the maximum-entropy meshfree formulation. (C) 2010 Elsevier B.V. All rights reserved.
C1 [Ortiz, A.; Sukumar, N.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA.
[Puso, M. A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Sukumar, N (reprint author), Univ Calif Davis, Dept Civil & Environm Engn, 1 Shields Ave, Davis, CA 95616 USA.
EM nsukumar@ucdavis.edu
RI Ortiz-Bernardin, Alejandro/B-2660-2009; Sukumar, N/B-1660-2008
OI Ortiz-Bernardin, Alejandro/0000-0001-9221-2470;
FU National Science Foundation [CMMI-0626481, CMMI-0826513]; U.S.
Department of Energy [DE-AC52-07NA27344]
FX The authors (A. Ortiz and N. Sukumar) gratefully acknowledge the
research support of the National Science Foundation through contract
grants CMMI-0626481 and CMMI-0826513 to the University of California at
Davis.; 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 67
TC 32
Z9 32
U1 0
U2 10
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0045-7825
J9 COMPUT METHOD APPL M
JI Comput. Meth. Appl. Mech. Eng.
PY 2010
VL 199
IS 25-28
BP 1859
EP 1871
DI 10.1016/j.cma.2010.02.013
PG 13
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications; Mechanics
SC Engineering; Mathematics; Mechanics
GA 605LT
UT WOS:000278349800018
ER
PT J
AU Phan, AV
Gray, LJ
Salvadori, A
AF Phan, A. -V.
Gray, L. J.
Salvadori, A.
TI Transient analysis of the dynamic stress intensity factors using SGBEM
for frequency-domain elastodynamics
SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
LA English
DT Article
DE Symmetric-Galerkin boundary element method; Elastodynamics; Dynamic
fracture analysis; Dynamic stress intensity factors; Transient responses
ID BOUNDARY-ELEMENT METHOD; HYPERSINGULAR INTEGRALS; FRACTURE-ANALYSIS;
CRACK PROBLEMS; COMPUTATION
AB In this paper, a two-dimensional symmetric-Galerkin boundary integral formulation for elastodynamic fracture analysis in the frequency domain is described. The numerical implementation is carried out with quadratic elements, allowing the use of an improved quarter-point element for accurately determining frequency responses of the dynamic stress intensity factors (DSIFs). To deal with singular and hypersingular integrals, the formulation is decomposed into two parts: the first part is identical to that for elastostatics while the second part contains at most logarithmic singularities. The treatment of the elastostatic singular and hypersingular singular integrals employs an exterior limit to the boundary, while the weakly singular integrals in the second part are handled by Gauss quadrature. Time histories (transient responses) of the DSIFs can be obtained in a post-processing step by applying the standard fast Fourier transform (FFT) and algorithm to the frequency responses of these DSIFs. Several test examples are presented for the calculation of the DSIFs due to two types of impact loading: Heaviside step loading and blast loading. The results suggest that the combination of the symmetric-Galerkin boundary element method and standard FFT algorithms in determining transient responses of the DSIFs is a robust and effective technique. (C) 2010 Elsevier B.V. All rights reserved.
C1 [Phan, A. -V.] Univ S Alabama, Dept Mech Engn, Mobile, AL 36688 USA.
[Gray, L. J.; Salvadori, A.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
[Salvadori, A.] Univ Brescia, Dept Civil Engn, I-25123 Brescia, Italy.
RP Phan, AV (reprint author), Univ S Alabama, Dept Mech Engn, Mobile, AL 36688 USA.
EM vphan@jaguar1.usouthal.edu
RI Salvadori, Alberto/C-7225-2008
OI Salvadori, Alberto/0000-0002-4875-7059
FU NSF [CMMI-0653796]; NASA [NNM07AA09A-03]; Office of Advanced Scientific
Computing Research, US Department of Energy [DE-AC05-00OR22725]
FX This research was supported in part by the NSF Grant CMMI-0653796 and
NASA Grant NNM07AA09A-03 to A-VP, and by the Office of Advanced
Scientific Computing Research, US Department of Energy, under contract
DE-AC05-00OR22725 with UT-Battelle, LLC, to LJG.
NR 37
TC 12
Z9 12
U1 0
U2 6
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0045-7825
J9 COMPUT METHOD APPL M
JI Comput. Meth. Appl. Mech. Eng.
PY 2010
VL 199
IS 45-48
BP 3039
EP 3050
DI 10.1016/j.cma.2010.06.019
PG 12
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications; Mechanics
SC Engineering; Mathematics; Mechanics
GA 696HG
UT WOS:000285431900022
ER
PT J
AU Scovazzi, G
Shadid, JN
Love, E
Rider, WJ
AF Scovazzi, G.
Shadid, J. N.
Love, E.
Rider, W. J.
TI A conservative nodal variational multiscale method for Lagrangian shock
hydrodynamics
SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
LA English
DT Article
DE Lagrangian shock hydrodynamics; Stabilized methods; Variational
multiscale analysis; Updated Lagrangian formulation; Hourglass control;
Nodal finite element method
ID COMPUTATIONAL FLUID-DYNAMICS; FINITE-ELEMENT FORMULATION;
ADVECTIVE-DIFFUSIVE SYSTEMS; ARTIFICIAL VISCOSITY; COMPRESSIBLE FLOWS;
SUPG FORMULATION; INCOMPRESSIBLE FLOWS; GALILEAN INVARIANCE; STABILIZED
METHODS; EULER EQUATIONS
AB A new method based on a continuous, piece-wise linear approximation of the equations for Lagrangian shock hydrodynamics is presented. Numerical instabilities are controlled by a stabilizing operator derived using the paradigm of the variational multiscale analysis. Encouraging numerical comparisons with existing methods in the case of quadrilateral and hexahedral elements indicate that the proposed method is capable of preventing hourglass patterns in the solution, while maintaining accuracy in regions of smooth flow. The proposed approach satisfies Galilean invariance properties and hinges upon the interpretation of the Lagrangian shock hydrodynamics equations as a system of nonlinear wave equations. A specific implementation in terms of a predictor/multi-corrector version of the mid-point time integrator guarantees global conservation of mass, momentum, and total energy for each iterate. Stability and formal order of accuracy are investigated applying the von Neumann analysis to the linearized shock hydrodynamics equations in one dimension. This approach yields tight bounds for stable time-step estimation, formal second-order accuracy of the method in time and space, and valuable indications on the choice of the most appropriate values for the stabilization parameters present in the formulation. (C) 2010 Elsevier BM. All rights reserved.
C1 [Scovazzi, G.; Love, E.; Rider, W. J.] Sandia Natl Labs, Computat Shock & Multiphys Dept 1431, Albuquerque, NM 87185 USA.
[Shadid, J. N.] Sandia Natl Labs, Elect & Microsyst Modeling Dept 1437, Albuquerque, NM 87185 USA.
RP Scovazzi, G (reprint author), Sandia Natl Labs, Computat Shock & Multiphys Dept 1431, POB 5800,MS 1319, Albuquerque, NM 87185 USA.
EM gscovaz@sandia.gov
NR 67
TC 23
Z9 23
U1 0
U2 4
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0045-7825
J9 COMPUT METHOD APPL M
JI Comput. Meth. Appl. Mech. Eng.
PY 2010
VL 199
IS 49-52
BP 3059
EP 3100
DI 10.1016/j.cma.2010.03.027
PG 42
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications; Mechanics
SC Engineering; Mathematics; Mechanics
GA 701HN
UT WOS:000285809100001
ER
PT S
AU Sen, C
Alvarez, G
Moreo, A
Dagotto, E
AF Sen, Cengiz
Alvarez, Gonzalo
Moreo, Adriana
Dagotto, Elbio
BE Landau, DP
Lewis, SP
Schuttler, HB
TI Unbiased Monte Carlo Simulations of Realistic Models: Colossal
Magnetoresistive Manganites
SO COMPUTER SIMULATION STUDIES IN CONDENSED MATTER PHYSICS XX, CSP-2007:
PROCEEDINGS OF THE 20TH WORKSHOP
SE Physics Procedia
LA English
DT Proceedings Paper
CT 12th Workshop on Computer Simulation Studies in Condensed Matter Physics
XX
CY FEB 19-23, 2007
CL Athens, GA
DE colossal magnetoresistance; manganites; Monte Carlo; double-exchange
model
ID PHASE-SEPARATION; MANGANESE OXIDES; DOUBLE-EXCHANGE; SEMICONDUCTORS;
CONDUCTANCE; SCENARIO; FREEDOM; FIELDS
AB We investigate the one-orbital model for manganites with cooperative phonons and superexchange coupling J(AF) via large-scale Monte Carlo (MC) simulations. Results for two-orbitals are also briefly discussed. Focusing on an the realistic electronic density n = 0.75, a regime of competition between ferromagnetic (FM) metallic and charge-ordered (CO) insulating states was identified in the finite temperature phase diagram. In the vicinity of the associated bicritical point, colossal magnetoresistance (CMR) effects were observed. The CMR magnitude is much larger than recently reported when randomly distributed polarons form the competing insulator. The appearance of CMR is associated with the development of short-distance correlations among polarons, above the spin ordering temperatures, resembling the charge arrangement of the low-temperature CO state. We present calculations of charge-charge correlations as well as typical Monte Carlo snapshots to support this view. (C) 2010 Published by Elsevier Ltd.
C1 [Sen, Cengiz] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA.
[Alvarez, Gonzalo] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Comp Sci & Math Div, POB 2008, Oak Ridge, TN 37831 USA.
[Moreo, Adriana; Dagotto, Elbio] Oak Ridge Natl Lab, Condensed Matter Sci Div, POB 2008, Oak Ridge, TN 37831 USA.
[Moreo, Adriana; Dagotto, Elbio] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
RP Sen, C (reprint author), Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA.
FU NSF [DMR-0443144]; LDRD program at ORNL; Division of Scientific User
Facilities, Basic Energy Sciences, DOE; Oak Ridge National Laboratory
[DE-AC05-00OR22725]
FX We acknowledge support via the NSF grant DMR-0443144 and the LDRD
program at ORNL. This research used resources of the National Center for
Computational Sciences. GA is sponsored by the Division of Scientific
User Facilities, Basic Energy Sciences, DOE, under contract
DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed by
UT-Battelle.
NR 39
TC 2
Z9 2
U1 1
U2 6
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1875-3892
J9 PHYSCS PROC
PY 2010
VL 7
BP 39
EP 51
DI 10.1016/j.phpro.2010.09.043
PG 13
WC Physics, Applied; Physics, Condensed Matter
SC Physics
GA BTJ65
UT WOS:000287103100007
ER
PT J
AU Subramani, K
Madduri, K
AF Subramani, K.
Madduri, Kamesh
TI Two-level heaps: a new priority queue structure with applications to the
single source shortest path problem
SO COMPUTING
LA English
DT Article
DE Single source shortest path; Dijkstra's algorithm; Priority queues;
Two-level heaps; Edge relaxation
ID ALGORITHMS; TIME; GRAPHS
AB The single source shortest paths problem with positive edge weights (SSSPP) is one of the more widely studied problems in operations research and theoretical computer science, on account of its wide applicability to practical situations. This problem was first solved in polynomial time by Dijkstra, who showed that by extracting vertices with the smallest distance from the source and relaxing its outgoing edges, the shortest path to each vertex is obtained. Variations of this general theme have led to a number of algorithms which work well in practice. At the heart of a Dijkstra implementation is the technique used to implement a priority queue. It is well known that using Dijkstra's approach requires Omega (n log n)steps on a graph having n vertices, since it essentially sorts vertices based on their distances from the source. Accordingly, the fastest implementation of Dijkstra's algorithm on a graph with it vertices and in edges should take Omega (m + n . log n) time, and consequently, the Dijkstra procedure for SSSPP using Fibonacci Heaps is optimal in the comparison-based model. In this paper, we introduce a new data structure to implement priority queues called two-level heap (TLH) and a new variant of Dijkstra's algorithm called Phased Dijkstra. We contrast the performance of Dijkstra's algorithm (both the simple and the phased variants) using a number of data structures to implement the priority queue and empirically establish that TLH are far superior to Fibonacci heaps on every graph family considered. It is to be noted that our profiling includes both sparse and dense graphs.
C1 [Subramani, K.] W Virginia Univ, Morgantown, WV 26506 USA.
[Madduri, Kamesh] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA.
RP Subramani, K (reprint author), W Virginia Univ, 749 Engn Sci Bldg, Morgantown, WV 26506 USA.
EM ksmani@csee.wvu.edu; kmadduri@lbl.gov
FU Air-Force Office of Scientific Research [FA9550-06-1-0050]; National
Science Foundation [CCF-0827397]; DOE Office of Advanced Scientific
Computing Research [DE-AC02-05CH11231]; United States Department of
Energy [DE-AC04-94AL85000]
FX This research was supported in pan by a research grant from the
Air-Force Office of Scientific Research under contract FA9550-06-1-0050,
by the National Science Foundation through Award CCF-0827397, and by the
DOE Office of Advanced Scientific Computing Research under contract
number DE-AC02-05CH11231.; The research of the first author was
conducted in part at the Discrete Algorithms and Mathematics Department,
Sandia National Laboratories, Albuquerque, New Mexico. Sandia is a
multipurpose laboratory operated by Sandia Corporation, a
Lockheed-Martin Company, for the United States Department of Energy
under contract DE-AC04-94AL85000. The first author is indebted to
Matthew Williamson for his feedback on an earlier draft and his help
with the figures in this paper.
NR 26
TC 0
Z9 1
U1 3
U2 4
PU SPRINGER WIEN
PI WIEN
PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA
SN 0010-485X
J9 COMPUTING
JI Computing
PY 2010
VL 90
IS 3-4
BP 113
EP 130
DI 10.1007/s00607-010-0112-1
PG 18
WC Computer Science, Theory & Methods
SC Computer Science
GA 680NE
UT WOS:000284239600002
ER
PT J
AU Kurzak, J
Ltaief, H
Dongarra, J
Badia, RM
AF Kurzak, Jakub
Ltaief, Hatem
Dongarra, Jack
Badia, Rosa M.
TI Scheduling dense linear algebra operations on multicore processors
SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE
LA English
DT Article
DE task graph; scheduling; multicore; linear algebra; factorization;
Cholesky; LU; QR; direct acyclic graph; dynamic scheduling; matrix
factorization
ID BROAD-BAND ENGINE; QR FACTORIZATION; PERFORMANCE; ALGORITHMS; RECURSION;
EQUATIONS; LEADS
AB State-of-the-art dense linear algebra software, such as the LAPACK and ScaLAPACK libraries, suffers performance losses on multicore processors due to their inability to fully exploit thread-level parallelism. At the same time, the coarse-grain dataflow model gains popularity as a paradigm for programming multicore architectures. This Work looks at implementing classic dense linear algebra workloads, the Cholesky factorization, the QR factorization and the LU factorization, using dynamic data-driven execution. Two emerging approaches to implementing coarse-grain dataflow are examined, the model of nested parallelism, represented by the Cilk framework, and the model of parallelism expressed through an arbitrary Direct Acyclic Graph, represented by the SMP Superscalar framework. Performance and coding effort are analyzed and compared against code manually parallelized at the thread level. Copyright (C) 2009 John Wiley & Sons, Ltd.
C1 [Kurzak, Jakub; Ltaief, Hatem; Dongarra, Jack] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
[Dongarra, Jack] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA.
[Dongarra, Jack] Univ Manchester, Sch Math, Manchester, Lancs, England.
[Dongarra, Jack] Univ Manchester, Sch Comp Sci, Manchester, Lancs, England.
[Badia, Rosa M.] Ctr Nacl Supercomputac, Barcelona, Spain.
[Badia, Rosa M.] Barcelona Supercomp Ctr, Barcelona, Spain.
RP Kurzak, J (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
EM kurzak@eecs.utk.edu
RI Dongarra, Jack/E-3987-2014; Badia, Rosa/L-1980-2014
OI Badia, Rosa/0000-0003-2941-5499
NR 43
TC 20
Z9 20
U1 0
U2 6
PU JOHN WILEY & SONS LTD
PI CHICHESTER
PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND
SN 1532-0626
J9 CONCURR COMP-PRACT E
JI Concurr. Comput.-Pract. Exp.
PD JAN
PY 2010
VL 22
IS 1
BP 15
EP 44
DI 10.1002/cpe.1467
PG 30
WC Computer Science, Software Engineering; Computer Science, Theory &
Methods
SC Computer Science
GA 541JA
UT WOS:000273409900002
ER
PT J
AU Wheeler, KB
Thain, D
AF Wheeler, Kyle B.
Thain, Douglas
TI Visualizing massively multithreaded applications with ThreadScope
SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE
LA English
DT Article
DE visualization; multithreading; structure
ID SYSTEM; GRAPH
AB As highly parallel multicore machines become commonplace, programs must exhibit more concurrency to exploit the available hardware. Many multithreaded programming models already encourage programmers to create hundreds or thousands of short-lived threads that interact in complex ways. Programmers need to be able to analyze, tune, and troubleshoot these large-scale multi-threaded programs. To address this problem, we present ThreadScope: a tool for tracing, visualizing, and analyzing massively multithreaded programs. ThreadScope extracts the machine-independent program structure from execution trace data from a variety of tracing tools and displays it as a graph of dependent execution blocks and memory objects, enabling identification of synchronization and structural problems, even if they did not occur in the traced run. It also uses graph-based analysis to identify potential problems. We demonstrate the use of ThreadScope to view program structure, memory access patterns, and synchronization problems in three programming environments and seven applications. Copyright (C) 2009 John Wiley & Sons, Ltd.
C1 [Wheeler, Kyle B.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Wheeler, Kyle B.; Thain, Douglas] Univ Notre Dame, Notre Dame, IN 46556 USA.
RP Wheeler, KB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM kyle-jwiley@memoryhole.net
FU Sandia National Laboratories [DE-AC04-94AL85000]
FX Contract/grant sponsor: Sandia National Laboratories contract/grant
number: DE-AC04-94AL85000
NR 37
TC 1
Z9 1
U1 0
U2 0
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 JAN
PY 2010
VL 22
IS 1
BP 45
EP 67
DI 10.1002/cpe.1469
PG 23
WC Computer Science, Software Engineering; Computer Science, Theory &
Methods
SC Computer Science
GA 541JA
UT WOS:000273409900003
ER
PT J
AU Kaman, T
Glimm, J
Sharp, DH
AF Kaman, T.
Glimm, J.
Sharp, D. H.
TI Initial conditions for turbulent mixing simulations
SO CONDENSED MATTER PHYSICS
LA English
DT Article
DE turbulent mixing layers; turbulent diffusion
ID FRONT TRACKING; MODEL
AB In the context of the classical Rayleigh-Taylor hydrodynamical instability, we examine the much debated question of models for initial conditions and the possible influence of unrecorded long wave length contributions to the instability growth rate alpha.
C1 [Kaman, T.; Glimm, J.] SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA.
[Glimm, J.] Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11793 USA.
[Sharp, D. H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Kaman, T (reprint author), SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA.
FU U.S. Department of Energy [DE-FC02-06-ER25770, DE-FG07-07ID14889,
DE-FC52-08NA28614, DE-AC07-05ID14517, DE-AC02-98CH10886]; Army Research
Organization [W911NF0910306]
FX It is a pleasure to thank D. Youngs for helpful comments and for sharing
unpublished experimental data. This research was supported in part by
the U.S. Department of Energy grants DE-FC02-06-ER25770,
DE-FG07-07ID14889, DE-FC52-08NA28614 and DE-AC07-05ID14517. This work is
supported by the Army Research Organization grant W911NF0910306. This
manuscript has been co-authored by Brookhaven Science Associates, LLC,
under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy.
The United States Government retains, and the publisher, by accepting
this 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. This work
has a Los Alamos Laboratory preprint number LA-UR 10-03424 and a Stony
Brook University preprint number SUNYSB-AMS-10-03.
NR 23
TC 3
Z9 3
U1 0
U2 5
PU INST CONDENSED MATTER PHYSICS NATL ACAD SCIENCES UKRAINE
PI LVIV
PA 1 SVIENTSITSKII STR, LVIV, 79011, UKRAINE
SN 1607-324X
J9 CONDENS MATTER PHYS
JI Condens. Matter Phys.
PY 2010
VL 13
IS 4
AR 43401
PG 7
WC Physics, Condensed Matter
SC Physics
GA 705QL
UT WOS:000286152900010
ER
PT J
AU Samulyak, RV
Bo, W
Li, X
Kirk, H
McDonald, K
AF Samulyak, R. V.
Bo, W.
Li, X.
Kirk, H.
McDonald, K.
TI Computational algorithms for multiphase magnetohydrodynamics and
applications to accelerator targets
SO CONDENSED MATTER PHYSICS
LA English
DT Article
DE MHD algorithm; multiphase flow; front tracking; mercury target
ID RICHTMYER-MESHKOV INSTABILITY; SELF-ORGANIZED FILAMENTS; EMBEDDED
BOUNDARY METHOD; LIQUID-METAL; FREE-SURFACE; MHD FLOWS; CAVITATION;
SIMULATION; TRACKING
AB An interface-tracking numerical algorithm for the simulation of magnetohydrodynamic multiphase / free surface flows in the low-magnetic-Reynolds-number approximation of (Samulyak R., Du J., Glimm J., Xu Z., J. Comp. Phys., 2007, 226, 1532) is described. The algorithm has been implemented in multi-physics code FronTier and used for the simulation of MHD processes in liquids and weakly ionized plasmas. In this paper, numerical simulations of a liquid mercury jet entering strong and nonuniform magnetic field and interacting with a powerful proton pulse have been performed and compared with experiments. Such a mercury jet is a prototype of the proposed Muon Collider / Neutrino Factory, a future particle accelerator. Simulations demonstrate the elliptic distortion of the mercury jet as it enters the magnetic solenoid at a small angle to the magnetic axis, jet-surface instabilities (filamentation) induced by the interaction with proton pulses, and the stabilizing effect of the magnetic field.
C1 [Samulyak, R. V.] SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA.
[Samulyak, R. V.; Bo, W.; Li, X.] Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA.
[Kirk, H.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
[McDonald, K.] Princeton Univ, Joseph Henry Labs, Princeton, NJ 08544 USA.
RP Samulyak, RV (reprint author), SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA.
FU U.S. Department of Energy [DE-AC02-98CH10886]; State of New York
FX This manuscript has been authored in part by Brookhaven Science
Associates, LLC, under Contract No. DE-AC02-98CH10886 with the U.S.
Department of Energy. The United States Government retains, and the
publisher, by accepting the article for publication, acknowledges, a
worldwide license to publish or reproduce the published form of this
manuscript, or allow others to do so, for the United States Government
purpose. This research utilized resources at the New York Center for
Computational Sciences at Stony Brook University/Brookhaven National
Laboratory which is supported by the U.S. Department of Energy under
Contract No. DE-AC02-98CH10886 and by the State of New York.
NR 30
TC 1
Z9 1
U1 0
U2 2
PU INST CONDENSED MATTER PHYSICS NATL ACAD SCIENCES UKRAINE
PI LVIV
PA 1 SVIENTSITSKII STR, LVIV, 79011, UKRAINE
SN 1607-324X
J9 CONDENS MATTER PHYS
JI Condens. Matter Phys.
PY 2010
VL 13
IS 4
AR 43402
PG 12
WC Physics, Condensed Matter
SC Physics
GA 705QL
UT WOS:000286152900011
ER
PT B
AU Baker, GA
AF Baker, George A., Jr.
BE Kusmartsev, F
TI CONCERNING THE EQUATION OF STATE FOR A PARTIALLY IONIZED SYSTEM
SO CONDENSED MATTER THEORIES, VOL 24
LA English
DT Proceedings Paper
CT 32nd International Workshop on Condensed Matter Theories
CY AUG 12-19, 2008
CL Loughborough Univ, Loughborough, ENGLAND
SP Inst Phys, Theory Condensed Matter Grp, ESF Network Arrays Quantum Dots & Josephson Junct
HO Loughborough Univ
DE equations of state; spherical cellular model; series expansions in the
charge
AB I will discuss the expansion of various thermodynamic quantities about the ideal gas in powers of the electric charge, and I will discuss some cellular models. The first type of cellular model is appropriate for hydrogen. The second type is for Z > 1. It has the independent; electron approximation within the atoms. These models are cross compared and minimal regions of validity are determined. The actual region of validity is expected to be larger. In the cellular models, the phase boundaries for liquid-gas transitions are found. For the second type of cellular modal, in the part, of the low-temperature, low-density region where there is not much expectation of validity of these methods, a non-thermodynamic region is found. l have devised a construction, similar in spirit to the Maxwell construction, to bridge this region so as to leave a thermodynamically valid equation of state. The non-thermodynamic region does not occur in hydrogen and it seems to be due to the inadequacy of the aforementioned approximation in that region.
C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA.
RP Baker, GA (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA.
EM gbj@lanl.gov
NR 8
TC 0
Z9 0
U1 0
U2 0
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE
BN 978-981-4289-14-6
PY 2010
BP 32
EP 42
DI 10.1142/9789814289153_0003
PG 11
WC Physics, Condensed Matter
SC Physics
GA BPB14
UT WOS:000278418300003
ER
PT J
AU Man, CS
Massoudi, M
AF Man, Chi-Sing
Massoudi, Mehrdad
TI On the thermodynamics of some generalized second-grade fluids
SO CONTINUUM MECHANICS AND THERMODYNAMICS
LA English
DT Article
DE Neoclassical thermomechanics; Non-Newtonian fluids; Frictional heating;
Existence of internal energy and entropy
ID COAL-WATER MIXTURES; FUNDAMENTAL PROPERTY; CLASSICAL-SOLUTIONS;
VARIABLE-VISCOSITY; PERFECT GAS; FLOW; STABILITY; COMPLEXITY-2;
EXISTENCE; EQUATIONS
AB The generalized second-grade fluids, which have been used for modeling the creep of ice and the flow of coal-water and coal-oil slurries, are among the simplest non-Newtonian fluid models that can describe shear-thinning/thickening and exhibit normal stress effects. In this article, we conduct thermodynamic analysis on a class of generalized second-grade fluids, one distinguishing feature of which is the existence of a constitutive function I broken vertical bar that describes frictional heating. We work within the framework of Serrin's original formulation of neoclassical thermodynamics, where internal energy and entropy functions, if they exist for a continuous body at all, are to be derived from the classical First Law and (quantitatively reformulated) Second Law of thermodynamics for cycles. For the class of generalized second-grade fluids in question, we show from the First Law that an internal energy density u exists, and we derive the equation of energy balance; from the Second Law, we demonstrate the existence of an entropy density s and derive the Clausius-Duhem inequality that it satisfies. We obtain explicit expressions for u, s and the frictional heating I broken vertical bar, and derive thermodynamic restrictions on the material functions of temperature mu, alpha (1), and alpha (2) that appear in the constitutive relation for the Cauchy stress. For the special case of second-grade fluids, our expressions for u and s agree with those which Dunn and Fosdick [6] derived under the theoretical framework of the rational thermodynamics of Coleman and Noll.
C1 [Man, Chi-Sing] Univ Kentucky, Dept Math, Lexington, KY 40506 USA.
[Massoudi, Mehrdad] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
RP Man, CS (reprint author), Univ Kentucky, Dept Math, Lexington, KY 40506 USA.
EM mclxyh@ms.uky.edu
RI Man, Chi-Sing/E-4794-2011
OI Man, Chi-Sing/0000-0001-9166-2832
FU Oak Ridge Institute for Science and Education
FX This research was supported in part by an appointment of Man to the U.S.
Department of Energy Faculty Research Participation Program at the
National Energy Technology Laboratory administered by the Oak Ridge
Institute for Science and Education.
NR 43
TC 7
Z9 7
U1 0
U2 6
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0935-1175
J9 CONTINUUM MECH THERM
JI Continuum Mech. Thermodyn.
PD JAN
PY 2010
VL 22
IS 1
BP 27
EP 46
DI 10.1007/s00161-009-0123-3
PG 20
WC Thermodynamics; Mechanics
SC Thermodynamics; Mechanics
GA 544NV
UT WOS:000273665800002
ER
PT J
AU Boyle, NM
Rochford, J
Pryce, MT
AF Boyle, Nicola M.
Rochford, Jonathan
Pryce, Mary T.
TI Thienyl-Appended porphyrins: Synthesis, photophysical and
electrochemical properties, and their applications
SO COORDINATION CHEMISTRY REVIEWS
LA English
DT Review
DE Porphyrin; Thienyl; Photophysical; Electrochemical; Oligothiophene
ID SUBSTITUTED CONJUGATED POLYENES; PHOTOINDUCED ELECTRON-TRANSFER;
ENERGY-TRANSFER PROPERTIES; FULLERENE LINKED TRIADS;
MESO-TETRATHIENYLPORPHYRINS; ACCEPTING MOIETIES; OPTICAL-PROPERTIES;
CYTOCHROME-C; POLYMERS; OLIGOTHIOPHENE
AB This review focuses on the synthesis, photophysical and electrochemical properties of thienyl porphyrins where processes such as electron transfer, energy transfer and electropolymerisation are discussed. The purpose of this review is to examine the influence of the thienyl ring, whether it be directly connected (via mesa and 0 positions) or indirectly connected (via a covalent linker or axial coordination) on the ground and excited state electronic properties of the porphyrin macrocycle. Additionally, the importance of the electronic properties of a bridging oligothiophene between the porphyrin and another centre in supramolecular systems is discussed. Also included are applications of thienyl porphyrins in such areas as catalysis, therapeutics, (opto)electronics and electron-transfer/light-harvesting systems. (C) 2009 Elsevier B.V. All rights reserved.
C1 [Boyle, Nicola M.; Pryce, Mary T.] Dublin City Univ, Sch Chem Sci, Dublin 9, Ireland.
[Rochford, Jonathan] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Pryce, MT (reprint author), Dublin City Univ, Sch Chem Sci, Dublin 9, Ireland.
EM mary.pryce@dcu.ie
NR 74
TC 39
Z9 40
U1 1
U2 36
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0010-8545
J9 COORDIN CHEM REV
JI Coord. Chem. Rev.
PD JAN
PY 2010
VL 254
IS 1-2
BP 77
EP 102
DI 10.1016/j.ccr.2009.09.001
PG 26
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 532WT
UT WOS:000272781800004
ER
PT S
AU Soltis, J
Krouse, DP
Hodges, S
Laycocki, NJ
Zavadil, KR
Virtanen, S
Schmutz, P
Ryan, MP
AF Soltis, J.
Krouse, D. P.
Hodges, S.
Laycocki, N. J.
Zavadil, K. R.
Virtanen, S.
Schmutz, P.
Ryan, M. P.
BE Hansen, DC
Missert, N
Inman, M
Garfias, LF
Lillard, RS
TI Automated Analysis of Electrochemical Current Noise from Potentiostatic
Conditioning of Passive Iron in Chloride-Containing Solutions
SO CORROSION (GENERAL) - 216TH ECS MEETING
SE ECS Transactions
LA English
DT Proceedings Paper
CT Symposium on Corrosion General Session held during the 216th Meeting of
the Electrochemical-Society (ECS)
CY OCT 04-09, 2009
CL Vienna, AUSTRIA
SP Electrochem Soc, Electrochem Soc, Corros Div
ID STAINLESS-STEEL; PITTING CORROSION; STOCHASTIC-MODELS; PIT INITIATION;
GROWTH; NUCLEATION; REPASSIVATION; FILMS
AB We have demonstrated the applicability of a recently developed automated methodology for processing of electrochemical current noise through the analysis of current records from potentiostatic conditioning of high purity iron thin films in pH 8.4 borate buffer solutions containing low levels of chloride, at potentials below those required for stable pitting. The analysis precisely identifies all anodic current transients and allows us to distinguish carefully between those within the background noise level and those outliers that are considered to indicate the onset of pitting corrosion. A strong potential dependence was observed for the measured characteristics of both the background current noise and the identified pitting events.
C1 [Soltis, J.; Hodges, S.; Laycocki, N. J.] Quest Integr NZL Ltd, Wellington, New Zealand.
[Krouse, D. P.] Ind Res Ltd, Wellington, New Zealand.
[Zavadil, K. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Virtanen, S.] Univ Erlangen Nurnberg, D-91058 Erlangen, Germany.
[Schmutz, P.] ETH Hoenggerberg, Swiss Fed Inst Technol, CH-8093 Zurich, Switzerland.
[Ryan, M. P.] Univ London Imperial Coll Sci Technol & Med, London SW7 2BP, England.
RP Soltis, J (reprint author), Quest Integr NZL Ltd, POB 38-096, Wellington, New Zealand.
RI Virtanen, Sannakaisa/N-3699-2015
OI Virtanen, Sannakaisa/0000-0002-7179-7593
NR 36
TC 1
Z9 1
U1 1
U2 2
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA
SN 1938-5862
BN 978-1-56677-811-4
J9 ECS TRANSACTIONS
PY 2010
VL 25
IS 37
BP 157
EP 176
DI 10.1149/1.3407555
PG 20
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA BC6TN
UT WOS:000354479500013
ER
PT S
AU Yamamoto, Y
Kiggans, JO
Clark, MB
Nunn, SD
Sabau, AS
Peter, WH
AF Yamamoto, Yukinori
Kiggans, Jim O.
Clark, Michael B.
Nunn, Stephen D.
Sabau, Adrian S.
Peter, William H.
BE Imam, MA
Froes, FH
Dring, KF
TI Consolidation Process in Near Net Shape Manufacturing of Armstrong
CP-Ti/Ti-6Al-4V Powders
SO COST-AFFORDABLE TITANIUM III
SE Key Engineering Materials
LA English
DT Proceedings Paper
CT Symposium on Cost Affordable Titanium III held at the 2010 TMS Annual
Meeting
CY FEB 14-18, 2010
CL Seattle, WA
SP Minerals, Met & Mat Soc
DE Near net shape; Press and sinter; CP-Ti; Ti-6Al-4V; Armstrong process
ID LOW-COST TITANIUM
AB This paper summarizes our recent efforts to develop the manufacturing technologies of consolidated net-shape components by using new low-cost commercially pure titanium (CP-Ti) and Ti-6Al-4V alloy powders made by the Armstrong process. Fabrication processes of net shape/ near net shape components, such as uniaxial die-pressing, cold isostatic pressing (CIP), sintering, roll compaction and stamping, have been evaluated. The press-and-sinter processing of the powders were systematically investigated in terms of theoretical density and microstructure as a function of time, pressure, and temperature. Up to 96.4% theoretical density has been achieved with the press-and-sinter technology. Tensile properties of the consolidated samples exhibit good ductility as well as equivalent yield/ultimate tensile strengths to those of fully consolidate materials, even with the presence of a certain amount of porosity. A consolidation model is also under development to interpret the powder deformation during processing. Net shape components made of the Armstrong powder can successfully be fabricated with clearer surface details by using press-and-sinter processing.
C1 [Yamamoto, Yukinori; Kiggans, Jim O.; Clark, Michael B.; Nunn, Stephen D.; Sabau, Adrian S.; Peter, William H.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Yamamoto, Y (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM yamamotoy@ornl.gov; kiggansjojr@ornl.gov; clarkmb@ornl.gov;
nunnsd@ornl.gov; sabaua@ornl.gov; peterwh@ornl.gov
RI kiggans, james/E-1588-2017;
OI kiggans, james/0000-0001-5056-665X; Sabau, Adrian/0000-0003-3088-6474
NR 15
TC 12
Z9 12
U1 0
U2 6
PU TRANS TECH PUBLICATIONS LTD
PI STAFA-ZURICH
PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND
SN 1013-9826
J9 KEY ENG MAT
PY 2010
VL 436
BP 103
EP 111
DI 10.4028/www.scientific.net/KEM.436.103
PG 9
WC Materials Science, Multidisciplinary
SC Materials Science
GA BPZ22
UT WOS:000280416600011
ER
PT S
AU Chen, W
Yamamoto, Y
Peter, WH
AF Chen, Wei
Yamamoto, Yukinori
Peter, William H.
BE Imam, MA
Froes, FH
Dring, KF
TI Investigation of pressing and sintering processes of CP-Ti powder made
by Armstrong Process
SO COST-AFFORDABLE TITANIUM III
SE Key Engineering Materials
LA English
DT Proceedings Paper
CT Symposium on Cost Affordable Titanium III held at the 2010 TMS Annual
Meeting
CY FEB 14-18, 2010
CL Seattle, WA
SP Minerals, Met & Mat Soc (TMS)
DE In-situ; Press and sinter; CP-Ti; Armstrong process
AB This work used in-situ and ex-situ techniques to investigate the pressing and sintering processes of commercially pure (CP) Ti powder made by the Armstrong process. The objective is to simulate the actual manufacturing process of near net shape Ti components. Ti powders were uniaxially pre-pressed at designated pressures up to 100 ksi to form disk samples with different theoretical densities. Compression tests were performed in an SEM at different temperatures to obtain the mechanical properties and deformation behavior of these samples. Ex-situ technique was used to track the powder deformation process of disk samples from low pressure to high pressure. In-situ sintering was also performed in an SEM to record the morphology change of the porosities on the sample surface during the sintering process. The results will provide valuable information for optimizing the manufacturing process of high-density near net shape Ti components.
C1 [Chen, Wei] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA.
[Yamamoto, Yukinori; Peter, William H.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Chen, W (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA.
EM chenwe11@egr.msu.edu; yamamotoy@ornl.gov; peterwh@ornl.gov
RI Chen, Wei/C-1110-2011
FU U.S. Department of Energy; Office of Energy Efficiency and Renewable
Energy; Industrial Technologies Program [DE-AC05-00OR22725]; UT-Batelle,
LLC; Shared Research Equipment (SHaRE); Oak Ridge National Laboratory;
Division of Scientific User Facilities
FX Research sponsored by the U.S. Department of Energy, Office of Energy
Efficiency and Renewable Energy, Industrial Technologies Program, under
contract DE-AC05-00OR22725 with UT-Batelle, LLC. Part of the research
was conducted at the Shared Research Equipment (SHaRE) user facility,
which is sponsored at Oak Ridge National Laboratory by the Division of
Scientific User Facilities, U.S. Department of Energy.
NR 6
TC 7
Z9 7
U1 0
U2 0
PU TRANS TECH PUBLICATIONS LTD
PI DURNTEN-ZURICH
PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND
SN 1013-9826
J9 KEY ENG MATER
PY 2010
VL 436
BP 123
EP +
DI 10.4028/www.scientific.net/KEM.436.123
PG 2
WC Materials Science, Multidisciplinary
SC Materials Science
GA BPZ22
UT WOS:000280416600013
ER
PT S
AU Chen, YS
Huang, ZY
Wong, PC
Mackey, P
Allwardt, C
Ma, J
Greitzer, F
AF Chen, Yousu
Huang, Zhenyu
Wong, Pak-Chung
Mackey, Patrick
Allwardt, Craig
Ma, Jian
Greitzer, Frank
BE Moore, T
Shenoi, S
TI AN ADVANCED DECISION-SUPPORT TOOL FOR ELECTRICITY INFRASTRUCTURE
OPERATIONS
SO CRITICAL INFRASTRUCTURE PROTECTION IV
SE IFIP Advances in Information and Communication Technology
LA English
DT Proceedings Paper
CT 4th Annual IFIP Working Group 11 10 International Conference on Critical
Infrastructure Protection
CY MAR 15-17, 2010
CL Natl Defense Univ, Washington, DC
HO Natl Defense Univ
DE Electricity infrastructure; decision support; visual analytics
AB A major failure in the electricity infrastructure would almost certainly lead to significant societal disruption and massive economic losses. The reliable operation of the electricity infrastructure is an extremely challenging task because human operators have to consider thousands of possible configurations in near real time to choose the best option. Nevertheless, the operation of the electricity infrastructure is largely based on operator experience with limited real-time decision support. This makes it difficult for operators to anticipate, recognize and respond to anomalies caused by human error, natural disasters or cyber attacks.
This paper proposes an advanced decision-support tool for electricity infrastructure operations. The tool converts large amounts of data into actionable information to help operators monitor the power grid status in real time. It performs trend analysis at the regional or system level to enable operators to foresee and discern emergencies; it performs cluster analysis to help operators identify the relationships between system configurations and affected assets; and it interactively assesses candidate actions to assist operators in making effective and timely decisions.
C1 [Chen, Yousu; Huang, Zhenyu; Wong, Pak-Chung; Mackey, Patrick; Allwardt, Craig; Ma, Jian; Greitzer, Frank] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Chen, YS (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
NR 8
TC 4
Z9 4
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 1868-4238
BN 978-3-642-16805-5
J9 IFIP ADV INF COMM TE
PY 2010
VL 342
BP 245
EP 260
PG 16
WC Computer Science, Information Systems; Computer Science, Software
Engineering; Engineering, Electrical & Electronic; Telecommunications
SC Computer Science; Engineering; Telecommunications
GA BZV90
UT WOS:000303102400017
ER
PT J
AU Zeytun, A
Chaudhary, A
Pardington, P
Cary, RB
Gupta, G
AF Zeytun, Ahmet
Chaudhary, Anu
Pardington, Paige
Cary, R. Bruce
Gupta, Goutam
TI Induction of Cytokines and Chemokines by Toll-like Receptor Signaling:
Strategies for Control of Inflammation
SO CRITICAL REVIEWS IN IMMUNOLOGY
LA English
DT Article
DE TLR pathways; inflammation; cytokines; chemokines; control mechanisms
ID NF-KAPPA-B; DOMAIN-CONTAINING ADAPTERS; INNATE-IMMUNE-SYSTEM; SURFACTANT
PROTEIN-A; DENDRITIC CELLS; ANTIINFLAMMATORY RESPONSE; TRANSDUCTION
PATHWAYS; AUTOIMMUNE-DISEASES; NEGATIVE REGULATION; IRAK-4 INHIBITORS
AB Recognition of the pathogen-associated molecular pattern (PAMP) by host Toll-like receptors (TLR) is an important component of the innate immune response for countering against invading viruses, bacteria, and fungi. Upon PAMP recognition, the TLR induces intracellular signaling cascades that involve adapter, signalosome, and transcription factor complexes and result in the production of both pro- and anti-inflammatory cytokines and chemokines. An inflammatory response for a short duration can be beneficial because it helps to clear the infectious agent. However, prolonged inflammation can be detrimental because it may cause host toxicity and tissue damage. Indeed, excessive production of inflammatory cytokines and chemokines via TLR pathways is often associated with many inflammatory and autoimmune diseases. Therefore, fine control of inflammation in the TLR pathway is highly desirable for effective host defense. In this article, we review intrinsic control mechanisms that include a balance between pro-inflammatory and anti-inflammatory cytokines and chemokines, production of host effectors, and regulation at the level of adapter, signalosome, and transcription factor complexes in the TLR pathways. We also discuss how understanding of the TLR signaling steps leads to the development of small-molecule drugs that can interfere with the formation of active adapter, signalosome, and adapter complexes.
C1 [Zeytun, Ahmet; Chaudhary, Anu; Pardington, Paige; Gupta, Goutam] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA.
[Cary, R. Bruce] Mesa Tech Int Inc, Santa Fe, NM USA.
RP Gupta, G (reprint author), Los Alamos Natl Lab, Biosci Div, B-7,Mail Stop M888, Los Alamos, NM 87545 USA.
EM gxg@lanl.gov
FU DOE-LDRD; DTRA [B0844971]; NIAID/NIH [U54 AI057156]
FX G.G., A.C., and A.Z. thank Byron Goldstein under whose DOE-LDRD grant
this work was initiated. A.Z. thanks Ruy Ribeiro for his help and
support. A.C. acknowledges the financial support from the DTRA grant
1ACRO#B0844971. R.B.C. and P..P were supported by grant number U54
AI057156 from NIAID/NIH.
NR 117
TC 37
Z9 41
U1 0
U2 8
PU BEGELL HOUSE INC
PI REDDING
PA 50 CROSS HIGHWAY, REDDING, CT 06896 USA
SN 1040-8401
J9 CRIT REV IMMUNOL
JI Crit. Rev. Immunol.
PY 2010
VL 30
IS 1
BP 53
EP 67
PG 15
WC Immunology
SC Immunology
GA 590AS
UT WOS:000277196100004
PM 20370620
ER
PT J
AU Rong, L
Perelson, AS
AF Rong, Libin
Perelson, Alan S.
TI Treatment of Hepatitis C Virus Infection With Interferon and Small
Molecule Direct Antivirals: Viral Kinetics and Modeling
SO CRITICAL REVIEWS IN IMMUNOLOGY
LA English
DT Article
DE virus dynamics; interferon; ribavirin; small molecule inhibitors; drug
resistance; combination therapy
ID DYNAMICS IN-VIVO; NONNUCLEOSIDE POLYMERASE INHIBITOR; SERINE-PROTEASE
INHIBITORS; TREATMENT-NAIVE PATIENTS; ALPHA-2A PLUS RIBAVIRIN; PEGYLATED
INTERFERON-ALPHA-2B; PEGINTERFERON ALPHA-2A; B-VIRUS; RESISTANCE
MUTATIONS; CHRONIC HCV
AB Hepatitis C virus (HCV) infection remains a threat to global public health. Treatment with pegylated interferon (IFN) plus ribavirin leads to a sustained virologic response in about 50% of patients. New therapies using direct antiviral agents have the potential to cure patients unresponsive to IFN-based therapies. Mathematical modeling has played an important role in studying HCV kinetics. Using models, one can evaluate the effectiveness of new treatment agents, estimate important parameters that govern virus-host interactions, explore possible mechanisms of drug action against HCV, investigate the development of drug resistance, and study quasispecies dynamics during therapy. Here we review our current knowledge of HCV kinetics under IFN-based therapy and newly developed antiviral agents specifically targeted to attack HCV, and show how mathematical models have helped to improve our understanding of HCV infection and treatment.
C1 [Rong, Libin; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Perelson, AS (reprint author), Los Alamos Natl Lab, Mail Stop K710, Los Alamos, NM 87545 USA.
EM asp@lanl.gov
FU U.S. Department of Energy [DE-AC52-06NA25396]; NIH [RR06555-18,
AI28433-19, AI065256]
FX Portions of this work were performed under the auspices of the U.S.
Department of Energy under contract DE-AC52-06NA25396. This work was
supported by NIH grants RR06555-18, AI28433-19, and AI065256.
NR 121
TC 29
Z9 29
U1 0
U2 0
PU BEGELL HOUSE INC
PI REDDING
PA 50 CROSS HIGHWAY, REDDING, CT 06896 USA
SN 1040-8401
J9 CRIT REV IMMUNOL
JI Crit. Rev. Immunol.
PY 2010
VL 30
IS 2
BP 131
EP 148
PG 18
WC Immunology
SC Immunology
GA 590AZ
UT WOS:000277197000003
PM 20370626
ER
PT J
AU Dandekar, AM
Martinelli, F
Davis, CE
Bhushan, A
Zhao, WX
Fiehn, O
Skogerson, K
Wohlgemuth, G
D'Souza, R
Roy, S
Reagan, RL
Lin, DW
Cary, RB
Pardington, P
Gupta, G
AF Dandekar, Abhaya M.
Martinelli, Federico
Davis, Cristina E.
Bhushan, Abhinav
Zhao, Weixiang
Fiehn, Oliver
Skogerson, Kirsten
Wohlgemuth, Gert
D'Souza, Raissa
Roy, Soumen
Reagan, Russell L.
Lin, Dawei
Cary, R. Bruce
Pardington, Paige
Gupta, Goutam
TI Analysis of Early Host Responses for Asymptomatic Disease Detection and
Management of Specialty Crops
SO CRITICAL REVIEWS IN IMMUNOLOGY
LA English
DT Article
DE biological regulatory network; differential mobility spectrometry; gas
chromatography-coupled time-of-flight mass spectrometry; huanglongbing;
induced volatile organic compound; lateral flow microarray;
microbe-associated molecular pattern; specialty crops; Twister
ID CANDIDATUS LIBERIBACTER-ASIATICUS; DIFFERENTIAL MOBILITY SPECTROMETRY;
SAO-PAULO STATE; VOLATILE ORGANIC-COMPOUNDS; REAL-TIME PCR; INNATE
IMMUNITY; GENE-EXPRESSION; PATTERN-RECOGNITION; ARABIDOPSIS-THALIANA;
BOTRYTIS-CINEREA
AB The rapid and unabated spread of vector-borne diseases within US specialty crops threatens our agriculture, our economy, and the livelihood of growers and farm workers. Early detection of vector-borne pathogens is an essential step for the accurate surveillance and management of vector-borne diseases of specialty crops. Currently, we lack the tools that would detect the infectious agent at early (primary) stages of infection with a high degree of sensitivity and specificity. In this paper, we outline a strategy for developing an integrated suite of platform technologies to enable rapid, early disease detection and diagnosis of huanglong-bing (HLB), the most destructive citrus disease. The research has two anticipated outcomes: i) identification of very early, disease-specific biomarkers using a knowledge base of translational genomic information on host and pathogen responses associated with early (asymptomatic) disease development; and ii) development and deployment of novel sensors that capture these and other related biomarkers and aid in presymptomatic disease detection. By combining these two distinct approaches, it should be possible to identify and defend the crop by interdicting pathogen spread prior to the rapid expansion phase of the disease. We believe that similar strategies can also be developed for the surveillance and management of diseases affecting other economically important specialty crops.
C1 [Pardington, Paige; Gupta, Goutam] LANL, Biosci Div, Los Alamos, NM USA.
[Cary, R. Bruce] Mesa Tech Int Inc, Santa Fe, NM USA.
RP Dandekar, AM (reprint author), Univ Calif Davis, Dept Plant Sci, MS2,1 Shields Ave, Davis, CA 95616 USA.
EM amdandekar@ucdavis.edu
RI Roy, Soumen/A-9558-2012; Davis, Cristina/C-4437-2008; Martinelli,
Federico/F-7697-2013
OI Roy, Soumen/0000-0002-0417-5751;
FU California Citrus Research Board; UC Discovery the California
Industry-University Cooperative Research Program; Florida Citrus
Production Research Advisory Council
FX This work was partially supported by the following funding agencies: the
California Citrus Research Board (A.D., C.D., O.F., and B.C.); UC
Discovery the California Industry-University Cooperative Research
Program (A.D., C.D., and O.F.); Florida Citrus Production Research
Advisory Council (A.D., C.D., and O.F.). We wish to thank Ted Batkin and
Earl Rutz for their strong and committed support of this project. The
contents of this manuscript are solely the responsibility of the authors
and do not necessarily represent the official views of the funding
agencies.
NR 69
TC 13
Z9 13
U1 1
U2 25
PU BEGELL HOUSE INC
PI REDDING
PA 50 CROSS HIGHWAY, REDDING, CT 06896 USA
SN 1040-8401
J9 CRIT REV IMMUNOL
JI Crit. Rev. Immunol.
PY 2010
VL 30
IS 3
BP 277
EP 289
PG 13
WC Immunology
SC Immunology
GA 590BD
UT WOS:000277197400005
PM 20370635
ER
PT J
AU Smith, AM
Ribeiro, RM
AF Smith, Amber M.
Ribeiro, Ruy M.
TI Modeling the Viral Dynamics of Influenza A Virus Infection
SO CRITICAL REVIEWS IN IMMUNOLOGY
LA English
DT Article
DE mathematical model; acute infection; antiviral therapy
ID IMMUNE-RESPONSE; IN-VIVO; ANTIRETROVIRAL THERAPY; PANDEMIC INFLUENZA;
MATHEMATICAL-MODEL; HIV-1 INFECTION; UNITED-STATES; HUMAN-DISEASE; H5N1;
PATHOGENESIS
AB Influenza virus causes an acute, mostly self-limited, infection of the upper respiratory tract. Yearly epidemics of influenza infect up to 20% of the population, and in the US cause an average of 36,000 deaths every year. Because influenza is a short-term infection lasting 4 to 7 d in most cases, studying the dynamics of the virus and the immune response in vivo is difficult. Here we review the most recent attempts at mathematical modeling of influenza dynamics within the host to better understand the kinetics of the virus and associated immune responses. These models have been developed based on very successful kinetic studies of chronic infections, such as human immunodeficiency and hepatitis C viruses. We briefly review the approach taken for these infections before discussing the results obtained in the case of influenza. The dynamics of the latter have been studied both in vitro and in vivo. It was shown that the virus turnover is very fast, which helps to explain the accumulation of diversity. Moreover, initial attempts have been made at modeling the immune response to influenza, but these are still incipient and further studies, both experimental and theoretical, are needed to better elucidate the interplay of the virus and the immune response.
C1 [Smith, Amber M.; Ribeiro, Ruy M.] Los Alamos Natl Lab, Dept Theoret Biol & Biophys, Los Alamos, NM 87545 USA.
[Smith, Amber M.] Univ Utah, Dept Math, Salt Lake City, UT 84112 USA.
RP Ribeiro, RM (reprint author), Los Alamos Natl Lab, Dept Theoret Biol & Biophys, MS K710, Los Alamos, NM 87545 USA.
EM ruy@lanl.gov
FU James S. McDonnell Foundation; DOE/LANL [20070099DR]
FX This work was supported by a 21st Century Science Initiative Grant from
the James S. McDonnell Foundation (to A.M.S.) and by DOE/LANL under
grant 20070099DR (to R.M.R.).
NR 52
TC 26
Z9 26
U1 2
U2 13
PU BEGELL HOUSE INC
PI REDDING
PA 50 CROSS HIGHWAY, REDDING, CT 06896 USA
SN 1040-8401
J9 CRIT REV IMMUNOL
JI Crit. Rev. Immunol.
PY 2010
VL 30
IS 3
BP 291
EP 298
PG 8
WC Immunology
SC Immunology
GA 590BD
UT WOS:000277197400006
PM 20370636
ER
PT B
AU Unsal, M
AF Unsal, Mithat
BE Peloso, M
Vainshtein, A
TI Pandora's Box and Non-Selfdual Topological Excitations
SO CROSSING THE BOUNDARIES: GAUGE DYNAMICS AT STRONG COUPLING
LA English
DT Proceedings Paper
CT Workshop on Crossing the Boundaries - Gauge Dynamics at Strong Coupling
CY MAY 14-17, 2009
CL Univ Minnesota, William I Fine Theoret Phys Inst, Minneapolis, MN
HO Univ Minnesota, William I Fine Theoret Phys Inst
ID GAUGE-THEORIES; INSTANTONS; DIMENSIONS; MONOPOLES
AB In the last few years, we have realized the existence of a new class of topological excitations, which are rather distinct from the platonic world of monopoles, monopole-instantons and instantons. All of the latter arise as solutions of the Prasad-Sommerfield type first order differential (self-duality) equations and have been extensively discussed in the context of confinement and chiral symmetry breaking for the last 30 years. However, new calculable deformations of asymptotically free chiral and vector-like gauge theories give us a new picture of these physical phenomena. Most often, the excitations which lead to confinement are not solutions to PS-type equations, they are non-selfdual and they are often bizarre. They are referred to as magnetic bions, triplets, and quintets, due to their composite nature. Bizarre as they are, combined with large-N volume independence, these novel non-self-dual excitations may also provide hope that at least some non-abelian gauge theories may be solvable.
C1 Stanford Univ, SLAC, Stanford, CA 94025 USA.
RP Unsal, M (reprint author), Stanford Univ, SLAC, Stanford, CA 94025 USA.
EM unsal@slac.stanford.edu
NR 12
TC 0
Z9 0
U1 0
U2 0
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE
BN 978-981-4304-02-3
PY 2010
BP 96
EP 107
DI 10.1142/9789814304030_0007
PG 12
WC Physics, Mathematical
SC Physics
GA BQB29
UT WOS:000280552900007
ER
PT J
AU Mernild, SH
Liston, GE
Steffen, K
van den Broeke, M
Hasholt, B
AF Mernild, S. H.
Liston, G. E.
Steffen, K.
van den Broeke, M.
Hasholt, B.
TI Runoff and mass-balance simulations from the Greenland Ice Sheet at
Kangerlussuaq (Sondre Stromfjord) in a 30-year perspective, 1979-2008
SO CRYOSPHERE
LA English
DT Article
ID COMPLEX SNOW DISTRIBUTIONS; REGIONAL CLIMATE MODEL; WEST GREENLAND;
BLOWING-SNOW; SOUTHEAST GREENLAND; AMMASSALIK ISLAND; MELT EXTENT; AREA;
SUBLIMATION; SYSTEM
AB This study provides insights into surface mass-balance (SMB) and runoff exiting the Watson River drainage basin, Kangerlussuaq, West Greenland during a 30 year period (1978/1979-2007/2008) when the climate experienced increasing temperatures and precipitation. The 30-year simulations quantify the terrestrial freshwater output from part of the Greenland Ice Sheet (GrIS) and the land between the GrIS and the ocean, in the context of global warming and increasing GrIS surface melt. We used a snow-evolution modeling system (SnowModel) to simulate the winter accumulation and summer ablation processes, including runoff and SMB, of the ice sheet: indicating that the simulated equilibrium line altitude (ELA) was in accordance with independent observations. To a large extent, the SMB fluctuations could be explained by changes in net precipitation (precipitation minus evaporation and sublimation), with 8 out of 30 years having negative SMB, mainly because of relatively low annual net precipitation. The overall trend in net precipitation and runoff increased significantly, while SMB increased insignificantly throughout the simulation period, leading to enhanced precipitation of 0.59 km(3) w.eq. (or similar to 60%), runoff of 0.43 km(3) w.eq. (or similar to 55%), and SMB of 0.16 km(3) w.eq. (or similar to 85%). Runoff rose on average from 0.80 km(3) w.eq. in 1978/1979 to 1.23 km(3) w.eq. in 2007/2008. The GrIS satellite-derived melt-extent increased significantly, and the melting intensification occurred simultaneously with the increase in local Kangerlussuaq runoff, indicating that satellite data can be used as a proxy (r(2)=0.64) for runoff from the Kangerlussuaq drainage area.
C1 [Mernild, S. H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Los Alamos, NM 87545 USA.
[Liston, G. E.] Colorado State Univ, Cooperat Inst Res Atmosphere, Ft Collins, CO 80523 USA.
[Steffen, K.] Colorado State Univ, Cooperat Inst Res Environm Sci, Ft Collins, CO 80523 USA.
[van den Broeke, M.] Univ Utrecht, Inst Marine & Atmospher Res, Utrecht, Netherlands.
[Hasholt, B.] Univ Copenhagen, Dept Geog & Geol, Copenhagen, Denmark.
RP Mernild, SH (reprint author), Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Los Alamos, NM 87545 USA.
EM mernild@lanl.gov
RI Van den Broeke, Michiel/F-7867-2011; Steffen, Konrad/C-6027-2013
OI Van den Broeke, Michiel/0000-0003-4662-7565; Steffen,
Konrad/0000-0001-8658-1026
FU Los Alamos National Laboratory; Kommisionen for Videnskabelige
Undersogelser i Gronland (KVUG); National Nuclear Security
Administration of the US Department of Energy [DE-AC52-06NA25396]
FX We extend a very special thanks to all the reviewers for their
insightful critique of this article. Special thanks to the Institute for
Marine and Atmospheric Research, Utrecht University, for the use of
observed snow depth data and meteorological data from stations related
to the K-transect on the Greenland Ice Sheet; to the Cooperative
Institute for Research in Environmental Sciences, University of Colorado
at Boulder, for the use of satellite-derived data; and to the Department
of Geography and Geology, University of Copenhagen for use of observed
runoff data. Very special thanks to Matthew Hecht, Los Alamos National
Laboratory, for his insightful critique of this article. This work was
supported by grants from the Los Alamos National Laboratory and
Kommisionen for Videnskabelige Undersogelser i Gronland (KVUG). Los
Alamos National Laboratory is operated under the auspices of the
National Nuclear Security Administration of the US Department of Energy
under Contract No. DE-AC52-06NA25396.
NR 54
TC 15
Z9 16
U1 0
U2 12
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1994-0416
J9 CRYOSPHERE
JI Cryosphere
PY 2010
VL 4
IS 2
BP 231
EP 242
DI 10.5194/tc-4-231-2010
PG 12
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA 618XR
UT WOS:000279389900008
ER
PT J
AU Mernild, SH
Howat, IM
Ahn, Y
Liston, GE
Steffen, K
Jakobsen, BH
Hasholt, B
Fog, B
van As, D
AF Mernild, S. H.
Howat, I. M.
Ahn, Y.
Liston, G. E.
Steffen, K.
Jakobsen, B. H.
Hasholt, B.
Fog, B.
van As, D.
TI Freshwater flux to Sermilik Fjord, SE Greenland
SO CRYOSPHERE
LA English
DT Article
ID MITTIVAKKAT GLACIER CATCHMENT; MASS-BALANCE OBSERVATIONS; SOUTH EAST
GREENLAND; ICE-SHEET; AMMASSALIK ISLAND; SEDIMENT TRANSPORT; JAKOBSHAVN
ISBRAE; SNOW-DISTRIBUTION; WEST GREENLAND; RUNOFF
AB Terrestrial inputs of freshwater flux to Sermilik Fjord, SE Greenland, were estimated, indicating ice discharge to be the dominant source of freshwater. A freshwater flux of 40.4 +/- 4.9 x 10(9) m(3) y(-1) was found (1999-2008), with an 85% contribution originated from ice discharge (65% alone from Helheim Glacier), 11% from terrestrial surface runoff (from melt water and rain), 3% from precipitation at the fjord surface area, and 1% from subglacial geothermal and frictional melting due to basal ice motion. The results demonstrate the dominance of ice discharge as a primary mechanism for delivering freshwater to Sermilik Fjord. Time series of ice discharge for Helheim Glacier, Midgard Glacier, and Fenris Glacier were calculated from satellite-derived average surface velocity, glacier width, and estimated ice thickness, and fluctuations in terrestrial surface freshwater runoff were simulated based on observed meteorological data. These simulations were compared and bias corrected against independent glacier catchment runoff observations. Modeled runoff to Sermilik Fjord was variable, ranging from 2.9 +/- 0.4 x 10(9) m(3) y(-1) in 1999 to 5.9 +/- 0.9 x 10(9) m(3) y(-1) in 2005. The sub-catchment runoff of the Helheim Glacier region accounted for 25% of the total runoff to Sermilik Fjord. The runoff distribution from the different sub-catchments suggested a strong influence from the spatial variation in glacier coverage, indicating high runoff volumes, where glacier cover was present at low elevations.
C1 [Mernild, S. H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Computat Phys & Methods CCS 2, Los Alamos, NM 87545 USA.
[Howat, I. M.; Ahn, Y.] Ohio State Univ, Byrd Polar Res Ctr, Columbus, OH 43210 USA.
[Howat, I. M.; Ahn, Y.] Ohio State Univ, Sch Earth Sci, Columbus, OH 43210 USA.
[Liston, G. E.] Colorado State Univ, Cooperat Inst Res Atmosphere, Ft Collins, CO 80523 USA.
[Steffen, K.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA.
[Jakobsen, B. H.; Hasholt, B.; Fog, B.] Univ Copenhagen, Dept Geog & Geol, DK-1168 Copenhagen, Denmark.
RP Mernild, SH (reprint author), Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling Grp, Computat Phys & Methods CCS 2, Los Alamos, NM 87545 USA.
EM mernild@lanl.gov
RI Howat, Ian/A-3474-2008; Steffen, Konrad/C-6027-2013
OI Howat, Ian/0000-0002-8072-6260; Steffen, Konrad/0000-0001-8658-1026
FU US Department of Energy's Office of Science; National Nuclear Security
Administration of the US Department of Energy [DE-AC52-06NA25396]
FX Special thanks to the Danish Meteorological Institute, the Cooperative
Institute for Research in Environmental Sciences (CIRES), University of
Colorado at Boulder, the Department of Geography and Geology, University
of Copenhagen, and the Geological Survey of Denmark and Greenland (GEUS)
for use of observed meteorological data. Further, thanks to the
Department of Geography and Geology, University of Copenhagen, for use
of observed runoff data. Thanks are also given to Byrd Polar Research
Center, Ohio State University, for use of satellite-derived ice
discharge. This work was supported by grants from the Climate Change
Prediction 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 US Department of
Energy under Contract No. DE-AC52-06NA25396.
NR 63
TC 23
Z9 23
U1 1
U2 15
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1994-0416
J9 CRYOSPHERE
JI Cryosphere
PY 2010
VL 4
IS 4
BP 453
EP 465
DI 10.5194/tc-4-453-2010
PG 13
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA 698FK
UT WOS:000285578700003
ER
PT J
AU Zou, RQ
Abdel-Fattah, AI
Xu, HW
Zhao, YS
Hickmott, DD
AF Zou, Ruqiang
Abdel-Fattah, Amr I.
Xu, Hongwu
Zhao, Yusheng
Hickmott, Don D.
TI Storage and separation applications of nanoporous metal-organic
frameworks
SO CRYSTENGCOMM
LA English
DT Article
ID ZEOLITIC IMIDAZOLATE FRAMEWORKS; DRUG-DELIVERY SYSTEMS; MICROPOROUS
COORDINATION POLYMERS; SECONDARY BUILDING UNITS; HYDROGEN STORAGE;
SORPTION PROPERTIES; CARBON-DIOXIDE; SUPRAMOLECULAR ISOMERISM;
ADSORPTION SELECTIVITY; MESOPOROUS MATERIALS
AB This Highlight explores the progress and perspective in studies of metal-organic frameworks (MOFs), a new class of nanoporous materials, particularly suited for storage and separation applications related to energy utilization and environmental remediation. Since the discovery of the first MOF compound, hundreds of different MOFs have been developed and reported. MOFs are generally synthesized by self-assembly of metal ions/clusters as coordination centers and organic ligands as linkers. They possess intriguing chemical and physical properties and are structurally tunable, thermally stable and mechanically sound. MOFs are increasingly proving to be a superior class of materials for state-of-the-art applications in crystal engineering, chemistry, and materials science. In this Highlight, we present general routes for MOFs synthesis, discuss reticular design of their pore structures, and show some of their remarkable applications, especially in the areas of storage and separation.
C1 [Zou, Ruqiang; Abdel-Fattah, Amr I.; Xu, Hongwu; Hickmott, Don D.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
[Zou, Ruqiang; Zhao, Yusheng] Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA.
RP Zou, RQ (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
EM rzou@lanl.gov
RI Hickmott, Donald/C-2886-2011; Lujan Center, LANL/G-4896-2012; zou,
ruqiang/N-8803-2013;
OI Xu, Hongwu/0000-0002-0793-6923; Zou, Ruqiang/0000-0003-0456-4615
FU LDRD [20080780PRD2]
FX RZ sincerely thank LANL for Director's postdoctoral fellowship. This
work was financially supported by LANL Director's funded postdoc LDRD
project # 20080780PRD2. We specially acknowledge Prof. Bernard De Jong
for invaluable suggestions and comments.
NR 154
TC 104
Z9 104
U1 2
U2 68
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1466-8033
J9 CRYSTENGCOMM
JI Crystengcomm
PY 2010
VL 12
IS 5
BP 1337
EP 1353
DI 10.1039/b909643b
PG 17
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA 588RQ
UT WOS:000277091700001
ER
PT J
AU Billinge, SJL
Dykhne, T
Juhas, P
Bozin, E
Taylor, R
Florence, AJ
Shankland, K
AF Billinge, Simon J. L.
Dykhne, Timur
Juhas, Pavol
Bozin, Emil
Taylor, Ryan
Florence, Alastair J.
Shankland, Kenneth
TI Characterisation of amorphous and nanocrystalline molecular materials by
total scattering
SO CRYSTENGCOMM
LA English
DT Article
ID INDOMETHACIN; DIFFRACTION; SOLUBILITY; POLYMORPHS; NANOSCALE
AB The use of high-energy X-ray total scattering coupled with pair distribution function analysis produces unique structural fingerprints from amorphous and nanostructured phases of the pharmaceuticals carbamazepine and indomethacin. The advantages of such facility-based experiments over laboratory-based ones are discussed and the technique is illustrated with the characterisation of a melt-quenched sample of carbamazepine as a nanocrystalline (4.5 nm domain diameter) version of form III.
C1 [Billinge, Simon J. L.; Dykhne, Timur; Juhas, Pavol; Bozin, Emil] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
[Billinge, Simon J. L.; Bozin, Emil] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Taylor, Ryan; Florence, Alastair J.] Univ Strathclyde, Strathclyde Inst Pharm & Biomed Sci, Solid State Res Grp, Glasgow G4 ONR, Lanark, Scotland.
[Shankland, Kenneth] Univ Reading, Sch Pharm, Reading RG6 6AD, Berks, England.
RP Billinge, SJL (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
EM sb2896@columbia.edu
RI Bozin, Emil/E-4679-2011; Juhas, Pavol/A-6544-2008; Shankland,
Kenneth/H-5943-2013
OI Juhas, Pavol/0000-0001-8751-4458; Shankland, Kenneth/0000-0001-6566-0155
NR 15
TC 37
Z9 37
U1 5
U2 32
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1466-8033
J9 CRYSTENGCOMM
JI Crystengcomm
PY 2010
VL 12
IS 5
BP 1366
EP 1368
DI 10.1039/b915453a
PG 3
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA 588RQ
UT WOS:000277091700003
ER
PT J
AU Santulli, AC
Zhou, HJ
Berweger, S
Raschke, MB
Sutter, E
Wong, SS
AF Santulli, Alexander C.
Zhou, Hongjun
Berweger, Samuel
Raschke, Markus B.
Sutter, Eli
Wong, Stanislaus S.
TI Synthesis of single-crystalline one-dimensional LiNbO3 nanowires
SO CRYSTENGCOMM
LA English
DT Article
ID LITHIUM-NIOBATE; GROWTH; ROUTE; NANOSTRUCTURES; NANOPARTICLES;
NANOCRYSTALS; PROBE; OXIDE
AB We report a large-scale synthesis of single-crystalline LiNbO3 nanowires with diameters of 300-400 nm, containing only minor amounts of impurities, using a modified molten salt procedure. The isolated product is composed of rhombohedral-phase LiNbO3 nanowires with the c-axis oriented along its length. Raman investigations further confirm the purity and ferroelectric order of the nanowires and are consistent with electron microscopy data.
C1 [Santulli, Alexander C.; Zhou, Hongjun; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Berweger, Samuel; Raschke, Markus B.] Univ Washington, Dept Chem, Seattle, WA 98195 USA.
[Berweger, Samuel; Raschke, Markus B.] Univ Washington, Dept Phys, Seattle, WA 98195 USA.
[Sutter, Eli] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY USA.
RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
EM sswong@notes.cc.sunysb.edu
RI Zhou, Hongjun/A-1304-2011; Raschke, Markus/F-8023-2013
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-AC02-98CH10886, DE-SC0002197]
FX Research (including synthesis work and personnel support) carried out at
Brookhaven National Laboratory was funded by the U.S. Department of
Energy, Office of Basic Energy Sciences, under Contract No.
DE-AC02-98CH10886. Moreover, research carried out (in whole or in part,
such as transmission electron microscopy studies) at the Center for
Functional Nanomaterials, Brookhaven National Laboratory, is also
supported by the U.S. Department of Energy, Office of Basic Energy
Sciences, under Contract No. DE-AC02-98CH10886. SSW also acknowledges
the Alfred P. Sloan Foundation for support of the diffraction and SEM
work (including experimental supplies). MR specifically thanks the U.S.
Department of Energy, Office of Basic Energy Sciences for support of
Raman studies under contract number, DE-SC0002197.
NR 27
TC 24
Z9 24
U1 1
U2 31
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1466-8033
J9 CRYSTENGCOMM
JI Crystengcomm
PY 2010
VL 12
IS 10
BP 2675
EP 2678
DI 10.1039/c005318j
PG 4
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA 655CB
UT WOS:000282219100007
ER
PT J
AU Costa, JS
Castro, AG
Pievo, R
Roubeau, O
Modec, B
Kozlevcar, B
Teat, SJ
Gamez, P
Reedijk, J
AF Sanchez Costa, Jose
Castro, Adriana Gonzalez
Pievo, Roberta
Roubeau, Olivier
Modec, Barbara
Kozlevcar, Bojan
Teat, Simon J.
Gamez, Patrick
Reedijk, Jan
TI Proficiency of the electron-deficient 1,3,5-triazine ring to generate
anion-pi and lone pair-pi interactions
SO CRYSTENGCOMM
LA English
DT Article
ID COMPLEXES; PERCHLORATE; FRAMEWORKS; CHEMISTRY; LIGANDS
AB Two new 1,3,5-triazine-based ligands, namely 2-chloro-4,6-bis-N-[2-methylsulfanyl-N-(pyridin-2-ylmethyl)aniline]-1,3,5-triazine (cspat) and 2,4,6-tris-N-[N-2-(methylsulfanyl)-N-(pyridin-2-ylmethyl)ethanamine]-1,3,5-triazine (spet), have been purposely designed to favour anion-pi and/or lone pair-pi interactions in their coordination compounds. Three copper coordination compounds from these ligands, i.e. [Cu(cspat)Br(2)] (1), [Cu(cspat)(NO(3))(2)] (2) and [Cu(Hspet)(NO(3))(2)](NO(3))center dot 0.5H(2)O (3), have been obtained and their single-crystal X-ray structures have been determined. As expected, the solid-state structures of the three Cu(II) compounds are composed of supramolecular networks of anion-pi and/or lone pair-pi non-covalent bonds.
C1 [Sanchez Costa, Jose; Castro, Adriana Gonzalez; Pievo, Roberta; Gamez, Patrick; Reedijk, Jan] Leiden Univ, Leiden Inst Chem, Gorlaeus Labs, NL-2300 RA Leiden, Netherlands.
[Sanchez Costa, Jose] Univ Barcelona, Dept Quim Inorgan, Grp Interacc Magnet, E-08028 Barcelona, Spain.
[Roubeau, Olivier] Univ Bordeaux 1, CNRS, UPR 8641, Ctr Rech Paul Pascal, F-33600 Pessac, France.
[Roubeau, Olivier] Univ Zaragoza, Fac Ciencias, CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain.
[Modec, Barbara; Kozlevcar, Bojan] Univ Ljubljana, Fac Chem & Chem Technol, Ljubljana 1001, Slovenia.
[Teat, Simon J.] ALS, Berkeley Lab, Berkeley, CA USA.
RP Gamez, P (reprint author), Leiden Univ, Leiden Inst Chem, Gorlaeus Labs, POB 9502, NL-2300 RA Leiden, Netherlands.
EM p.gamez@chem.leidenuniv.nl
RI Reedijk, Jan/F-1992-2010; Gamez, Patrick/B-3610-2012; Roubeau,
Olivier/A-6839-2010; Sanchez Costa, Jose/N-9085-2014
OI Reedijk, Jan/0000-0002-6739-8514; Gamez, Patrick/0000-0003-2602-9525;
Roubeau, Olivier/0000-0003-2095-5843; Sanchez Costa,
Jose/0000-0001-5426-7956
FU NIOK; HRSMC; PTN; Spanish Ministerio de Ciencia [18-08-463B-750]; Office
of Science, Office of Basic Energy Sciences, of the US Department of
Energy [DE-AC02-05CH11231]; European Union; CNRS; University Bordeaux 1;
Conseil Regional d'Aquitaine
FX This work has been supported financially by the Graduate Research School
Combination "Catalysis'', a joint activity of the graduate research
schools NIOK, HRSMC, and PTN. The Spanish Ministerio de Ciencia through
the Juan de la Cierva Program number 18-08-463B-750 is also
acknowledged. The Advanced Light Source (SJT) 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. We
acknowledge the provision of time at the CCLRC Daresbury Laboratory via
support by the European Union, as well as support from the CNRS, the
University Bordeaux 1 and the Conseil Regional d'Aquitaine.
NR 39
TC 15
Z9 15
U1 1
U2 20
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1466-8033
J9 CRYSTENGCOMM
JI Crystengcomm
PY 2010
VL 12
IS 10
BP 3057
EP 3064
DI 10.1039/c004478d
PG 8
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA 655CB
UT WOS:000282219100063
ER
PT J
AU Motkuri, RK
Thallapally, PK
McGrail, BP
Ghorishi, SB
AF Motkuri, Radha Kishan
Thallapally, Praveen K.
McGrail, B. Peter
Ghorishi, S. Behrooz
TI Dehydrated Prussian blues for CO2 storage and separation applications
SO CRYSTENGCOMM
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; CARBON-DIOXIDE; HYDROGEN STORAGE; CAPTURE;
ADSORPTION; ANALOGS; TRANSFORMATION; STABILIZATION; COORDINATION;
NANOTUBES
AB Adsorption isotherms of pure gases present in flue and natural gas including CO2, N-2, CH4 and water were studied using Prussian blues of chemical formula M-3[Co(CN)(6)](2) (M = Cu, Ni, Mn). These materials adsorbed 8-12 wt% of CO2 at room temperature and 1 bar of pressure with heats of adsorption ranging from 6 to 16 kcal mol(-1).
C1 [Motkuri, Radha Kishan; Thallapally, Praveen K.; McGrail, B. Peter] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
[Ghorishi, S. Behrooz] Babcock & Wilcox Co, Barberton, OH 44203 USA.
RP Thallapally, PK (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
EM Praveen.Thallapally@pnl.gov
RI Motkuri, Radha/F-1041-2014; thallapally, praveen/I-5026-2014
OI Motkuri, Radha/0000-0002-2079-4798; thallapally,
praveen/0000-0001-7814-4467
FU Babcock and Wilcox Company; Department of Energy - Office of Fossil
Energy; U.S. Department of Energy [DE-AC05-76RL01830]
FX This work was supported by The Babcock and Wilcox Company and partially
supported by Department of Energy - Office of Fossil Energy. The Pacific
Northwest National Laboratory is operated by Battelle for the U.S.
Department of Energy under Contract DE-AC05-76RL01830.
NR 40
TC 21
Z9 21
U1 4
U2 28
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1466-8033
J9 CRYSTENGCOMM
JI Crystengcomm
PY 2010
VL 12
IS 12
BP 4003
EP 4006
DI 10.1039/c0ce00199f
PG 4
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA 680VV
UT WOS:000284266200002
ER
PT S
AU Greitzer, FL
AF Greitzer, Frank L.
BE Buford, JF
Jakobson, G
Erickson, J
Tolone, WJ
Ribarsky, W
TI Wide-area situation awareness in electric power grid
SO CYBER SECURITY, SITUATION MANAGEMENT, AND IMPACT ASSESSMENT II; AND
VISUAL ANALYTICS FOR HOMELAND DEFENSE AND SECURITY II
SE Proceedings of SPIE-The International Society for Optical Engineering
LA English
DT Proceedings Paper
CT Conference on Cyber Security, Situation Management, and Impact
Assessment II; and Visual Analytics for Homeland Defense and Security II
CY APR 05-09, 2010
CL Orlando, FL
SP SPIE
DE electric power grid; Smart Grid; situation awareness; wide-area
situation awareness; cyber security
AB Two primary elements of the US energy policy are demand management and efficiency and renewable sources. Major objectives are clean energy transmission and integration, reliable energy transmission, and grid cyber security. Development of the Smart Grid seeks to achieve these goals by lowering energy costs for consumers, achieving energy independence and reducing greenhouse gas emissions. The Smart Grid is expected to enable real time wide-area situation awareness (SA) for operators. Requirements for wide-area SA have been identified among interoperability standards proposed by the Federal Energy Regulatory Commission and the National Institute of Standards and Technology to ensure smart-grid functionality. Wide-area SA and enhanced decision support and visualization tools are key elements in the transformation to the Smart Grid. This paper discusses human factors research to promote SA in the electric power grid and the Smart Grid. Topics that will be discussed include the role of human factors in meeting US energy policy goals, the impact and challenges for Smart Grid development, and cyber security challenges.
C1 Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Greitzer, FL (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM frank.greitzer@pnl.gov
NR 28
TC 0
Z9 0
U1 3
U2 3
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-8173-3
J9 P SOC PHOTO-OPT INS
PY 2010
VL 7709
AR 77090F
DI 10.1117/12.855674
PG 11
WC Computer Science, Theory & Methods; Remote Sensing; Optics; Imaging
Science & Photographic Technology
SC Computer Science; Remote Sensing; Optics; Imaging Science & Photographic
Technology
GA BSS91
UT WOS:000285718800009
ER
PT S
AU Porter, R
Hush, D
Harvey, N
Theiler, J
AF Porter, Reid
Hush, Don
Harvey, Neal
Theiler, James
BE Buford, JF
Jakobson, G
Erickson, J
Tolone, WJ
Ribarsky, W
TI Toward Interactive Search in Remote Sensing Imagery
SO CYBER SECURITY, SITUATION MANAGEMENT, AND IMPACT ASSESSMENT II; AND
VISUAL ANALYTICS FOR HOMELAND DEFENSE AND SECURITY II
SE Proceedings of SPIE-The International Society for Optical Engineering
LA English
DT Proceedings Paper
CT Conference on Cyber Security, Situation Management, and Impact
Assessment II; and Visual Analytics for Homeland Defense and Security II
CY APR 05-09, 2010
CL Orlando, FL
SP SPIE
DE Rare category detection; interactive machine learning; anomaly
detection; change detection
AB To move from data to information in almost all science and defense applications requires a human-in-the-loop to validate information products, resolve inconsistencies, and account for incomplete and potentially deceptive sources of information. This is a key motivation for visual analytics which aims to develop techniques that complement and empower human users. By contrast, the vast majority of algorithms developed in machine learning aim to replace human users in data exploitation. In this paper we describe a recently introduced machine learning problem, called rare category detection, which may be a better match to visual analytic environments. We describe a new design criteria for this problem, and present comparisons to existing techniques with both synthetic and real-world datasets. We conclude by describing an application in broad-area search of remote sensing imagery.
C1 [Porter, Reid; Hush, Don; Harvey, Neal; Theiler, James] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Porter, R (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM rporter@lanl.gov
NR 14
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-8173-3
J9 P SOC PHOTO-OPT INS
PY 2010
VL 7709
AR 77090V
DI 10.1117/12.850787
PG 10
WC Computer Science, Theory & Methods; Remote Sensing; Optics; Imaging
Science & Photographic Technology
SC Computer Science; Remote Sensing; Optics; Imaging Science & Photographic
Technology
GA BSS91
UT WOS:000285718800022
ER
PT S
AU Sukumar, SR
Shankar, M
AF Sukumar, Sreenivas R.
Shankar, Mallikarjun
BE Buford, JF
Jakobson, G
Erickson, J
Tolone, WJ
Ribarsky, W
TI Value-of-Information based Middleware for Autonomic Querying of
Distributed Sensor Databases
SO CYBER SECURITY, SITUATION MANAGEMENT, AND IMPACT ASSESSMENT II; AND
VISUAL ANALYTICS FOR HOMELAND DEFENSE AND SECURITY II
SE Proceedings of SPIE-The International Society for Optical Engineering
LA English
DT Proceedings Paper
CT Conference on Cyber Security, Situation Management, and Impact
Assessment II; and Visual Analytics for Homeland Defense and Security II
CY APR 05-09, 2010
CL Orlando, FL
SP SPIE
DE sensor query systems; search and retrieval; distributed querying;
distributed data analysis
ID MATHEMATICAL-THEORY; COMMUNICATION
AB With particular focus on distributed situational awareness in defense and security applications, we propose a value-of-information based middleware framework as a paradigm shift from crawl-index based centralized search. The proposed approach seeks to improve efficiency in search and retrieval by transforming sensors into programmable information points and enabling ubiquitous data and software flows through the infrastructure of the distributed network. We explain the different components of such a middleware framework to organize, tag and notify emerging spatial, temporal and causal patterns from the sensor measurements. We conclude the paper with a brief discussion on the top-down programming model that can realize the framework as a reconfigurable sensor query system.
C1 [Sukumar, Sreenivas R.; Shankar, Mallikarjun] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
RP Sukumar, SR (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37830 USA.
EM ssrangan@ieee.org; shankarm@ornl.gov
RI Shankar, Mallikarjun/N-4400-2015
OI Shankar, Mallikarjun/0000-0001-5289-7460
NR 21
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-8173-3
J9 P SOC PHOTO-OPT INS
PY 2010
VL 7709
AR 77090P
DI 10.1117/12.851685
PG 8
WC Computer Science, Theory & Methods; Remote Sensing; Optics; Imaging
Science & Photographic Technology
SC Computer Science; Remote Sensing; Optics; Imaging Science & Photographic
Technology
GA BSS91
UT WOS:000285718800019
ER
PT J
AU Spidlen, J
Moore, W
Parks, D
Goldberg, M
Bray, C
Bierre, P
Gorombey, P
Hyun, B
Hubbard, M
Lange, S
Lefebvre, R
Leif, R
Novo, D
Ostruszka, L
Treister, A
Wood, J
Murphy, RE
Roederer, M
Sudar, D
Zigon, R
Brinkman, RR
AF Spidlen, Josef
Moore, Wayne
Parks, David
Goldberg, Michael
Bray, Chris
Bierre, Pierre
Gorombey, Peter
Hyun, Bill
Hubbard, Mark
Lange, Simon
Lefebvre, Ray
Leif, Robert
Novo, David
Ostruszka, Leo
Treister, Adam
Wood, James
Murphy, Robert E.
Roederer, Mario
Sudar, Damir
Zigon, Robert
Brinkman, Ryan R.
TI Data File Standard for Flow Cytometry, Version FCS 3.1
SO CYTOMETRY PART A
LA English
DT Article
DE flow cytometry; FCS; data standard; file format; bioinformatics
AB The flow cytometry data file standard provides the specifications needed to completely describe flow cytometry data sets within the confines of the file containing the experimental data. In 1984, the first Flow Cytometry Standard format for data files was adopted as FCS 1.0. This standard was modified in 1990 as FCS 2.0 and again ill 1997 as FCS 3.0. We report here on the next generation flow cytometry standard data file format. FCS 3.1 is a minor revision based oil suggested improvements from the community The unchanged goal of the standard is to provide a uniform file format that allows Files created by one type of acquisition hardware and software to be analyzed by any other type.
The FCS 3.1 standard retains the basic FCS file Structure and most features of previous versions of the standard. Changes included in FCS 3.1 address potential ambiguities in the previous versions and provide a more robust standard. The major changes include simplified support for international characters and improved support for storing compensation. The major additions are support for preferred display scale, a standardized way of capturing the sample volume, information about originality of the data file, and Support for plate and well identification in high throughput, plate based experiments. Please see the normative version of the FCS 3.1 specification ill Supporting Information for this manuscript (or at http://www.isac-net.org/ in the Current standards section) for a complete list of changes. (C) 2009 International Society for Advancement of Cytometry
C1 [Spidlen, Josef; Brinkman, Ryan R.] BC Canc Agcy, Terry Fox Lab, Vancouver, BC, Canada.
[Moore, Wayne] Stanford Univ, Dept Genet, Sch Med, Stanford, CA 94305 USA.
[Parks, David] Stanford Univ, Stanford Shared FACS Facil, Stanford, CA 94305 USA.
[Goldberg, Michael] Becton Dickinson & Co, San Jose, CA USA.
[Bray, Chris] Ver Software House, Topsham, ME USA.
[Bierre, Pierre] Cytek Dev, Fremont, CA USA.
[Gorombey, Peter] Soft Flow Informat, Debrecen, Hungary.
[Hyun, Bill] Univ Calif San Francisco, Lab Cell Anal, Helen Diller Family Comprehens Canc Ctr, San Francisco, CA 94143 USA.
[Hubbard, Mark] iCyt, Champaign, IL USA.
[Lange, Simon] Partec GmBH, Gorlitz, Germany.
[Lefebvre, Ray] Guava Technol, Hayward, CA USA.
[Leif, Robert] Newport Instruments, San Diego, CA USA.
[Novo, David] De Novo Software, Los Angeles, CA USA.
[Ostruszka, Leo] Accuri Cytometers, Ann Arbor, MI USA.
[Treister, Adam] Treestar Ltd, Ashland, OR USA.
[Wood, James] Wake Forest Univ, Bowman Gray Sch Med, Dept Canc Biol, Winston Salem, NC USA.
[Murphy, Robert E.] Carnegie Mellon Univ, Lane Ctr Computat Biol, Pittsburgh, PA 15213 USA.
[Roederer, Mario] NIH, Bethesda, MD 20892 USA.
[Sudar, Damir] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Zigon, Robert] Beckman Coulter, Indianapolis, IN USA.
RP Brinkman, RR (reprint author), British Columbia Canc Res Ctr, Terry Fox Lab, 675 W 10th Ave, Vancouver, BC V5Z 1L3, Canada.
EM rbrinkman@bccrc.ca
RI Brinkman, Ryan/B-1108-2008;
OI Brinkman, Ryan/0000-0002-9765-2990; Sudar, Damir/0000-0002-2510-7272
FU National Institutes of Health/National Institute of Biomedical Imaging
and Bioengineering [1R01EB005034]; Michael Smith Foundation for Health
Research; U.S. Department of Energy [DE-AC02-05CH11231]
FX Grant sponsor: National Institutes of Health/National Institute of
Biomedical Imaging and Bioengineering; Grant number: 1R01EB005034. This
work was also partially supported by Michael Smith Foundation for Health
Research and by the Director, Office of Science, Office of Biological
and Environmental Research of the U.S. Department of Energy under
contract No. DE-AC02-05CH11231.
NR 7
TC 15
Z9 15
U1 0
U2 3
PU WILEY-LISS
PI HOBOKEN
PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA
SN 1552-4922
J9 CYTOM PART A
JI Cytom. Part A
PD JAN
PY 2010
VL 77A
IS 1
BP 97
EP 100
DI 10.1002/cyto.a.20825
PG 4
WC Biochemical Research Methods; Cell Biology
SC Biochemistry & Molecular Biology; Cell Biology
GA 541BA
UT WOS:000273384700012
PM 19937951
ER
PT J
AU Kennedy, S
Teat, SJ
Dalgarno, SJ
AF Kennedy, Stuart
Teat, Simon J.
Dalgarno, Scott J.
TI Versatile assembly of p-carboxylatocalix[4]arene-O-alkyl ethers
SO DALTON TRANSACTIONS
LA English
DT Article
ID MIMICKING VIRAL GEOMETRY; CRYSTAL-STRUCTURES; CAPSULES; INCLUSION;
NANOTUBES; METAL; COMPLEX; SPHERES; ARRAYS; ARENE
AB Crystallisation of lower-rim tetra-O-alkylated p-carboxylatocalix[4]arenes from pyridine results in the formation of both bi-layer and pillar type supramolecular motifs. Full alkylation at the calixarene lower rim has significant influence over the supramolecular self-assembly motif, including preclusion of pyridine guest molecules from the calixarene cavity in the solid state.
C1 [Kennedy, Stuart; Dalgarno, Scott J.] Heriot Watt Univ, Sch Engn & Phys Sci Chem, Edinburgh EH14 4AS, Midlothian, Scotland.
[Teat, Simon J.] Berkeley Lab, Adv Light Source, Berkeley, CA USA.
RP Dalgarno, SJ (reprint author), Heriot Watt Univ, Sch Engn & Phys Sci Chem, Edinburgh EH14 4AS, Midlothian, Scotland.
EM S.J.Dalgarno@hw.ac.uk
RI Kennedy, Stuart/D-5248-2014; Dalgarno, Scott/A-7358-2010
OI Kennedy, Stuart/0000-0002-1769-8797; Dalgarno, Scott/0000-0001-7831-012X
FU EPSRC; US Department of Energy [DE-AC02-05CH11231]
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-AC02-05CH11231.
NR 45
TC 11
Z9 11
U1 1
U2 6
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 2
BP 384
EP 387
DI 10.1039/b914133b
PG 4
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 533RU
UT WOS:000272843100013
ER
PT J
AU Xiong, ZT
Chua, YS
Wu, GT
Wang, L
Wong, MW
Kam, ZM
Autrey, T
Kemmitt, T
Chen, P
AF Xiong, Zhitao
Chua, Yongshen
Wu, Guotao
Wang, Li
Wong, Ming Wah
Kam, Zhi Ming
Autrey, Tom
Kemmitt, Tim
Chen, Ping
TI Interaction of ammonia borane with Li2NH and Li3N
SO DALTON TRANSACTIONS
LA English
DT Article
ID HYDROGEN STORAGE; AMIDOBORANES; LITHIUM
AB Interaction of NH3BH3 and Li2NH (or Li3N) in THF leads to the formation of NH3 and LiNH2BH3, which further react with each other and produce ca. 10 wt.% hydrogen at 45 degrees C.
C1 [Xiong, Zhitao; Wu, Guotao; Chen, Ping] Dalian Inst Chem Phys, Dalian 116023, Peoples R China.
[Chua, Yongshen; Wang, Li; Wong, Ming Wah; Kam, Zhi Ming] Natl Univ Singapore, Dept Chem, Singapore 117543, Singapore.
[Autrey, Tom] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Kemmitt, Tim] Ind Res Ltd, Lower Hutt, New Zealand.
RP Chen, P (reprint author), Dalian Inst Chem Phys, Dalian 116023, Peoples R China.
EM pchen@dicp.ac.cn
RI Chua, Yong Shen/J-3551-2016;
OI Yang, Shuman/0000-0002-9638-0890; Chua, Yong Shen/0000-0002-9207-5776
FU Hundred Talents Project and Knowledge Innovation Program of CAS
[KGCX2-YW-806, KJCX2-YW-H21]; 863 Project [2009AA05Z108]; 973 Project
[2010CB631304]; NUS project [R-143-000-372-112]
FX The authors acknowledge financial support from the Hundred Talents
Project and Knowledge Innovation Program of CAS (KGCX2-YW-806 and
KJCX2-YW-H21), 863 Project (2009AA05Z108), 973 Project (2010CB631304)
and NUS project (R-143-000-372-112). TA thanks the US DOE CHS CoE for
support. This work was performed as part of an IPHE collaboration. The
authors thank Drs. Mark Bowden (IRL, New Zealand), Herman Cho (PNNL,
USA) and Anan Wu (Xiamen University, China) for useful discussions.
NR 12
TC 14
Z9 14
U1 0
U2 20
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 3
BP 720
EP 722
DI 10.1039/b916994f
PG 3
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 535SY
UT WOS:000272992500009
PM 20066215
ER
PT J
AU Rauscher, JF
Cox, CA
Yi, TH
Beavers, CM
Klavins, P
Toberer, ES
Snyder, GJ
Kauzlarich, SM
AF Rauscher, Japheth F.
Cox, Catherine A.
Yi, Tanghong
Beavers, Christine M.
Klavins, Peter
Toberer, Eric S.
Snyder, G. Jeffrey
Kauzlarich, Susan M.
TI Synthesis, structure, magnetism, and high temperature thermoelectric
properties of Ge doped Yb14MnSb11
SO DALTON TRANSACTIONS
LA English
DT Article
ID METAL ZINTL COMPOUNDS; POWER-GENERATION; SINGLE-CRYSTALS; TRANSITION;
PHASE; SR; BA; MAGNETORESISTANCE; YB14MN1-XALXSB11; YB14ZNSB11
AB The Zintl phase Yb14MnSb11 was successfully doped with Ge utilizing a tin flux technique. The stoichiometry was determined by microprobe analysis to be Yb13.99(14)Mn1.05(5)Sb10.89(16)Ge0.06(3). This was the maximum amount of Ge that could be incorporated into the structure via flux synthesis regardless of the amount included in the reaction. Single crystal X-ray diffraction could not unambiguously determine the site occupancy for Ge. Bond lengths varied by about 1% or less, compared with the undoped structure, suggesting that the small amount of Ge dopant does not significantly perturb the structure. Differential scanning calorimetry/thermogravimetry (DSC/TG) show that the doped compound's melting point is greater than 1200 K. The electrical resistivity and magnetism are virtually unchanged from the parent material, suggesting that Yb is present as Yb2+ and that the Ge dopant has little effect on the magnetic structure. At 900 K the resistivity and Seebeck coefficient decrease resulting in a zT of 0.45 at 1100 K, significantly lower than the undoped compound.
C1 [Rauscher, Japheth F.; Cox, Catherine A.; Yi, Tanghong; Kauzlarich, Susan M.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA.
[Beavers, Christine M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Klavins, Peter] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA.
[Toberer, Eric S.; Snyder, G. Jeffrey] CALTECH, Pasadena, CA 91125 USA.
RP Kauzlarich, SM (reprint author), Univ Calif Davis, Dept Chem, 1 Shields Ave, Davis, CA 95616 USA.
RI Beavers, Christine/C-3539-2009; Yi, Tanghong/F-1866-2011; Snyder, G.
Jeffrey/E-4453-2011; Snyder, G/I-2263-2015
OI Beavers, Christine/0000-0001-8653-5513; Snyder, G.
Jeffrey/0000-0003-1414-8682;
FU NSF [DMR-0600742]; Beckman Foundation at Caltech
FX We thank Marilyn Olmstead for assistance with crystallography and Sarah
Roeske for assistance with microprobe analysis. Portions of this work
were carried out at the Jet Propulsion Laboratory, California Institute
of Technology, under contract with NASA. This research was funded by NSF
DMR-0600742 and the Beckman Foundation at Caltech.
NR 49
TC 23
Z9 23
U1 4
U2 29
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 4
BP 1055
EP 1062
DI 10.1039/b920250a
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 542TK
UT WOS:000273518400011
PM 20066191
ER
PT J
AU Wang, P
Ahmadpour, F
Kolodiazhnyi, T
Kracher, A
Cranswick, LMD
Mozharivskyj, Y
AF Wang, Peng
Ahmadpour, Faraz
Kolodiazhnyi, Taras
Kracher, Alfred
Cranswick, Lachlan M. D.
Mozharivskyj, Yurij
TI Composition, structure, bonding and thermoelectric properties of
"CuT2P3" and "CuT4P3", members of the T1-x(CuP3)(x) series with T being
Si and Ge
SO DALTON TRANSACTIONS
LA English
DT Article
AB Through electron microprobe analysis, X-ray and neutron diffraction, it has been established that "CuT2P3" and "CuT4P3" (T = Si, Ge) adopt the cubic or tetragonally distorted zinc blende structures in which two element mixtures are present on both atomic sites. One site contains the Cu/T mixture while the other site is occupied by T and P. The structure of "CuT2P3" and "CuT4P3" can be derived from that of silicon or germanium, in which the single Si or Ge site is broken into two independent sites by the preferential Cu and P substitution. The phases appear to be members of the extended series with a general formula of T1-x(CuP3)(x). The Cu-P ratio of 1 : 3 provides 4 e(-) per atom and optimizes the atomic interactions. Thermoelectric performance of "CuSi2P3", "CuGe2P3" and "CuGe4P3" was evaluated from low temperatures to 400 K through resistivity, Seebeck coefficient and thermal conductivity measurements. The Ge-containing phases show a metallic-type behaviour and "CuSi2P3" is semiconducting with a narrow band gap. The ZT values are bigger for the Ge-containing phases and reach values of 8.49 x 10(-3) for "CuGe2P3" and 1.09 x 10(-2) for "CuGe4P3" at room temperature.
C1 [Wang, Peng; Ahmadpour, Faraz; Mozharivskyj, Yurij] McMaster Univ, Dept Chem, Hamilton, ON L8S 4M1, Canada.
[Kolodiazhnyi, Taras] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050044, Japan.
[Kracher, Alfred] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
[Cranswick, Lachlan M. D.] NRC, Canadian Neutron Beam Ctr, Chalk River, ON K0J 1J0, Canada.
RP Mozharivskyj, Y (reprint author), McMaster Univ, Dept Chem, 1280 Main St W, Hamilton, ON L8S 4M1, Canada.
EM mozhar@mcmaster.ca
RI KOLODIAZHNYI, Taras/H-2860-2011;
OI Ahmadpour, Faraz/0000-0002-3861-1224; Kolodiazhnyi,
Taras/0000-0002-9630-9461
FU Natural Sciences and Engineering Research Council of Canada; ACS
Petroleum Research Fund
FX This work was supported by a Discovery Grant from the Natural Sciences
and Engineering Research Council of Canada and by a grant from the ACS
Petroleum Research Fund.
NR 27
TC 5
Z9 5
U1 1
U2 7
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 4
BP 1105
EP 1112
DI 10.1039/b914555a
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 542TK
UT WOS:000273518400018
PM 20066198
ER
PT J
AU Tang, JK
Nayak, S
Costa, JS
Robertazzi, A
Pievo, R
Mutikainen, I
Roubeau, O
Teat, SJ
Gamez, P
Reedijk, J
AF Tang, Jinkui
Nayak, Sanjit
Sanchez Costa, Jose
Robertazzi, Arturo
Pievo, Roberta
Mutikainen, Ilpo
Roubeau, Olivier
Teat, Simon J.
Gamez, Patrick
Reedijk, Jan
TI Manganese(III)-mediated cyclodimerization of a hydrazinyl derivative
generating an unprecedented 1,2,3,5,6-substituted leuco-verdazyl ring
SO DALTON TRANSACTIONS
LA English
DT Article
ID RADICALS; OXIDATION; COMPLEXES
AB The one-pot reaction of Mn(OAc)(3) with two equivalents of 6-(pyridine-2-ylhydrazonomethyl)phenol (Hphp) in methanol leads to a unique leuco-verdazyl-type ring. The remarkable cyclodimerization reaction is proposed to involve a number of one-electron oxidative steps mediated by Mn(3+) ions, as well as a very uncommon 1,2-radical aryl migration and a nucleophilic attack of the solvent, i.e. methanol.
C1 [Nayak, Sanjit; Pievo, Roberta; Gamez, Patrick; Reedijk, Jan] Leiden Univ, Gorlaeus Labs, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands.
[Tang, Jinkui] Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Rare Earth Resource Utilizat, Changchun 130022, Peoples R China.
[Sanchez Costa, Jose] Univ Barcelona, Dept Quim Inorgan, E-08028 Barcelona, Spain.
[Robertazzi, Arturo] Univ Cagliari, CNR, INFM, SLACS, I-09042 Monserrato, Italy.
[Robertazzi, Arturo] Univ Cagliari, Dipartimento Fis, I-09042 Monserrato, Italy.
[Mutikainen, Ilpo] Univ Helsinki, Dept Chem, Inorgan Chem Lab, FIN-00014 Helsinki, Finland.
[Roubeau, Olivier] CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain.
[Roubeau, Olivier] Univ Zaragoza, E-50009 Zaragoza, Spain.
[Teat, Simon J.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Gamez, P (reprint author), Leiden Univ, Gorlaeus Labs, Leiden Inst Chem, POB 9502, NL-2300 RA Leiden, Netherlands.
EM p.gamez@chem.leidenuniv.nl
RI Nayak, Sanjit/C-4591-2011; Roubeau, Olivier/A-6839-2010; Reedijk,
Jan/F-1992-2010; Gamez, Patrick/B-3610-2012; Tang, Jinkui/A-1830-2014;
Sanchez Costa, Jose/N-9085-2014
OI Nayak, Sanjit/0000-0002-0342-9860; Roubeau, Olivier/0000-0003-2095-5843;
Reedijk, Jan/0000-0002-6739-8514; Gamez, Patrick/0000-0003-2602-9525;
Tang, Jinkui/0000-0002-8600-7718; Sanchez Costa,
Jose/0000-0001-5426-7956
FU Graduate Research School Combination "Catalysis"; COST [D35/0011]; FP6
Network of Excellence "Magmanet" [515767]; Office of Science, Office of
Basic Energy Sciences, of the US Department of Energy
[DE-AC02-05CH11231]; Changchun Institute of Applied Chemistry; National
Natural Science Foundation of China [20871113, 20921002]
FX Support from the Graduate Research School Combination "Catalysis" and
the COST program Action D35/0011 is acknowledged. Coordination of some
of our research by the FP6 Network of Excellence "Magmanet" (contract
number 515767) is also kindly acknowledged. 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. J. Tang thanks Changchun Institute of Applied
Chemistry (Start-up) and National Natural Science Foundation of China
(Grants 20871113 and 20921002) for their financial support.
NR 26
TC 6
Z9 6
U1 0
U2 7
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 5
BP 1361
EP 1365
DI 10.1039/b917410a
PG 5
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 548IZ
UT WOS:000273956200030
PM 20104363
ER
PT J
AU Kandala, S
Hammons, C
Watson, WH
Wang, XP
Richmond, MG
AF Kandala, Srikanth
Hammons, Casey
Watson, William H.
Wang, Xiaoping
Richmond, Michael G.
TI Ligand substitution behavior of Ru-6(mu(6)-C)(CO)(17) with unsaturated
diphosphines: facile capping of a polyhedral face and photochemically
promoted P-C bond cleavage in the cluster
Ru-6(mu(6)-C)(CO)(14)(mu(3)-bpcd)
SO DALTON TRANSACTIONS
LA English
DT Article
ID X-RAY STRUCTURES; 2,3-BIS(DIPHENYLPHOSPHINO)MALEIC ANHYDRIDE BMA; METAL
HAMBURGER COMPLEX; DIFFRACTION STRUCTURES;
4,5-BIS(DIPHENYLPHOSPHINO)-4-CYCLOPENTEN-1,3-DIONE BPCD; RUTHENIUM
CLUSTER; STRUCTURAL-CHARACTERIZATION; MOLECULAR-STRUCTURES;
CRYSTAL-STRUCTURES; TRIOSMIUM CLUSTER
AB The ligand substitution chemistry of the hexaruthenium cluster Ru-6(mu(6)-C)(CO)(17) (1) with several unsaturated diphosphine ligands has been investigated. Thermolysis of 1 with (Z)-Ph2PCH=CHPPh2 (dppen) furnishes the new cluster compounds Ru-5(mu(5)-C)(CO)(12)(mu(3)-dppen) (2), Ru-6(mu(6)-C)(CO)(14)(mu(3)-dppen) (3), and Ru-6(mu(6)-C)(CO)(12)(mu(3)-dppen)(mu-dppen) (4). Clusters 2 and 3 are also obtained when a mixture of 1 and dppen is treated with the oxidative-decarbonylation reagent Me3NO. Thermolysis or Me3NO activation of 1 in the presence of 4,5-bis(diphenylphosphino)-4-cyclopenten- 1,3-dione (bpcd) yields Ru-6(mu(6)-C)(CO)(14)(mu(3)-bpcd) (4) as the sole observable product. Near-UV irradiation of 4 leads to P-C bond cleavage and the formation of phosphido-bridged cluster Ru-6(mu(6)-C)(CO)(13)[mu(3)-C=C(PPh2)C(O)CH2C(O)](mu-PPh2) (6) in essentially quantitative yield. The reaction between 1 and the ligand 3,4-bis(diphenylphosphino)-5-methoxy-2(5H)-furanone (bmf) leads to the formation of Ru-6(mu(6)-C)(CO)(14)(mu(3)-bmf) (7), which exists as a single diastereomer in solution as shown by H-1 and P-31 NMR spectroscopy. The molecular structures and the binding mode of the ancillary diphosphine ligand(s) in 2-7 have all been established by X-ray diffraction analyses. The solid-state structure of 7 reveals that the chiral bmf ligand caps one of the metallic faces stereospecifically with the 5-methoxy moiety oriented distal or trans relative to the Ru-6 polyhedral core. The new substitution products are discussed relative to the products obtained from 1 and the related diphosphine ligands dppm, dppe, dppf, and dppbz.
C1 [Watson, William H.] Texas Christian Univ, Dept Chem, Ft Worth, TX 76129 USA.
[Kandala, Srikanth; Hammons, Casey; Richmond, Michael G.] Univ N Texas, Dept Chem, Denton, TX 76203 USA.
[Wang, Xiaoping] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA.
RP Watson, WH (reprint author), Texas Christian Univ, Dept Chem, Ft Worth, TX 76129 USA.
EM cobalt@unt.edu; W.Watson@tcu.edu; wangx@ornl.gov
RI Wang, Xiaoping/E-8050-2012
OI Wang, Xiaoping/0000-0001-7143-8112
FU Robert A. Welch Foundation [B1093-MGR]; U.S. Department of Energy;
Office of Science [DE-AC05-00OR22725]
FX We thank Dr. Yongxuan Su (UCSD) and Prof. Guido Verbeck (UNT), for the
use of their mass spectrometers, and Ms. Nicole Ledbetter is thanked for
recording the ESI-MS data at UNT. Financial support from the Robert A.
Welch Foundation (Grant B1093-MGR) is greatly appreciated, and X. Wang
acknowledges the support by the U.S. Department of Energy, Office of
Science, under Contract No. DE-AC05-00OR22725 managed by UT Battelle,
LLC.
NR 79
TC 10
Z9 10
U1 0
U2 2
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 6
BP 1620
EP 1629
DI 10.1039/b915337c
PG 10
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 548KM
UT WOS:000273961100032
PM 20104326
ER
PT J
AU Thallapally, PK
Fernandez, CA
Motkuri, RK
Nune, SK
Liu, J
Peden, CHF
AF Thallapally, Praveen K.
Fernandez, Carlos A.
Motkuri, Radha Kishan
Nune, Satish K.
Liu, Jun
Peden, Charles H. F.
TI Micro and mesoporous metal-organic frameworks for catalysis applications
SO DALTON TRANSACTIONS
LA English
DT Article
ID CARBOXYLATE; DESIGN
AB Micro and mesoporous metal-organic frameworks were synthesized using a single tetrahedral building block and their catalytic properties towards alkylation of toluene and biphenyl showed high selectivity for the para oriented product using these porous materials.
C1 [Thallapally, Praveen K.; Fernandez, Carlos A.; Motkuri, Radha Kishan; Nune, Satish K.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
[Liu, Jun; Peden, Charles H. F.] Pacific NW Natl Lab, Fundamental Sci & Computat Directorate, Richland, WA 99352 USA.
RP Thallapally, PK (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, 902 Battelle Blvd, Richland, WA 99352 USA.
EM Praveen.thallapally@pnl.gov
RI Motkuri, Radha/F-1041-2014; thallapally, praveen/I-5026-2014;
OI Motkuri, Radha/0000-0002-2079-4798; thallapally,
praveen/0000-0001-7814-4467; Peden, Charles/0000-0001-6754-9928
FU U.S. Department of Energy's Office of Basic Energy Sciences (BES); U.S.
Department of Energy [DE-AC05-76RL01830]
FX This work is partially supported by Laboratory Directed Research
Development and U.S. Department of Energy's Office of Basic Energy
Sciences (BES). Pacific Northwest National Laboratory is
amultiprogramming laboratory operated by Battelle for the U.S.
Department of Energy under Contract DE-AC05-76RL01830.
NR 23
TC 56
Z9 56
U1 4
U2 25
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 7
BP 1692
EP 1694
DI 10.1039/b921118g
PG 3
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 551KM
UT WOS:000274207100003
PM 20449404
ER
PT J
AU Martins, GAV
Byrne, PJ
Allan, P
Teat, SJ
Slawin, AMZ
Li, Y
Morris, RE
AF Martins, Gesley A. V.
Byrne, Peter J.
Allan, Phoebe
Teat, Simon J.
Slawin, Alexandra M. Z.
Li, Yang
Morris, Russell E.
TI The use of ionic liquids in the synthesis of zinc imidazolate frameworks
SO DALTON TRANSACTIONS
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; DOUBLE 4-RING UNITS; IONOTHERMAL SYNTHESIS;
COORDINATION POLYMER; CRYSTAL-STRUCTURE; EXTENDED POLYMORPHISM;
MOLECULAR-SIEVES; FLUORIDE IONS; SOLVENT; ALUMINOPHOSPHATE
AB Four zinc imidazolate materials has been synthesized under ionothermal conditions using ionic liquids; [Zn(C(2)O(4))(C(3)N(2)H(4))], P2(1)/a (1); [Zn(CH(3)COO)(C(3)N(2)H(3))], Ima2 (2); [Zn(4)(C(3)N(2)H(4))(C(3)N(2)H(3))(8)], P (1) over bar1 (3) and [Zn(C(3)N(2)H(3))(2)], I4(1) (4). Compounds 1 and 4 have already known structures, but have been synthesised for the first time using ionothermal methods. Compounds 2 and 3 are novel and have been synthesized for the first time in this work. The syntheses of 3 and 4 take place under almost exactly the same conditions, except that a lower synthesis temperature leads to a proportion of terminal imidazolate units in the structure of 3 while a slightly higher temperature leads to all bridging imidazolate units in 4.
C1 [Martins, Gesley A. V.; Byrne, Peter J.; Allan, Phoebe; Slawin, Alexandra M. Z.; Li, Yang; Morris, Russell E.] Univ St Andrews, Sch Chem, St Andrews KY16 9QT, Fife, Scotland.
[Teat, Simon J.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Morris, RE (reprint author), Univ St Andrews, Sch Chem, St Andrews KY16 9QT, Fife, Scotland.
EM rem1@st-andrews.ac.uk
RI Morris, Russell/G-4285-2010; Slawin, Alexandra/I-9878-2014
OI Morris, Russell/0000-0001-7809-0315; Slawin,
Alexandra/0000-0002-9527-6418
FU EPSRC; U.S. Department of Energy [DE-AC02-05CH11231]; Royal Society
Wolfson Merit Award
FX The authors thank the EPSRC for funding. 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. R.E.M. is a Royal Society Wolfson Merit Award Holder.
NR 52
TC 28
Z9 28
U1 1
U2 20
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 7
BP 1758
EP 1762
DI 10.1039/b917348j
PG 5
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 551KM
UT WOS:000274207100018
PM 20449419
ER
PT J
AU Yang, JY
Bullock, RM
Dougherty, WG
Kassel, WS
Twamley, B
DuBois, DL
DuBois, MR
AF Yang, Jenny Y.
Bullock, R. Morris
Dougherty, William G.
Kassel, W. Scott
Twamley, Brendan
DuBois, Daniel L.
DuBois, M. Rakowski
TI Reduction of oxygen catalyzed by nickel diphosphine complexes with
positioned pendant amines
SO DALTON TRANSACTIONS
LA English
DT Article
ID CYTOCHROME-C-OXIDASE; PORPHYRIN-CORROLE DYADS; HEME-COPPER OXIDASES;
FE-ONLY HYDROGENASE; O BOND ACTIVATION; MOLECULAR CATALYSTS;
ELECTROCATALYTIC ACTIVITY; ACTIVE-SITE; DIOXYGEN ACTIVATION; HANGMAN
PORPHYRINS
AB Nickel(II) bis(diphosphine) complexes that contain positioned bases in the second coordination sphere have been found to catalyze the reduction of O(2) with H(2) to selectively form water. The complexes also serve as electrocatalysts for the reduction of O(2) with the addition of a weak acid. In contrast, a closely related nickel diphosphine complex without the positioned bases is catalytically inactive for O(2) reduction. These results indicate that pendant bases in synthetic catalysts for O(2) reduction can play a similar role to proton relays in enzymes, and that such relays should be considered in the design of catalysts for multi-electron and multi-proton reactions.
C1 [Yang, Jenny Y.; Bullock, R. Morris; DuBois, Daniel L.; DuBois, M. Rakowski] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA.
[Dougherty, William G.; Kassel, W. Scott] Villanova Univ, Dept Chem, Villanova, PA 19085 USA.
[Twamley, Brendan] Univ Idaho, Dept Chem, Moscow, ID 83844 USA.
RP DuBois, DL (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA.
EM mary.rakowskidubois@pnl.gov
RI Bullock, R. Morris/L-6802-2016
OI Bullock, R. Morris/0000-0001-6306-4851
FU Office of Basic Energy Sciences of the Department of Energy
FX This work was supported by the Chemical Sciences program of the Office
of Basic Energy Sciences of the Department of Energy. The Pacific
Northwest National Laboratory is operated by Battelle for the US
Department of Energy. The Bruker (Siemens) SMART APEX diffraction
facility was established at the University of Idaho with the assistance
of the NSF-EPSCoR program and the M. J. Murdock Charitable Trust,
Vancouver, WA, USA.
NR 64
TC 42
Z9 42
U1 2
U2 24
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 12
BP 3001
EP 3010
DI 10.1039/b921245k
PG 10
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 566NJ
UT WOS:000275378500008
PM 20221533
ER
PT J
AU Fay, AW
Blank, MA
Yoshizawa, JM
Lee, CC
Wiig, JA
Hu, YL
Hodgson, KO
Hedman, B
Ribbe, MW
AF Fay, Aaron Wolfe
Blank, Michael Aaron
Yoshizawa, Janice Mariko
Lee, Chi Chung
Wiig, Jared Andrew
Hu, Yilin
Hodgson, Keith Owen
Hedman, Britt
Ribbe, Markus Walter
TI Formation of a homocitrate-free iron-molybdenum cluster on NifEN:
Implications for the role of homocitrate in nitrogenase assembly
SO DALTON TRANSACTIONS
LA English
DT Article
ID AZOTOBACTER-VINELANDII; MOFE-PROTEIN; FEMO-COFACTOR; MATURATION;
PRECURSOR; COMPLEX
AB Molybdenum (Mo)-dependent nitrogenase is a complex metalloprotein that catalyzes the biological reduction of dinitrogen (N(2)) to ammonia (NH(3)) at the molybdenum-iron cofactor (FeMoco) site of its molybdenum-iron (MoFe) protein component. Here we report the formation of a homocitrate-free, iron-molybdenum ("FeMo") cluster on the biosynthetic scaffold of FeMoco, NifEN. Such a NifEN-associated "FeMo" cluster exhibits EPR features similar to those of the NifEN-associated, fully-complemented "FeMoco", which originate from the presence of Mo in both cluster species; however, "FeMo" cluster and "FeMoco" display different temperature-dependent changes in the line shape and the signal intensity of their respective EPR features, which reflect the impact of homocitrate on the redox properties of these clusters. XAS/EXAFS analysis reveals that the Mo centers in both "FeMo" cluster and "FeMoco" are present in a similar coordination environment, although Mo in "FeMo" cluster is more loosely coordinated as compared to that in "FeMoco" with respect to the Mo-O distances in the cluster, likely due to the absence of homocitrate that normally serves as an additional ligand for the Mo in the cluster. Subsequent biochemical investigation of the "FeMo" cluster not only facilitates the determination of the sequence of events in the mobilization of Mo and homocitrate during FeMoco maturation, but also permits the examination of the role of homocitrate in the transfer of FeMoco between NifEN and MoFe protein. Combined outcome of these studies establishes a platform for future structural analysis of the interactions between NifEN and MoFe protein, which will provide useful insights into the mechanism of cluster transfer between the two proteins.
C1 [Fay, Aaron Wolfe; Yoshizawa, Janice Mariko; Lee, Chi Chung; Wiig, Jared Andrew; Hu, Yilin; Ribbe, Markus Walter] Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA.
[Blank, Michael Aaron; Hodgson, Keith Owen] Stanford Univ, Dept Chem, Stanford, CA 94305 USA.
[Hodgson, Keith Owen; Hedman, Britt] Stanford Univ, SLAC, Menlo Pk, CA 94025 USA.
RP Hu, YL (reprint author), Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA.
EM yilinh@uci.edu; hodgson@ssrl.slac.stanford.edu;
hedman@ssrl.slac.stanford.edu; mribbe@uci.edu
FU NIH [GM67626, RR001209]; DOE BES; NIH NCRR BTP; DOE BER
FX This work was supported by NIH Grants GM67626 (M.W.R.) and RR001209
(K.O.H.). SSRL operations are funded by the DOE BES, and the SSRL
Structural Molecular Biology Program by NIH NCRR BTP and DOE BER.
NR 22
TC 13
Z9 13
U1 0
U2 5
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 12
BP 3124
EP 3130
DI 10.1039/c000264j
PG 7
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 566NJ
UT WOS:000275378500022
PM 20221547
ER
PT J
AU Rao, LF
Tian, GX
Teat, SJ
AF Rao, Linfeng
Tian, Guoxin
Teat, Simon J.
TI Complexation of Np(V) with N,N-dimethyl-3-oxa-glutaramic acid and
related ligands: thermodynamics, optical properties and structural
aspects
SO DALTON TRANSACTIONS
LA English
DT Article
ID EXTRACTION; HYDROLYSIS; TODGA; NEPTUNIUM(V); LANTHANIDES; ACTINIDES;
DIAMIDE; IONS
AB Complexation of Np(V) with N,N-dimethyl-3-oxa-glutaramic acid (DMOGA) was studied in comparison with its diamide analog, N,N,N',N'-tetramethyl-3-oxa-glutaramide (TMOGA), and dicarboxylate analog, oxydiacetic acid (ODA). Thermodynamic parameters, including the stability constant and the enthalpy of complexation, were determined by spectrophotometry and calorimetry. Single-crystal structure of NpO(2)(H(2)O)(DMOGA)center dot H(2)O(c) was identified by X-ray diffractometry using synchrotron radiation. Like ODA and TMOGA, DMOGA forms a tridentate Np(V) complex, with three oxygen atoms coordinating to the linear NpO(2)(+) moiety via the equatorial plane. The stability constants, enthalpy and entropy of complexation generally decrease in the order ODA > DMOGA > TMOGA, suggesting that the complexation is entropy driven and the substitution of a carboxylate group with an amide group reduces the strength of complexation with Np(V) due to the decrease in the entropy of complexation.
C1 [Rao, Linfeng; Tian, Guoxin] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Rao, LF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM lrao@lbl.gov; gtian@lbl.gov; sjteat@lbl.gov
FU U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the Director, Office of Science, Office of
Basic Energy Sciences of the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory (LBNL).
Single-crystal X-ray diffraction data were collected at the Advanced
Light Source (ALS). ALS is a user facility operated for the U.S. DOE by
LBNL. The crystal structure of NpO2(H2O)(L)center
dot H2O(c) has been deposited at the Cambridge
Crystallographic Data Centre with the deposition number CCDC 745530.
NR 22
TC 11
Z9 11
U1 4
U2 18
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 13
BP 3326
EP 3330
DI 10.1039/b922851a
PG 5
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 570HC
UT WOS:000275662200026
PM 20449464
ER
PT J
AU Xu, GF
Gamez, P
Teat, SJ
Tang, JK
AF Xu, Gong-Feng
Gamez, Patrick
Teat, Simon J.
Tang, Jinkui
TI Praseodymium(III)-based bis-metallacalix[4]arene with host-guest
behaviour
SO DALTON TRANSACTIONS
LA English
DT Article
ID HIGH-SPIN MOLECULES; STRUCTURAL-CHARACTERIZATION; COORDINATION
CHEMISTRY; LANTHANIDE COMPLEXES; MAGNETIC-PROPERTIES; MACROCYCLIC
LIGAND; HYDROXO COMPLEXES; CLUSTERS; POLYMERS; BINDING
AB The reaction of Pr(NO3)(3)center dot 6H(2)O with the ligand 2-hydroxy-N-(2'-hydroxyethyl)-3-methoxybenzamide (H3L) in MeOH-MeCN generates the nonanuclear compound [Pr-9(H2L)(8)(OH)(10)(NO3)(8)](NO3)-(H2O)(2)(CH3CN) (1), whose single-crystal X-ray structure reveals the presence of metallacalix[4]arene cavities that host guest molecules. The crystal packing of the antiferromagnetic Pr-9 cluster shows an intricate network of hydrogen bonds producing a one-dimensional supramolecular chain.
C1 [Gamez, Patrick] Leiden Univ, Leiden Inst Chem, Gorlaeus Labs, NL-2300 RA Leiden, Netherlands.
[Xu, Gong-Feng; Tang, Jinkui] Chinese Acad Sci, State Key Lab Rare Earth Resource Utilizat, Changchun Inst Appl Chem, Changchun 130022, Peoples R China.
[Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Gamez, P (reprint author), Leiden Univ, Leiden Inst Chem, Gorlaeus Labs, POB 9502, NL-2300 RA Leiden, Netherlands.
EM p.gamez@chem.leidenuniv.nl; tang@ciac.jl.cn
RI Gamez, Patrick/B-3610-2012; Tang, Jinkui/A-1830-2014
OI Gamez, Patrick/0000-0003-2602-9525; Tang, Jinkui/0000-0002-8600-7718
FU Changchun Institute of Applied Chemistry; National Natural Science
Foundation of China [20871113, 20921002]; Director, Office of Science,
Office of Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX J. Tang thanks Changchun Institute of Applied Chemistry (Start-up) and
the National Natural Science Foundation of China (Grants 20871113 and
20921002) for their financial support. 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.
NR 41
TC 14
Z9 14
U1 0
U2 8
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 18
BP 4353
EP 4357
DI 10.1039/b925297e
PG 5
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 587YF
UT WOS:000277031800013
PM 20422093
ER
PT J
AU Engelhardt, L
Luban, M
AF Engelhardt, Larry
Luban, Marshall
TI Simple models and powerful tools for seeking a comprehensive
understanding of the magnetic properties of molecular magnets
SO DALTON TRANSACTIONS
LA English
DT Article
ID NEUTRON-SCATTERING SPECTRA; ENERGY-LEVELS; CLUSTERS
AB The Heisenberg model provides a simple but powerful theoretical platform for modelling magnetic molecules. In this article, we demonstrate that-despite its simplicity-an isotropic Heisenberg model successfully provides a comprehensive description of the magnetic properties of the {Fe(8)}-cubane and the {Cr(12)Cu(2)} magnetic molecules. However, in order to achieve this success, it is necessary to employ a variety of sophisticated experimental and theoretical techniques. These include the use of pulsed-field measurements to observe a high-field (41 T) ground-state level crossing in the {Fe(8)}-cubane system, and tunnel-diode oscillator measurements, which we use to observe excited-state level crossings in the {Cr(12)Cu(2)} ring. For these two systems, the theoretical modelling was carried out using matrix diagonalization and quantum Monte Carlo calculations, respectively.
C1 [Engelhardt, Larry] Francis Marion Univ, Dept Phys & Astron, Florence, SC 29501 USA.
[Luban, Marshall] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
[Luban, Marshall] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
RP Engelhardt, L (reprint author), Francis Marion Univ, Dept Phys & Astron, Florence, SC 29501 USA.
FU Department of Energy-Basic Energy Sciences [DE-AC02-07CH11358]
FX Work at the Ames Laboratory was supported by the Department of
Energy-Basic Energy Sciences under contract no. DE-AC02-07CH11358.
NR 15
TC 10
Z9 10
U1 1
U2 3
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 20
BP 4687
EP 4692
DI 10.1039/c000356e
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 596MR
UT WOS:000277689800004
PM 21488313
ER
PT J
AU Escuer, A
Cordero, B
Font-Bardia, M
Calvet, T
Roubeau, O
Teat, SJ
Fedi, S
de Bianie, FF
AF Escuer, Albert
Cordero, Beatriz
Font-Bardia, Merce
Calvet, Teresa
Roubeau, Olivier
Teat, Simon J.
Fedi, Serena
de Bianie, Fabrizia Fabrizi
TI Manganese clusters derived from a 2,6-diacetylpyridine dioximato ligand:
structure and magnetic study
SO DALTON TRANSACTIONS
LA English
DT Article
ID SINGLE-MOLECULE MAGNETS; 2-PYRIDYL KETONE OXIME; CRYSTAL-STRUCTURE;
CARBOXYLATE CHEMISTRY; OXIDATION-STATES; INORGANIC ANION; PYRIDYL
OXIMES; X-RAY; COMPLEXES; COPPER(II)
AB Reactions of 2,6-diacetylpyridine dioxime (dapdoH(2)) with Mn(NO(3))(2) or Mn(SO(3)CF(3))(2) under a variety of conditions or co-ligands yield compounds with the formula [Mn(6)O(2)(OMe)(2)(dapdo)(2)(dapdoH)(4)](X)(2) in which X = NO(3)(-)(1) or SO(3)CF(3)(-) (2), [Mn(8)O(2)(dapdo)(6)(NO(3))(2)]center dot H(2)O (3) and [Mn(dapdoH(2))(N(3))(2)](n) (4). Compounds 1, 3 and 4 were structurally characterized and equivalent structures for 1 and 2 were inferred from spectroscopic and analytical results. Compounds 1 and 2 consist of hexanuclear Mn(2)(II)Mn(4)(III) complexes whereas 3 consists of an octanuclear Mn(6)(II)Mn(2)(III) cluster in which the manganese atoms exhibit a rare bicapped elongated octahedral topology. Compound 4 consists of a 1D system bridged by double end-on azido ligands. Variable temperature magnetic studies were performed between 2-300 K, confirming the ground state S = 5 for 1 and 2, S = 0 for 3 and ferromagnetic response for 4.
C1 [Escuer, Albert; Cordero, Beatriz] Univ Barcelona, Dept Quim Inorgan, Barcelona 08028, Spain.
[Escuer, Albert; Cordero, Beatriz] Univ Barcelona, Inst Nanociencia & Nanotecnol, Barcelona 08028, Spain.
[Font-Bardia, Merce; Calvet, Teresa] Univ Barcelona, Dept Mineral & Cristallog, E-08028 Barcelona, Spain.
[Roubeau, Olivier] Univ Zaragoza, Inst Ciencia Mat Aragon, CSIC, E-50009 Zaragoza, Spain.
[Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Fedi, Serena; de Bianie, Fabrizia Fabrizi] Univ Siena, Dipartimento Chim, I-53100 Siena, Italy.
RP Escuer, A (reprint author), Univ Barcelona, Dept Quim Inorgan, Marti & Franques 1-11, Barcelona 08028, Spain.
EM albert.escuer@qi.ub.es
RI Escuer, Albert/L-4706-2014; Calvet, Teresa/M-3836-2014; Roubeau,
Olivier/A-6839-2010; fabrizi de biani, fabrizia/J-4372-2012
OI Escuer, Albert/0000-0002-6274-6866; Calvet, Teresa/0000-0002-4058-7171;
Roubeau, Olivier/0000-0003-2095-5843;
FU Ministerio de Ciencia y Tecnologia (Spain) [CTQ2009-07264]; U.S.
Department of Energy [DE-AC02-05CH11231]
FX The authors thank the Ministerio de Ciencia y Tecnologia (Spain),
project CTQ2009-07264, for financial support of this research and the
joint project Italy-Spain (Accion Integrada 2007-2009 in Spain, Azione
Integrata 2007-2009 in Italy) for support given to the present
investigation. The Advanced Light Source, which 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.
NR 68
TC 13
Z9 13
U1 0
U2 11
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 20
BP 4817
EP 4825
DI 10.1039/b924977j
PG 9
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 596MR
UT WOS:000277689800022
PM 21491694
ER
PT J
AU Craig, GA
Barrios, LA
Costa, JS
Roubeau, O
Ruiz, E
Teat, SJ
Wilson, CC
Thomas, L
Aromi, G
AF Craig, Gavin A.
Barrios, Leoni A.
Sanchez Costa, Jose
Roubeau, Olivier
Ruiz, Eliseo
Teat, Simon J.
Wilson, Chick C.
Thomas, Lynne
Aromi, Guillem
TI Synthesis of a novel heptacoordinated Fe(III) dinuclear complex:
experimental and theoretical study of the magnetic properties
SO DALTON TRANSACTIONS
LA English
DT Article
ID TRANSITION-METAL-COMPLEXES; QUINQUEDENTATE MACROCYCLIC LIGANDS; EXCHANGE
COUPLING-CONSTANTS; SPIN-DENSITY DISTRIBUTION; BETA-DIKETONATE LIGAND;
CRYSTAL-STRUCTURE; IRON(II) COMPLEXES; MOLECULAR-STRUCTURES;
MIXED-VALENCE; 7-COORDINATION
AB A new functionalized bis-pyrazol-pyridine ligand has been prepared by reaction with hydrazine of the corresponding bis-beta-diketone precursor, also unprecedented. The aerobic reaction of this ligand with ferrous thiocyanate in the presence of ascorbic or oxalic acid affords the dinuclear complex of seven-coordinate Fe(III), [Fe-2(H(4)L2)(2)(ox)(NCS)(4)] (1), as revealed by single crystal X-ray diffraction. This may represent an entry into a new family of [Fe-2] compounds with heptacoordinate metal centres. The capacity of this unusual chromophore to undergo magnetic super-exchange was investigated by means of bulk magnetization and DFT calculations. Both approaches confirmed the presence of antiferromagnetic interactions within the molecule. The theoretical investigation has served to describe the magnetic orbitals of Fe(III) in this unusual coordination geometry, as well as the exchange mechanism. A brief review of the scarce number of iron heptacoordinate complexes reported in the literature is also included and discussed.
C1 [Craig, Gavin A.; Barrios, Leoni A.; Sanchez Costa, Jose; Aromi, Guillem] Univ Barcelona, Dept Quim Inorgan, E-08028 Barcelona, Spain.
[Roubeau, Olivier] CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain.
[Roubeau, Olivier] Univ Zaragoza, E-50009 Zaragoza, Spain.
[Ruiz, Eliseo] Univ Barcelona, Inst Recerca Quim Teor & Computac, E-08028 Barcelona, Spain.
[Teat, Simon J.] Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Wilson, Chick C.; Thomas, Lynne] Univ Glasgow, Dept Chem, WestCHEM, Glasgow G12 8QQ, Lanark, Scotland.
RP Costa, JS (reprint author), Univ Barcelona, Dept Quim Inorgan, Diagonal 647, E-08028 Barcelona, Spain.
RI Wilson, Chick/F-1355-2011; Ruiz, Eliseo/A-6268-2011; Aromi,
Guillem/I-2483-2015; Roubeau, Olivier/A-6839-2010; Thomas,
Lynne/C-4612-2011; Sanchez Costa, Jose/N-9085-2014; BARRIOS MORENO,
LEONI ALEJANDRA/E-5413-2017;
OI Ruiz, Eliseo/0000-0001-9097-8499; Aromi, Guillem/0000-0002-0997-9484;
Roubeau, Olivier/0000-0003-2095-5843; Thomas, Lynne/0000-0003-3325-9644;
Sanchez Costa, Jose/0000-0001-5426-7956; BARRIOS MORENO, LEONI
ALEJANDRA/0000-0001-7075-9950; Craig, Gavin/0000-0003-3542-4850
FU Ministerio de Ciencia e Innovacion (MCI) [CTQ2009-06959]; MIC; Direccio
General de Recerca [CTQ2008-06670-C02-01, 2009SGR-1459]; Office of
Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy [DE-AC02-05CH11231]; [16-01-723]
FX GA thanks the Generalitat de Catalunya for the prize ICREA Academia
2008, for excellence in research. GA, JSC, LB and GC thank the
Ministerio de Ciencia e Innovacion (MCI) for grant CTQ2009-06959 and a
additional support for access to the ESRF Spanish beamline BM16, through
grant number 16-01-723. ER thanks the MIC and the Direccio General de
Recerca for grants CTQ2008-06670-C02-01 and 2009SGR-1459 as well as the
Centre de Supercomputacio de Catalunya for providing computational
resources. The Advanced Light Source (SJT) 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.
NR 69
TC 24
Z9 24
U1 1
U2 29
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 20
BP 4874
EP 4881
DI 10.1039/b927032a
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 596MR
UT WOS:000277689800029
PM 21491658
ER
PT J
AU Nayak, S
Aromi, G
Teat, SJ
Ribas-Arino, J
Gamez, P
Reedijk, J
AF Nayak, Sanjit
Aromi, Guillem
Teat, Simon J.
Ribas-Arino, Jordi
Gamez, Patrick
Reedijk, Jan
TI Hydrogen bond assisted co-crystallization of a bimetallic
(Mn2Ni2II)-Ni-III cluster and a Ni-2(II) cluster unit: synthesis,
structure, spectroscopy and magnetism
SO DALTON TRANSACTIONS
LA English
DT Article
ID SINGLE-MOLECULE MAGNETS; GAUSSIAN-BASIS SETS; HIGH-SPIN MOLECULES;
PHOTOSYSTEM-II; MANGANESE CATALASE; METAL-COMPLEXES; ATOMS LI; MODEL;
NICKEL; AGGREGATE
AB A new bimetallic Schiff-base composite complex [Ni-2(LH2)(2)(H2O)(2)Cl-2][Mn2Ni2(LH)(4)](2)Cl-4(CH3OH) (1) has been synthesized by a simple one-pot reaction. The compound was structurally characterized by single-crystal X-ray diffraction. In the crystal structure the dinuclear nickel units are connected to the tetranuclear Mn2Ni2 units by means of strong hydrogen-bonding interactions. The compound was further characterized by ESI-MS, ligand-field and infrared spectroscopy. The magnetic properties of the compound have been studied in combination with preliminary DFT calculations, and have resulted in the successful determination of the nature of the magnetic exchange interactions between the metal ions, and hence the coupling constants.
C1 [Nayak, Sanjit; Gamez, Patrick; Reedijk, Jan] Leiden Univ, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands.
[Aromi, Guillem] Univ Barcelona, Dept Quim, E-08028 Barcelona, Spain.
[Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Ribas-Arino, Jordi] Ruhr Univ Bochum, Lehrstuhl Theoret Chem, D-44780 Bochum, Germany.
RP Reedijk, J (reprint author), Leiden Univ, Leiden Inst Chem, POB 9502, NL-2300 RA Leiden, Netherlands.
EM reedijk@chem.leidenuniv.nl
RI Nayak, Sanjit/C-4591-2011; Ribas, Jordi/G-8076-2011; Reedijk,
Jan/F-1992-2010; Gamez, Patrick/B-3610-2012; Aromi, Guillem/I-2483-2015
OI Nayak, Sanjit/0000-0002-0342-9860; Ribas, Jordi/0000-0003-4088-6187;
Reedijk, Jan/0000-0002-6739-8514; Gamez, Patrick/0000-0003-2602-9525;
Aromi, Guillem/0000-0002-0997-9484
FU FP6 Network of Excellence [515767]; Office of Science, Office of Basic
Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]
FX Financial support and help from the FP6 Network of Excellence "Magmanet"
is kindly acknowledged (contract number 515767). 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.
NR 44
TC 8
Z9 9
U1 2
U2 14
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 20
BP 4986
EP 4990
DI 10.1039/b919654d
PG 5
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 596MR
UT WOS:000277689800042
PM 21491701
ER
PT J
AU Himeur, F
Allan, PK
Teat, SJ
Goff, RJ
Morris, RE
Lightfoot, P
AF Himeur, Farida
Allan, Phoebe K.
Teat, Simon J.
Goff, Richard J.
Morris, Russell E.
Lightfoot, Philip
TI Increasing the dimensionality of hybrid vanadium oxyfluorides using
ionothermal synthesis
SO DALTON TRANSACTIONS
LA English
DT Article
ID (VO)(2)P2O7; TEMPLATE
AB A unique organically-templated vanadium(IV) oxyfluoride, [pyH][V(2)O(2)F(5)] has been prepared using an ionothermal approach. This compound has a novel layered structure which may be considered as arising via condensation of previously known 'ladder-like' structural building units. This suggests that ionothermal synthesis may provide a more effective route to extended network structures in these systems than the more widely explored hydrothermal-based media.
C1 [Himeur, Farida; Allan, Phoebe K.; Goff, Richard J.; Morris, Russell E.; Lightfoot, Philip] Univ St Andrews, Sch Chem, St Andrews KY16 9ST, Fife, Scotland.
[Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Lightfoot, P (reprint author), Univ St Andrews, Sch Chem, St Andrews KY16 9ST, Fife, Scotland.
EM pl@st-and.ac.uk
RI Morris, Russell/G-4285-2010;
OI Morris, Russell/0000-0001-7809-0315; Lightfoot,
Philip/0000-0001-7048-3982
FU EPSRC; Royal Society; Office of Basic Energy Sciences, U.S. Department
of Energy [DE-AC02-05CH11231]
FX We thank Prof. Alex Slawin for assistance in collecting the diffraction
data, Ms Alex Gibbs for assistance with the magnetic measurements and
EPSRC for funding. REM is a Royal Society Wolfson Merit Award holder.
The ALS is supported by the Office of Basic Energy Sciences, U.S.
Department of Energy, under Contract No. DE-AC02-05CH11231.
NR 20
TC 26
Z9 26
U1 0
U2 5
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 26
BP 6018
EP 6020
DI 10.1039/c000318b
PG 3
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 614ZO
UT WOS:000279098700010
PM 20571644
ER
PT J
AU Werkema, EL
Andersen, RA
Maron, L
Eisenstein, O
AF Werkema, Evan L.
Andersen, Richard A.
Maron, Laurent
Eisenstein, Odile
TI The reaction of bis(1,2,4-tri-t-butylcyclopentadienyl)ceriumbenzyl, Cp '
2CeCH2Ph, with methylhalides: a metathesis reaction that does not
proceed by a metathesis transition state
SO DALTON TRANSACTIONS
LA English
DT Article
ID X-RAY; CRYSTAL-STRUCTURE; FLUORINE EXCHANGE; DEGREES C; COMPLEXES;
HYDROGEN; DFT; THORIUM; LIGAND; PSEUDOPOTENTIALS
AB The experimental reaction between [1,2,4-(Me3C)(3)C5H2](2)CeCH2Ph and CH3X, X = F, Cl, Br, and I, yields the metathetical exchange products, [1,2,4-(Me3C)(3)C5H2](2)CeX and CH3CH2Ph. The reaction is complicated by the equilibrium between the benzyl derivative and the metallacycle [1,2,4-(Me3C)(3)C5H2][(Me3C)(2)C5H2C(CH3)(2)CH2] Ce, plus toluene since the metallacycle reacts with CH3X. Labelling studies show that the methyl group of the methylhalide is transferred intact to the benzyl group. The mechanism, as revealed by DFT calculations on (C5H5)(2)CeCH2Ph and CH3F, does not proceed by way of a four-center mechanism, a sigma-bond metathesis, but by a lower barrier process involving a haptotropic shift of the Cp2Ce fragment so that at the transition state the para-carbon of the benzene ring is attached to the Cp2Ce fragment while the CH2 fragment of the benzyl group attacks CH3F that is activated by coordination to the metal ion. As a result the mechanism is classi. ed as an associative interchange process.
C1 [Werkema, Evan L.; Andersen, Richard A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Berkeley, CA 94720 USA.
[Werkema, Evan L.; Andersen, Richard A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Maron, Laurent] Univ Toulouse, INSA, UPS, LPCNO, F-31077 Toulouse, France.
[Maron, Laurent] CNRS, LPCNO, F-31077 Toulouse, France.
[Eisenstein, Odile] Univ Montpellier 2, CNRS 5253, Inst Charles Gerhardt, F-34095 Montpellier, France.
RP Andersen, RA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Berkeley, CA 94720 USA.
RI Eisenstein, Odile/I-1704-2016
OI Eisenstein, Odile/0000-0001-5056-0311
FU Director, Office of Science, Office of Basic Energy Sciences (OBES), of
the U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; CNRS; Ministere
de l'Enseignement Superieur et de la Recherche
FX This work was supported by the Director, Office of Science, Office of
Basic Energy Sciences (OBES), of the U.S. Department of Energy (DOE)
under Contract No. DE-AC02-05CH11231. We thank F. J. Hollander and A. G.
DiPasquale at CHEXRAY, the U. C. Berkeley X-ray diffraction facility,
for help with the crystallography. L. M thanks the CINES and CALMIP for
a generous grant of computing time. L. M. is also a junior member of the
Institut Universitaire de France, L. M. and O. E thank the CNRS and
Ministere de l'Enseignement Superieur et de la Recherche for funding.
NR 43
TC 17
Z9 17
U1 0
U2 13
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 29
BP 6648
EP 6660
DI 10.1039/b918103b
PG 13
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 625RQ
UT WOS:000279913100011
PM 20631948
ER
PT J
AU Thomson, RK
Graves, CR
Scott, BL
Kiplinger, JL
AF Thomson, Robert K.
Graves, Christopher R.
Scott, Brian L.
Kiplinger, Jaqueline L.
TI Organometallic uranium(IV) fluoride complexes: preparation using
protonolysis chemistry and reactivity with trimethylsilyl reagents
SO DALTON TRANSACTIONS
LA English
DT Article
ID RAY CRYSTAL-STRUCTURE; ORGANOURANIUM COMPLEXES; ELECTRONIC-STRUCTURE;
AGOSTIC INTERACTIONS; ATOM-ABSTRACTION; SYNTHETIC ROUTES; METAL;
BEHAVIOR; METALLOCENES; DERIVATIVES
C1 [Thomson, Robert K.; Graves, Christopher R.; Scott, Brian L.; Kiplinger, Jaqueline L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Kiplinger, JL (reprint author), Los Alamos Natl Lab, Mail Stop J-514, Los Alamos, NM 87545 USA.
EM kiplinger@lanl.gov
RI Kiplinger, Jaqueline/B-9158-2011; Scott, Brian/D-8995-2017
OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott,
Brian/0000-0003-0468-5396
NR 51
TC 18
Z9 18
U1 1
U2 15
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 29
BP 6826
EP 6831
DI 10.1039/c001911a
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 625RQ
UT WOS:000279913100033
PM 20467691
ER
PT J
AU Swartz, DL
Spencer, LP
Scott, BL
Odom, AL
Boncella, JM
AF Swartz, Douglas L., II
Spencer, Liam P.
Scott, Brian L.
Odom, Aaron L.
Boncella, James M.
TI Exploring the coordination modes of pyrrolyl ligands in bis(imido)
uranium(VI) complexes
SO DALTON TRANSACTIONS
LA English
DT Article
ID STRUCTURAL-CHARACTERIZATION; SOLVENT DEOXYGENATION; DIPYRROLIDE LIGANDS;
YTTERBIUM COMPLEXES; MOLECULAR-STRUCTURE; HYDROAMINATION; TITANIUM;
CYCLOPENTADIENYL; ACTIVATION; SAMARIUM
AB The preparation of a family of bis(imido) uranium(VI) complexes stabilized by mono- and bidentate pyrrolyl ancillary ligands is described. X-ray crystallographic studies of dipyrrolylmethane (dpm) derivatives show that the pyrrolyl coordination mode in these uranium(VI) ions is unexpected in comparison to analogous transition metal and lanthanide chemistry. The ability of the coordinated pyrrolyl moieties to undergo pyrrolyl isomerization has also been explored and demonstrates reactivity that is unique from structurally similar uranium(VI)-bis(cyclopentadienyl) derivatives.
C1 [Odom, Aaron L.] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA.
[Swartz, Douglas L., II] Kutztown State Univ, Dept Chem, Kutztown, PA 19530 USA.
[Spencer, Liam P.; Scott, Brian L.; Boncella, James M.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
RP Odom, AL (reprint author), Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA.
EM swartz@kutztown.edu; odom@chemistry.msu.edu
RI Scott, Brian/D-8995-2017;
OI Scott, Brian/0000-0003-0468-5396; Odom, Aaron/0000-0001-8530-4561;
Boncella, James/0000-0001-8393-392X
FU National Science Foundation of the United States; American Chemical
Society; Seaborg Institute (Los Alamos National Laboratory); LANL LDRD
office
FX DLS and ALO thank the National Science Foundation of the United States
and the Petroleum Research Fund administered by the American Chemical
Society for funding. DLS thanks the Seaborg Institute (Los Alamos
National Laboratory) for a fellowship to support this work. LPS thanks
the LANL LDRD office for partial support of this work.
NR 48
TC 20
Z9 20
U1 1
U2 12
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 29
BP 6841
EP 6846
DI 10.1039/c002440f
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 625RQ
UT WOS:000279913100035
PM 20485773
ER
PT J
AU Weck, PF
Kim, E
Poineau, F
Rodriguez, EE
Sattelberger, AP
Czerwinski, KR
AF Weck, Philippe F.
Kim, Eunja
Poineau, Frederic
Rodriguez, Efrain E.
Sattelberger, Alfred P.
Czerwinski, Kenneth R.
TI Structural and electronic trends in rare-earth technetate pyrochlores
SO DALTON TRANSACTIONS
LA English
DT Article
ID BRILLOUIN-ZONE INTEGRATIONS; AUGMENTED-WAVE METHOD; RADIATION TOLERANCE;
CRYSTAL-STRUCTURE; OXIDES; SOLIDS; CONDUCTIVITY; PLUTONIUM; MOLECULES;
ENERGY
AB We report the structures and electronic properties of nine novel rare earth technetate pyrochlores with ideal stoichiometry Ln(2)Tc(2)O(7) (Ln = Ce-Pm, Gd, Tb, Ho, Tm, Lu) predicted within the framework of gradient-corrected density functional theory. The computed structures of Er(2)Tc(2)O(7), Dy(2)Tc(2)O(7), and Sm(2)Tc(2)O(7) also closely match available X-ray diffraction data.
C1 [Weck, Philippe F.; Poineau, Frederic; Czerwinski, Kenneth R.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA.
[Weck, Philippe F.; Poineau, Frederic; Czerwinski, Kenneth R.] Univ Nevada, Harry Reid Ctr Environm Studies, Las Vegas, NV 89154 USA.
[Kim, Eunja] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA.
[Rodriguez, Efrain E.] Natl Inst Stand & Technol, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Sattelberger, Alfred P.] Argonne Natl Lab, Energy Engn & Syst Anal Directorate, Argonne, IL 60439 USA.
RP Weck, PF (reprint author), Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA.
EM weckp@unlv.nevada.edu
RI Rodriguez, Efrain/N-1928-2013;
OI Rodriguez, Efrain/0000-0001-6044-1543; , Philippe/0000-0002-7610-2893
FU U.S. Department of Energy, Office of Nuclear Energy [DE-FG07-01AL67358];
US Department of Energy [0089445, DE-AC07-05ID14517]
FX This project was funded under the auspices of the U.S. Department of
Energy, Office of Nuclear Energy, Cooperative Agreement No.
DE-FG07-01AL67358. Funding for this research was also provided by a
subcontract through Battelle 0089445 from the US Department of Energy,
Agreement No. DE-AC07-05ID14517. We thank Christopher R. Stanek, Kurt E.
Sickafus (LANL), and Thomas Hartmann (UNLV) for fruitful discussions.
NR 36
TC 10
Z9 10
U1 0
U2 4
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 31
BP 7207
EP 7210
DI 10.1039/c0dt00212g
PG 4
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 633SY
UT WOS:000280527300002
PM 20571708
ER
PT J
AU Antonio, MR
Jing, J
Burton-Pye, BP
Francesconi, LC
AF Antonio, Mark R.
Jing, Jing
Burton-Pye, Benjamin P.
Francesconi, Lynn C.
TI Series behavior of lanthanoid(III) complexes with the
alpha-1-Wells-Dawson heteropolyoxoanion in acetonitrile:
electrochemistry and Ln coordination
SO DALTON TRANSACTIONS
LA English
DT Article
ID MONOVACANT DAWSON POLYOXOTUNGSTATE; AQUEOUS CHLORIDE SOLUTIONS;
ABSORPTION FINE-STRUCTURE; X-RAY-DIFFRACTION; RARE-EARTH IONS;
LANTHANIDE COMPLEXES; NMR-SPECTROSCOPY; WELLS-DAWSON;
STRUCTURAL-CHARACTERIZATION; CHIRAL POLYOXOTUNGSTATES
AB The tetra-n-butylammonium (TBA(+)) salts for a series of lanthanoid(III) (Ln = Nd, Sm, Eu, Tb, Dy, Yb, and Y) complexes with the alpha-1-isomer of the Wells-Dawson heteropolyoxoanion, alpha-1-[P(2)W(17)O(61)](10), were prepared and characterized by voltammetry, controlled-potential bulk electrolysis, Eu L(3)-edge XANES spectroelectrochemistry, and Ln L(3)-edge X-ray absorption spectroscopy. Aspects of the series behavior across the 4f period for the complex anions with nominal 1 : 1 Ln(III): alpha-1-[P(2)W(17)O(61)](10-) stoichiometries are detailed. The voltammetric response of the alpha-1 ligand alone in dry acetonitrile (with 0.1 M (TBA)PF(6) electrolyte) is concentration independent and remarkably well-defined with five waves attributable to W-based redox processes. The formation of heteropoly blue solutions upon electrochemical reduction results in chemical instabilities and isomerization. The deliberate addition of water turns an otherwise ideal response into a broad and poorly resolved one, wherein the first reduction process is shifted 150 mV to more positive electrode potentials. Upon its coordination with Ln(III) ions, the voltammetric response develops notable complexities with as many as ten concentration-dependent couples attributable to W-based redox processes of the Ln: a-1 complexes. The results from in situ Eu L3-edge XANES of the Eu(III): a-1 complex provide no evidence for the one-electron reduction of Eu(III) at controlled electrode potentials comparable to those that were previously found to form Eu(II) in the potassium salt of the corresponding Eu(III) complex upon reduction in an aqueous electrolyte. To explain the contrasting system behaviors, the Ln(III) coordination environments in the TBA(5)H(2)[(H(2)O)(n)Ln(alpha-1-P(2)W(17)O(61))] solid salts, including the extent of Ln hydration (n) upon their dissolution in acetonitrile, were determined through use of EXAFS, which demonstrates a structural uniformity among the salts and their acetonitrile solutions, wherein the average Ln-O interatomic distances and O coordination numbers reveal variations that are consistent with the effects of the lanthanoid contraction. The side-by-side comparison of the solid and solution data provides evidence that is consistent with a partial solvent (H(2)O-CH(3)CN) exchange upon dissolution in MeCN. Details of the Ln(III) coordination chemistry, wherein the decrease in the ionic radius from the large, light Nd(III) to the small, heavy Yb(III), are presented in the context of known structural and physical phenomena of acetonitrile solvates, aqua ions, and the corresponding water-soluble K(7)[(H(2)O)(4)Eu(alpha-1-P(2)W(17)O(61))] complex.
C1 [Antonio, Mark R.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Jing, Jing; Burton-Pye, Benjamin P.; Francesconi, Lynn C.] CUNY Hunter Coll, Dept Chem, New York, NY 10021 USA.
[Jing, Jing; Burton-Pye, Benjamin P.; Francesconi, Lynn C.] CUNY, Grad Sch, Dept Chem, New York, NY 10021 USA.
RP Antonio, MR (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
FU U.S. Department of Energy, Office of Basic Energy Science, Division of
Chemical Sciences, Biosciences and Geosciences [DE-AC02-06CH11357];
National Science Foundation [CHE 0414218, CHE 0750118]; Department of
Energy, Heavy Element Chemistry [DEFG02-09ER16097]; Department of
Energy, Biological and Environmental Research [DE-SC0002456]; NIH NCI [5
SC1 CA138177]; NIH [RR03037-08]
FX We thank Dr Nadia Leyarovska for generous assistance at the APS Sector
12 beam line. This work is supported by the U.S. Department of Energy,
Office of Basic Energy Science, Division of Chemical Sciences,
Biosciences and Geosciences, under contract No DE-AC02-06CH11357 (for
the parts performed at Argonne National Laboratory). LCF is grateful to
the National Science Foundation (Grant Nos. CHE 0414218 and CHE
0750118); Department of Energy, Heavy Element Chemistry
(DEFG02-09ER16097); Department of Energy, Biological and Environmental
Research (DE-SC0002456); NIH NCI 5 SC1 CA138177. Research infrastructure
at Hunter College is partially supported by NIH-Research Centers in
Minority Institutions Grant RR03037-08.
NR 72
TC 8
Z9 8
U1 2
U2 30
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 34
BP 7980
EP 7992
DI 10.1039/c0dt00394h
PG 13
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 641FI
UT WOS:000281109800018
PM 20672167
ER
PT J
AU Boyle, TJ
Raymond, R
Boye, DM
Ottley, LAM
Lu, P
AF Boyle, Timothy J.
Raymond, Rebecca
Boye, Daniel M.
Ottley, Leigh Anna M.
Lu, Ping
TI Structurally characterized luminescent lanthanide zinc carboxylate
precursors for Ln-Zn-O nanomaterials
SO DALTON TRANSACTIONS
LA English
DT Article
ID X-RAY STRUCTURES; CRYSTAL-STRUCTURE; THIN-FILMS; ALKOXIDE PRECURSORS; EU
NANOPARTICLES; SOLUTION ROUTES; CERIUM COMPLEX; IONS; PHOTOLUMINESCENCE;
MORPHOLOGY
AB A novel family of lanthanide zinc carboxylate compounds was synthesized, characterized (structural determination and luminescent behavior), and investigated for utility as single-source precursors to Ln-Zn-O nanoparticles. Carboxylic acids [H-ORc = H-OPc (H-O2CCH(CH3)(2), H-OBc (H-O2CC(CH3)(3), H-ONc (H-O2CCH2C(CH3)(3))] were individually reacted with diethyl zinc (ZnEt2) to yield a set of previously unidentified zinc carboxylates: (i) [Zn(mu-ORc)(3)Zn(mu-ORc)](n) [ORc = OPc (1), ONc (2)], (ii) [(py)Zn](2)(mu-ORc)(4) [ORc = OBc (3), ONc (4), and py = pyridine], or (iii) Zn(ORc)(2)(solv)(2) [ORc/solv = OPc/py (5), O(c)Nc/H2O (6) (O(c)Rc = chelating)]. Introduction of lanthanide cation [Ln[N(SiMe3)(2)](3), ZnEt2, and HOBc in py] yielded the mixed cationic species structurally characterized as: (i) (O(c)Bc)Ln[(mu-OBc)(3)Zn(py)](2) [Ln = Pr (7), Nd (8), Sm (9)] or (ii) (py)(2)Zn(mu-OBc)(3)Ln(O(c)Bc)(2)(py) [Ln = Tb (10), Dy (11), Er (12), Y (13), Yb (14)]. Exploration of alternative starting materials [Ln(NO3)(3)center dot nH(2)O, Zn(O2CCH3)(2), HOBc in py] led to the isolation of (NO3c)Ln[(mu-OBc)(3)Zn(py)](2) [Ln = La (15), Ce (16), Pr (17), Nd (18), Sm (19), Eu (20), Gd (21), Tb (22) Dy (23), and Er (24); NO3c = chelating]. The UV-vis spectra of 7-24 revealed standard absorption spectra for the Ln cations. Representative compounds were used to generate nanoparticles from an established 1,4-butanediol-based solution precipitation route. The nanoproducts isolated adopted either a mixed zincite/lanthanum oxide (18n or 22n) or pure zincite (8n or 10n) phase dependent on NO3 or OBc moiety. Fluorescence was not observed for any of these nanomaterials possibly due to phase separation, low crystallinity, surface traps, and/or quenching based on elevated Ln cation content.
C1 [Boyle, Timothy J.; Raymond, Rebecca; Ottley, Leigh Anna M.; Lu, Ping] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA.
[Boye, Daniel M.] Davidson Coll, Dept Phys, Davidson, NC 28035 USA.
RP Boyle, TJ (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd SE, Albuquerque, NM 87106 USA.
EM tjboyle@Sandia.gov
FU National Institutes of Health through the NIH Roadmap for Medical
Research [1 R21 EB005365-01]; U.S. Department of Energy, Office of Basic
Energy Sciences, Division of Materials Sciences and Engineering
[DE-AC04-94AL85000]
FX For support of this research, the authors thank the National Institutes
of Health funded through the NIH Roadmap for Medical Research, Grant #1
R21 EB005365-01 [information on this RFA (Innovation in Molecular
Imaging Probes) can be found at
http://grants.nih.gov/grants/guide/rfa-files/RFARM-04-021.html] and the
U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering under Contract DE-AC04-94AL85000.
Sandia is a multiprogram laboratory operated by Sandia Corporation, a
Lockheed Martin Company, for the United States Department of Energy.
NR 61
TC 6
Z9 6
U1 0
U2 11
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 34
BP 8050
EP 8063
DI 10.1039/c002492a
PG 14
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 641FI
UT WOS:000281109800025
PM 20664850
ER
PT J
AU Anderson, TM
Ingersoll, D
Rose, AJ
Staiger, CL
Leonard, JC
AF Anderson, Travis M.
Ingersoll, David
Rose, Alyssa J.
Staiger, Chad L.
Leonard, Jonathan C.
TI Synthesis of an ionic liquid with an iron coordination cation
SO DALTON TRANSACTIONS
LA English
DT Article
ID CATALYTIC REACTIONS; TRANSITION; SOLVENTS; ANION
AB An iron-based ionic liquid, Fe((OHCH(2)CH(2))(2)NH)(6)-(CF(3)SO(3))(3), is synthesized in a single-step complexation reaction. Infrared and Raman data suggest NH(CH(2)CH(2)OH)(2) primarily coordinates to Fe(III) through alcohol groups. The compound has T(g) and T(d) values of -64 degrees C and 260 degrees C, respectively. Cyclic voltammetry reveals quasi-reversible Fe(III)/Fe(II) reduction waves.
C1 [Anderson, Travis M.; Ingersoll, David; Rose, Alyssa J.; Staiger, Chad L.; Leonard, Jonathan C.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Anderson, TM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM tmander@sandia.gov
FU U.S. Department of Energy, Office of Electricity; Lockheed Martin
company; U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX We gratefully acknowledge the U.S. Department of Energy, Office of
Electricity, for funding, and M. Stoll for technical assistance. Sandia
National Laboratories is a multi-program laboratory 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.
NR 36
TC 32
Z9 32
U1 2
U2 39
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 37
BP 8609
EP 8612
DI 10.1039/c0dt00523a
PG 4
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 649AE
UT WOS:000281736500004
PM 20697626
ER
PT J
AU Poineau, F
Weck, PF
German, K
Maruk, A
Kirakosyan, G
Lukens, W
Rego, DB
Sattelberger, AP
Czerwinski, KR
AF Poineau, Frederic
Weck, Philippe F.
German, Konstantin
Maruk, Alesya
Kirakosyan, Gayane
Lukens, Wayne
Rego, Daniel B.
Sattelberger, Alfred P.
Czerwinski, Kenneth R.
TI Speciation of heptavalent technetium in sulfuric acid: structural and
spectroscopic studies
SO DALTON TRANSACTIONS
LA English
DT Article
ID HIGH-VALENT; COMPLEXES; PERMANGANATE; OXIDATION; WATER; ION
AB The speciation of Tc(VII) was studied in 12 M H(2)SO(4) by NMR, UV-visible and XAFS spectroscopy. Experimental results and density functional calculations show the formation of TcO(3)(OH)(H(2)O)(2).
C1 [Poineau, Frederic; Weck, Philippe F.; Rego, Daniel B.; Czerwinski, Kenneth R.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA.
[German, Konstantin; Maruk, Alesya; Kirakosyan, Gayane] Russian Acad Sci, AN Frumkin Inst Phys Chem & Electrochem, Moscow 119991, Russia.
[Lukens, Wayne] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Sattelberger, Alfred P.] Argonne Natl Lab, Energy Sci & Engn Directorate, Argonne, IL 60439 USA.
RP Poineau, F (reprint author), Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA.
EM poineauf@unlv.nevada.edu
RI German, Konstantin/B-7694-2011; Kirakosyan, Gayana/N-7251-2015;
OI German, Konstantin/0000-0003-2368-4081; Kirakosyan,
Gayana/0000-0002-5801-2827; , Philippe/0000-0002-7610-2893; Maruk,
Alesya/0000-0003-2576-2338
FU US Department of Energy [0089445, DE-AC07-05ID14517]; U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357, DE-AC02-05CH11231]
FX The authors thank Mr. Tom O'Dou for outstanding health physics support,
Dr Gordon Jarvinen (LANL) for a generous loan of ammonium pertechnetate,
Dr Nadia Leyarovska (ANL) for assistance with the XAFS measurements and
Mr. Lew Cary for assistance with NMR experiments. Funding for this
research was provided by a subcontract through Battelle 0089445 from the
US Department of Energy, agreement no.: DE-AC07-05ID14517. 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. Part of this work was supported by the U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences, under Contract No. DE-AC02-05CH11231.
NR 32
TC 22
Z9 22
U1 0
U2 16
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 37
BP 8616
EP 8619
DI 10.1039/c0dt00695e
PG 4
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 649AE
UT WOS:000281736500006
PM 20730190
ER
PT J
AU Tian, GX
Rao, LF
AF Tian, Guoxin
Rao, Linfeng
TI Complexation of NpO2+ with N-methyl-iminodiacetic acid: a comparison
with iminodiacetic and dipicolinic acids
SO DALTON TRANSACTIONS
LA English
DT Article
ID NEPTUNIUM(V); EXTRACTION; URANIUM(VI); HYDROLYSIS; ABSORPTION;
EQUILIBRIA; DIAMIDES; SPECTRA
AB Complexation of Np(v) with N-methyl-iminodiacetic acid (MIDA) in 1 M NaClO4 solution was studied with multiple techniques including potentiometry, spectrophotometry, and microcalorimetry. The 1 : 2 complex, NpO2(MIDA)(2)(3-) was identified for the first time in aqueous solution. The correlation between its optical absorption properties and symmetry was discussed, in comparison with Np(v) complexes with two structurally related nitrilo-dicarboxylic acids, iminodiacetic acid (IDA) and dipicolinic acid (DPA). The order of the binding strength (DPA > MIDA > IDA) is explained by the difference in the structural and electronic properties of the ligands. In general, the nitrilo-dicarboxylates form stronger complexes with Np(v) than oxy-dicarboxylates due to a much more favorable enthalpy of complexation.
C1 [Tian, Guoxin; Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Rao, LF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM LRao@lbl.gov
FU Office of Science, Office of Basic Energy Sciences of the U.S.
Department of Energy; Single Investigator and Small Group Research
Program (SISGR); Lawrence Berkeley National Laboratory
[DE-AC02-05CH11231]
FX This work was supported by the Director, Office of Science, Office of
Basic Energy Sciences of the U.S. Department of Energy, the Single
Investigator and Small Group Research Program (SISGR) and the Heavy
Element Chemistry Program, under Contract No. DE-AC02-05CH11231 at
Lawrence Berkeley National Laboratory.
NR 19
TC 5
Z9 5
U1 1
U2 12
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 41
BP 9866
EP 9871
DI 10.1039/c0dt00779j
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 662LJ
UT WOS:000282808500015
PM 20842306
ER
PT J
AU Ellis, BD
Atkins, TM
Peng, Y
Sutton, AD
Gordon, JC
Power, PP
AF Ellis, Bobby D.
Atkins, Tonya M.
Peng, Yang
Sutton, Andrew D.
Gordon, John C.
Power, Philip P.
TI Synthesis and thermolytic behavior of tin(IV) formates: in search of
recyclable metal-hydride systems
SO DALTON TRANSACTIONS
LA English
DT Article
ID HYDROGEN STORAGE; AMMONIA-BORANE; CRYSTAL-STRUCTURE; CARBON-DIOXIDE;
THERMAL-DECOMPOSITION; ORGANOTIN BIOCIDES; AMINE-BORANE; EFFICIENT;
REGENERATION; MOLECULES
AB The synthesis and characterization of the series of organotin formates together with their thermolytic behavior are described. The diformate Bu(2)(n)Sn{OC(O)H}(2) (1) was synthesized by the reaction of Bu(2)(n)SnH(2) with formic acid. The triorganotin monoformate compounds R(3)SnOC(O)H (R = Cy (cyclohexyl)) 3, Mes, (mesityl, 2,4,6-trimethylphenyl) 4, and Dmp (2,6-dimethylphenyl 5) were obtained by the reaction of R(3)SnOH with formic acid. Their X-ray crystal structures along with that of the previously reported formate (PhCH(2))(3)SnOC(O)H (2) were determined. The diformate 1 exhibits an extended two-dimensional polymeric structure in which six-coordinate tin centers are linked by formate bridges. The tribenzyltin formate (2) possesses a chain structure in which the five-coordinate Sn(CH(2)Ph)(3) units are bridged by formate ions. The cyclohexyl derivative 3 was observed to have a similar structure. In contrast, the Mes and Dmp derivatives 4 and 5 support monomeric structures in which the four-coordinate tin atom is bound to an oxygen of the formate ligand. Heating the compounds in various high boiling solvents produced no decomposition up to 120 degrees C in the case of 1 and refluxing a solution of 2 or 3 in mesitylene or diglyme left the starting material mostly unchanged, although 3 decomposed to an insoluble orange solid in refluxing decalin. In contrast, the heating of 4 and 5 in refluxing mesitylene led to elimination of CO to give the tin hydroxides. The results are in contrast to the known thermolytic behavior of R(3)SnOC(O) H (R = Pr(n) or Bu(n)) complexes, which eliminate CO(2) to generate R(3)SnH. Compounds 3-5 are rare examples of structurally characterized tin formates.
C1 [Sutton, Andrew D.; Gordon, John C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Ellis, Bobby D.; Atkins, Tonya M.; Peng, Yang; Power, Philip P.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA.
RP Sutton, AD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RI Peng, Yang/A-3924-2011; Ellis, Bobby/D-3306-2011; Sutton,
Andrew/D-1047-2015
OI Sutton, Andrew/0000-0001-7984-1715
FU U.S. Department of Energy Center of Excellence for Chemical Hydrogen
Storage
FX This work was funded by the U.S. Department of Energy Center of
Excellence for Chemical Hydrogen Storage.
NR 35
TC 2
Z9 2
U1 0
U2 9
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 44
BP 10659
EP 10663
DI 10.1039/c0dt00812e
PG 5
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 674KI
UT WOS:000283740500019
PM 20924506
ER
PT J
AU Briggs, BN
McMillin, DR
Todorova, TK
Gagliardi, L
Poineau, F
Czerwinski, KR
Sattelberger, AP
AF Briggs, Breeze N.
McMillin, David R.
Todorova, Tanya K.
Gagliardi, Laura
Poineau, Frederic
Czerwinski, Kenneth R.
Sattelberger, Alfred P.
TI First emission studies of Tc2X82- systems (X = Cl, Br)
SO DALTON TRANSACTIONS
LA English
DT Article
ID EXCITED-STATE; COMPLEXES; SPECTRA; LUMINESCENCE; TRANSITION; LIFETIMES;
BOND
AB The emission spectra of the solids [n-Bu4N](2)Tc2X8 (X = Cl, Br) have been investigated at room temperature and 77 K. In each case, the emission originates in the (1)delta-delta* excited state, as with the rhenium homologues, but has a shorter lifetime.
C1 [Briggs, Breeze N.; McMillin, David R.] Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA.
[Todorova, Tanya K.] Univ Geneva, Dept Phys Chem, CH-1211 Geneva, Switzerland.
[Gagliardi, Laura] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA.
[Gagliardi, Laura] Univ Minnesota, Inst Supercomp, Minneapolis, MN 55455 USA.
[Poineau, Frederic; Czerwinski, Kenneth R.; Sattelberger, Alfred P.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA.
[Sattelberger, Alfred P.] Argonne Natl Lab, Energy Engn & Syst Anal Directorate, Argonne, IL 60439 USA.
RP McMillin, DR (reprint author), Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA.
EM mcmillin@purdue.edu; Tanya.Todorova@unige.ch; gagliard@umn.edu;
poineauf@unlv.nevada.edu; asattelberger@anl.gov
RI Todorova, Tanya/M-1849-2013
OI Todorova, Tanya/0000-0002-7731-6498
FU NSF [CHE 0847229]; Office of Basic Energy Sciences, U.S. Department of
Energy [USDOE/DE-SC002183]; Swiss National Science Foundation
[200020-120007]; US Department of Energy [0089445, DE-AC07-05ID14517]
FX The NSF supported this research with a grant number CHE 0847229 (to
Purdue). We also acknowledge financial support from the Director, Office
of Basic Energy Sciences, U.S. Department of Energy under Contract no.
USDOE/DE-SC002183 (to Minnesota) and the Swiss National Science
Foundation (grant no. 200020-120007). Funding at UNLV was provided by a
subcontract through Battelle 0089445 from the US Department of Energy,
Agreement No. DE-AC07-05ID14517. The authors also thank Mr Tom O'Dou
(UNLV) and Mr James F. Schweitzer (Purdue) for outstanding health
physics support.
NR 21
TC 8
Z9 8
U1 0
U2 4
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 47
BP 11322
EP 11324
DI 10.1039/c0dt00751j
PG 3
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 684HS
UT WOS:000284541600004
PM 21042603
ER
PT J
AU Jee, JE
Pestovsky, O
Bakac, A
AF Jee, Joo-Eun
Pestovsky, Oleg
Bakac, Andreja
TI Preparation and characterization of manganese(IV) in aqueous acetic acid
SO DALTON TRANSACTIONS
LA English
DT Article
ID P-XYLENE; PARAMAGNETIC-SUSCEPTIBILITY; MONONUCLEAR MANGANESE(IV);
OXIDATION; AUTOXIDATION; HYDROCARBONS; KINETICS; BROMIDE; OXYGEN;
PRECIPITATION
AB Mn(IV) acetate was generated in acetic acid solutions and characterized by UV-vis spectroscopy, magnetic susceptibility, and chemical reactivity. All of the data are consistent with a mononuclear manganese(IV) species. Oxidation of several substrates was studied in glacial acetic acid (HOAc) and in 95 : 5 HOAc-H(2)O. The reaction with excess Mn(OAc)(2) produces Mn(OAc)(3) quantitatively with mixed second-order kinetics, k (25.0 degrees C) = 110 +/- 4 M(-1) s(-1) in glacial acetic acid, and 149 +/- 3 M(-1) s(-1) in 95% AcOH, Delta H double dagger = 55.0 +/- 1.2 kJ mol(-1), Delta S double dagger = -18.9 +/- 4.1 J mol(-1) K(-1). Sodium bromide is oxidized to bromine with mixed second order kinetics in glacial acetic acid, k = 220 +/- 3 M(-1) s(-1) at 25 degrees C. In 95% HOAc, saturation kinetics were observed.
C1 [Jee, Joo-Eun; Pestovsky, Oleg; Bakac, Andreja] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
RP Pestovsky, O (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
EM prp@ameslab.gov; bakac@ameslab.gov
FU U.S. Department of Energy-Basic Energy Sciences [DE-AC02-07CH11358]
FX Support for this project from BP Amoco is gratefully acknowledged. The
research was carried out in the facilities of the Ames Laboratory [under
contract number DE-AC02-07CH11358 with the U.S. Department of
Energy-Basic Energy Sciences].
NR 33
TC 7
Z9 7
U1 0
U2 5
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
J9 DALTON T
JI Dalton Trans.
PY 2010
VL 39
IS 48
BP 11636
EP 11642
DI 10.1039/c0dt00476f
PG 7
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA 687KN
UT WOS:000284777500018
PM 21046054
ER
PT B
AU Goldman, T
Stephenson, GJ
Alsing, PM
McKellar, BHJ
AF Goldman, T.
Stephenson, G. J., Jr.
Alsing, P. M.
McKellar, B. H. J.
BE KlapdorKleingrothaus, HV
Krivosheina, IV
TI A POSSIBLE CONNECTION BETWEEN MASSIVE FERMIONS AND DARK ENERGY
SO DARK MATTER IN ASTROPHYSICS AND PARTICLE PHYSICS (DARK 2009)
LA English
DT Proceedings Paper
CT 7th International Heidelberg Conference on Dark Matter in Astrophysics
and Particle Physics (DARK 2009)
CY JAN 18-24, 2009
CL Christchurch, NEW ZEALAND
DE dark energy; dark matter; massive fermions
ID DOUBLE-BETA DECAY; MATTER; RANGE
AB In a dense cloud of massive fermions interacting by exchange of a light scalar field, the effective mass of the fermion can become negligibly small. As the cloud expands, the effective mass and the total energy density eventually increase with decreasing density. In this regime, the pressure-density relation can approximate that required for dark energy. We apply this phenomenon to the expansion of the Universe with a very light scalar field and infer relations between the parameters available and cosmological observations. Majorana neutrinos at a mass that may have been recently determined, and fermions such as the Lightest Supersymmetric Particle (LSP) may both be consistent with current observations of dark energy.
C1 [Goldman, T.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Goldman, T (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM tgoldman@lanl.gov; gjs@phys.unm.edu; alsingpm@hotmail.com;
bhjm@unimelb.edu.au
NR 23
TC 0
Z9 0
U1 0
U2 0
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE
BN 978-981-4293-78-5
PY 2010
BP 180
EP 193
DI 10.1142/9789814293792_0013
PG 14
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA BPD42
UT WOS:000278563100013
ER
PT S
AU Ross, R
Carns, P
Metheny, D
AF Ross, Robert
Carns, Philip
Metheny, David
BE Chan, Y
Talburt, JR
Talley, TM
TI Parallel File Systems
SO DATA ENGINEERING: MINING, INFORMATION AND INTELLIGENCE
SE International Series in Operations Research & Management Science
LA English
DT Article; Book Chapter
C1 [Ross, Robert; Carns, Philip] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA.
[Metheny, David] Acxiom Corp, Conway, AR USA.
RP Ross, R (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
NR 17
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 0884-8289
BN 978-1-4419-0175-0
J9 INT SER OPER RES MAN
PY 2010
VL 132
BP 143
EP 168
DI 10.1007/978-1-4419-0176-7_8
D2 10.1007/978-1-4419-0176-7
PG 26
WC Operations Research & Management Science
SC Operations Research & Management Science
GA BRI75
UT WOS:000282780400008
ER
PT J
AU Pourabbas, E
Shoshani, A
AF Pourabbas, E.
Shoshani, A.
TI Improving estimation accuracy of aggregate queries on data cubes
SO DATA & KNOWLEDGE ENGINEERING
LA English
DT Article; Proceedings Paper
CT 11th ACM International Workshop on Data Warehousing and OLAP held in
Conjunction with 17th Conference on Information and Knowledge Management
CY OCT 30, 2008
CL Napa, CA
DE Query estimation; Entropy; Accuracy analysis
AB In this paper, we investigate the problem of estimation of a target database from summary databases derived from a base data cube. We show that such estimates can be derived by choosing a primary database with the desired target measure but not the desired dimensions, and use a proxy database to estimate the results. This technique is common in statistics, but an important issue we are addressing is the accuracy of these estimates. Specifically, given multiple primary and multiple proxy databases, the problem is how to select the primary and proxy databases that will generate the most accurate target database estimation possible. We propose an algorithmic approach which makes use of the principles of information entropy for determining the steps to select or compute the primary and proxy databases that provide the most accurate target database. We show that the primary database with the largest number of cells in common with the target database and the proxy database provides the more accurate estimates. We prove that this is consistent with maximizing the entropy. We provide some experimental results on the accuracy of the target database estimation in order to verify our results. Furthermore, we investigate the accuracy results in cases where the dimensions are defined over a hierarchy of categories and roll-up and drill-down operations are needed to generate the desired target results. (C) 2009 Elsevier B.V. All rights reserved.
C1 [Pourabbas, E.] Ist Anal Sistemi & Informat Antonio Ruberti, Italian Natl Res Council, I-00185 Rome, Italy.
[Shoshani, A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA.
RP Pourabbas, E (reprint author), Ist Anal Sistemi & Informat Antonio Ruberti, Italian Natl Res Council, Viale Manzoni 30, I-00185 Rome, Italy.
EM pourabbas@iasi.cnr.it
NR 16
TC 2
Z9 2
U1 0
U2 5
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0169-023X
EI 1872-6933
J9 DATA KNOWL ENG
JI Data Knowl. Eng.
PD JAN
PY 2010
VL 69
IS 1
BP 50
EP 72
DI 10.1016/j.datak.2009.08.010
PG 23
WC Computer Science, Artificial Intelligence; Computer Science, Information
Systems
SC Computer Science
GA 537KX
UT WOS:000273112900004
ER
PT S
AU Lemmond, TD
Chen, BY
Hatch, AO
Hanley, WG
AF Lemmond, Tracy D.
Chen, Barry Y.
Hatch, Andrew O.
Hanley, William G.
BE Stahlbock, R
Crone, SF
Lessmann, S
TI An Extended Study of the Discriminant Random Forest
SO DATA MINING: SPECIAL ISSUE IN ANNALS OF INFORMATION SYSTEMS
SE Annals of Information Systems
LA English
DT Article; Book Chapter
AB Classification technologies have become increasingly vital to information analysis systems that rely upon collected data to make predictions or informed decisions. Many approaches have been developed, but one of the most successful in recent times is the random forest. The discriminant random forest is a novel extension of the random forest classification methodology that leverages linear discriminant analysis to perform multivariate node splitting during tree construction. An extended study of the discriminant random forest is presented which shows that its individual classifiers are stronger and more diverse than their random forest counterparts, yielding statistically significant reductions in classification error of up to 79.5%. Moreover, empirical tests suggest that this approach is computationally less costly with respect to both memory and efficiency. Further enhancements of the methodology are investigated that exhibit significant performance improvements and greater stability at low false alarm rates.
C1 [Lemmond, Tracy D.; Chen, Barry Y.; Hatch, Andrew O.; Hanley, William G.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Lemmond, TD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM lemmond1@llnl.gov; chen52@llnl.gov; hatch8@llnl.gov; hanley3@llnl.gov
NR 20
TC 2
Z9 2
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 1934-3221
BN 978-1-4419-1279-4
J9 ANN INFORM SYST
PY 2010
VL 8
BP 123
EP 146
DI 10.1007/978-1-4419-1280-0_6
D2 10.1007/978-1-4419-1280-0
PG 24
WC Business; Computer Science, Artificial Intelligence; Computer Science,
Information Systems; Computer Science, Interdisciplinary Applications;
Information Science & Library Science; Management; Operations Research &
Management Science; Social Sciences, Mathematical Methods
SC Business & Economics; Computer Science; Information Science & Library
Science; Operations Research & Management Science; Mathematical Methods
In Social Sciences
GA BMH69
UT WOS:000272396000006
ER
PT J
AU Karpinets, TV
Romine, MF
Schmoyer, DD
Kora, GH
Syed, MH
Leuze, MR
Serres, MH
Park, BH
Samatova, NF
Uberbacher, EC
AF Karpinets, Tatiana V.
Romine, Margaret F.
Schmoyer, Denise D.
Kora, Guruprasad H.
Syed, Mustafa H.
Leuze, Michael R.
Serres, Margrethe H.
Park, Byung H.
Samatova, Nagiza F.
Uberbacher, Edward C.
TI Shewanella knowledgebase: integration of the experimental data and
computational predictions suggests a biological role for transcription
of intergenic regions
SO DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION
LA English
DT Article
ID MULTIPLE SEQUENCE ALIGNMENT; ONEIDENSIS MR-I; ESCHERICHIA-COLI; SYSTEMS
BIOLOGY; GENOME DATABASE; PATHWAY/GENOME DATABASES; BIOCYC COLLECTION;
PROTEOME ANALYSIS; METACYC DATABASE; PSEUDOMONAS
AB Shewanellae are facultative gamma-proteobacteria whose remarkable respiratory versatility has resulted in interest in their utility for bioremediation of heavy metals and radionuclides and for energy generation in microbial fuel cells. Extensive experimental efforts over the last several years and the availability of 21 sequenced Shewanella genomes made it possible to collect and integrate a wealth of information on the genus into one public resource providing new avenues for making biological discoveries and for developing a system level understanding of the cellular processes. The Shewanella knowledgebase was established in 2005 to provide a framework for integrated genome-based studies on Shewanella ecophysiology. The present version of the knowledgebase provides access to a diverse set of experimental and genomic data along with tools for curation of genome annotations and visualization and integration of genomic data with experimental data. As a demonstration of the utility of this resource, we examined a single microarray data set from Shewanella oneidensis MR-1 for new insights into regulatory processes. The integrated analysis of the data predicted a new type of bacterial transcriptional regulation involving co-transcription of the intergenic region with the downstream gene and suggested a biological role for co-transcription that likely prevents the binding of a regulator of the upstream gene to the regulator binding site located in the intergenic region.
Database URL: http://shewanella-knowledgebase.org:8080/Shewanella/ or http://spruce.ornl.gov:8080/Shewanella/
C1 [Karpinets, Tatiana V.; Syed, Mustafa H.; Uberbacher, Edward C.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Karpinets, Tatiana V.] Univ Tennessee, Dept Plant Sci, Knoxville, TN USA.
[Romine, Margaret F.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
[Romine, Margaret F.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA.
[Schmoyer, Denise D.; Kora, Guruprasad H.; Leuze, Michael R.; Park, Byung H.; Samatova, Nagiza F.] Marine Biol Lab, Ctr Comparat Mol Biol & Evolut, Woods Hole, MA 02543 USA.
RP Karpinets, TV (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
EM karpinetstv@ornl.gov
OI Romine, Margaret/0000-0002-0968-7641
FU Shewanella Federation consortium; Office of Biological and Environmental
Research; US Department of Energy (DOE); Office of Biological and
Environmental Research, U.S. Department of Energy (DOE)
FX Shewanella Federation consortium; Genomic Science Program of the Office
of Biological and Environmental Research; US Department of Energy (DOE).
Funding for open access charge: Office of Biological and Environmental
Research, U.S. Department of Energy (DOE).
NR 61
TC 4
Z9 4
U1 0
U2 10
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 1758-0463
J9 DATABASE-OXFORD
JI Database
PY 2010
AR baq012
DI 10.1093/database/baq012
PG 13
WC Mathematical & Computational Biology
SC Mathematical & Computational Biology
GA V21ER
UT WOS:000208191400015
ER
PT B
AU Tait, TMP
AF Tait, Tim M. P.
BE Han, T
TI Collider Signal I : Resonance
SO DAWN OF THE LHC ERA, TASI 2008
LA English
DT Proceedings Paper
CT Conference of the Theoretical-Advanced-Study-Institute in Elementary
Particle Physics
CY JUN 02-27, 2008
CL Boulder, CO
ID TOPCOLOR-ASSISTED TECHNICOLOR; TOP-QUARK; SYMMETRY-BREAKING; STANDARD
MODEL; CONDENSATION
AB These TASI lectures were part of the summer school in 2008 and cover the collider signal associated with resonances in models of physics beyond the Standard Model. I begin with a review of the Z boson, one of the best-studied resonances in particle physics, and review how the Breit-Wigner form of the propagator emerges in perturbation theory and discuss the narrow width approximation. I review how the LEP and SLAC experiments could use the kinematics of Z events to learn about fermion couplings to the Z. I then make a brief survey of models of physics beyond the Standard Model which predict resonances, and discuss some of the LHC observables which we can use to discover and identify the nature of the BSM physics. I finish up with a discussion of the linear moose that one can use for an effective theory description of a massive color octet vector particle.
C1 [Tait, Tim M. P.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Tait, Tim M. P.] Northwestern Univ, Evanston, IL 60208 USA.
RP Tait, TMP (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM tait@northwestern.edu
NR 47
TC 0
Z9 0
U1 0
U2 0
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE
BN 978-981-283-835-3
PY 2010
BP 181
EP 210
DI 10.1142/9789812838360_0004
PG 30
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA BH0AJ
UT WOS:000394471000004
ER
PT B
AU Dobrescu, BA
AF Dobrescu, Bogdan A.
BE Han, T
TI Particle Physics in Extra Dimensions
SO DAWN OF THE LHC ERA, TASI 2008
LA English
DT Proceedings Paper
CT Conference of the Theoretical-Advanced-Study-Institute in Elementary
Particle Physics
CY JUN 02-27, 2008
CL Boulder, CO
ID BULK FIELDS; DARK-MATTER; HIERARCHY; PHENOMENOLOGY; MODEL
AB Any extra-dimensional field theory is equivalent to a 4-dimensional one that includes a series of heavy particles. The spectrum and interactions of these 'KK particles' depend on the boundary conditions and metric. If all fields propagate in a compact dimension with flat metric (referred to as a universal extra dimension), then the KK masses may be below the TeV scale, the lightest KK particle is a dark matter candidate, and the collider signals include cascade decays involving leptons, jets and missing energy, as well as narrow resonances. If the metric is warped, then the hierarchy between the electroweak and Plank scales is natural, while the collider signals involve heavy resonances. Field theories in extra dimensions are strongly coupled in the ultraviolet, so that their study could shed light on nonperturbative phenomena, with possible applications to dynamical electroweak symmetry breaking and compositeness.
C1 [Dobrescu, Bogdan A.] Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA.
RP Dobrescu, BA (reprint author), Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA.
NR 41
TC 0
Z9 0
U1 0
U2 0
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE
BN 978-981-283-835-3
PY 2010
BP 495
EP 523
DI 10.1142/9789812838360_0010
PG 29
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA BH0AJ
UT WOS:000394471000010
ER
PT S
AU Sakamoto, T
Barthelmy, S
Baumgartner, W
Cummings, J
Fenimore, E
Gehrels, N
Krimm, H
Markwardt, C
Palmer, D
Parsons, A
Sato, G
Stamatikos, M
Tueller, J
Ukwatta, T
AF Sakamoto, T.
Barthelmy, S.
Baumgartner, W.
Cummings, J.
Fenimore, E.
Gehrels, N.
Krimm, H.
Markwardt, C.
Palmer, D.
Parsons, A.
Sato, G.
Stamatikos, M.
Tueller, J.
Ukwatta, T.
BE Kawai, N
Nagataki, S
TI BAT2 GRB Catalog - Prompt Emission Properties of Swift GRBs
SO DECIPHERING THE ANCIENT UNIVERSE WITH GAMMA-RAY BURSTS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT International Symposium Deciphering the Ancient Universe with Gamma-Ray
Bursts
CY APR 19-23, 2010
CL Kyoto, JAPAN
SP Minist Educ Culture Sports Sci & Technol, Japan Soc Promotion Sci (JSPS), Kyoto Univ
DE gamma ray: bursts
ID GAMMA-RAY BURSTS; ALERT TELESCOPE; MISSION; FLASHES
AB We present the second Swift Burst Alert Telescope (BAT) catalog of gamma-ray bursts (GRBs), which contains 476 bursts detected by the BAT between 2004 December 19 and 2009 December 21. This catalog presents burst trigger time, location, 90% error radius, duration, fluence, peak flux, time-averaged spectral parameters and time-resolved spectral parameters measured by the BAT. The BAT T-90 duration peaks at 70 s. We confirm that the spectra of the BAT short-duration GRBs are generally harder than those of the long-duration GRBs. The observed durations of the BAT high redshift GRBs are not systematically longer than those of the moderate redshift GRBs. Furthermore, the observed spectra of the BAT high redshift GRBs are similar to or harder than the moderate redshift GRBs.
C1 [Sakamoto, T.; Baumgartner, W.; Cummings, J.; Krimm, H.; Markwardt, C.] CRESST, Greenbelt, MD 20771 USA.
[Sakamoto, T.; Baumgartner, W.; Cummings, J.] Univ Maryland, Ctr Space Sci & Technol, Baltimore, MD 21250 USA.
[Sakamoto, T.; Barthelmy, S.; Baumgartner, W.; Gehrels, N.; Markwardt, C.; Parsons, A.; Tueller, J.] NASA, Goddard Space Flight Ctr, Code 661, Greenbelt, MD 20771 USA.
[Fenimore, E.; Palmer, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Krimm, H.] Univ Space Res Associat, Columbia, MD 21044 USA.
[Markwardt, C.] Univ Maryland, Dept Astron, College Pk, MD 20742 USA.
[Sato, G.] JAXA Kanagawa, Inst Space & Astronut, Sagamihara, Kanagawa 2298510, Japan.
[Stamatikos, M.] Ohio State Univ, Ctr Conmol & Astro Particle Phys, Dept Phys, Columbus, OH 43210 USA.
[Ukwatta, T.] George Washington Univ, Ctr Nuclear Studies, Dept Phys, Washington, DC 20052 USA.
RP Sakamoto, T (reprint author), CRESST, Greenbelt, MD 20771 USA.
RI Barthelmy, Scott/D-2943-2012; Gehrels, Neil/D-2971-2012; Tueller,
Jack/D-5334-2012; Parsons, Ann/I-6604-2012
NR 12
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-0829-6
J9 AIP CONF PROC
PY 2010
VL 1279
BP 20
EP +
DI 10.1063/1.3509266
PG 2
WC Astronomy & Astrophysics; Physics, Mathematical
SC Astronomy & Astrophysics; Physics
GA BTJ80
UT WOS:000287125000004
ER
PT S
AU Whalen, DJ
Fryer, C
AF Whalen, Daniel J.
Fryer, Chris
BE Kawai, N
Nagataki, S
TI The Observational Signatures of Primordial Pair-Instability Supernovae
SO DECIPHERING THE ANCIENT UNIVERSE WITH GAMMA-RAY BURSTS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT International Symposium Deciphering the Ancient Universe with Gamma-Ray
Bursts
CY APR 19-23, 2010
CL Kyoto, JAPAN
SP Minist Educ Culture Sports Sci & Technol, Japan Soc Promotion Sci (JSPS), Kyoto Univ
AB Massive Population III stars from 140 - 260 M-circle dot ended their lives as pair-instability supernovae (PISNe), the most energetic thermonuclear explosions in the universe. Detection of these explosions could directly constrain the primordial IMF for the first time, which is key to the formation of the first galaxies, early cosmological reionization, and the chemical enrichment of the primeval IGM. We present radiation hydrodynamical calculations of Pop III PISN light curves and spectra performed with the RAGE code. We find that the initial radiation pulse due to shock breakout from the surface of the star, although attenuated by the Lyman-alpha forest, will still be visible by JWST at z similar to 10 - 15, and possibly out to z similar to 20 with strong gravitational lensing. We have also studied metal mixing at early stages of the explosion prior to breakout from the surface of the star with the CASTRO AMR code and find vigorous mixing in primordial core-collapse explosions but very little in PISNe. This implies that the key to determining progenitor masses of the first cosmic explosions is early spectroscopy just after shock breakout, and that multidimensional mixing is crucial to accurate low-mass Pop III SNe light curves and spectra.
C1 [Whalen, Daniel J.] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA.
[Fryer, Chris] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Whalen, DJ (reprint author), Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA.
FU U.S. Department of Energy at Los Alamos National Laboratory
[DE-AC52-06NA25396]; McWilliams Fellowship at the Bruce and Astrid
McWilliams Center for Cosmology at Carnegie Mellon University
FX This work was carried out in part under the auspices of the National
Nuclear Security Administration of the U.S. Department of Energy at Los
Alamos National Laboratory supported by Contract No. DE-AC52-06NA25396.
DW acknowledges support by the McWilliams Fellowship at the Bruce and
Astrid McWilliams Center for Cosmology at Carnegie Mellon University.
NR 5
TC 4
Z9 4
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-0829-6
J9 AIP CONF PROC
PY 2010
VL 1279
BP 116
EP +
DI 10.1063/1.3509246
PG 2
WC Astronomy & Astrophysics; Physics, Mathematical
SC Astronomy & Astrophysics; Physics
GA BTJ80
UT WOS:000287125000020
ER
PT S
AU Panaitescu, A
AF Panaitescu, A.
BE Kawai, N
Nagataki, S
TI Afterglow Physics
SO DECIPHERING THE ANCIENT UNIVERSE WITH GAMMA-RAY BURSTS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT International Symposium Deciphering the Ancient Universe with Gamma-Ray
Bursts
CY APR 19-23, 2010
CL Kyoto, JAPAN
SP Minist Educ Culture Sports Sci & Technol, Japan Soc Promotion Sci, Kyoto Univ
ID RAY BURST AFTERGLOWS; LIGHT CURVES; SHOCK; EMISSION; JETS; MODEL
AB I review the development of the relativistic blast-wave model for GRB afterglows, in which the delayed emission is synchrotron and, possibly, inverse Compton from electrons accelerated by the forward shock that energizes the burst ambient medium or the reverse shock that crosses the incoming ejecta. This model is tested and its features constrained using afterglow observations at radio, optical, X-ray, and GeV photon energies. Modeling of the afterglow broadband emission allows the determination of the outflow's physical parameters, such as collimation and energetics, circum-burst medium density, its radial stratification, and of forward-shock microphysical parameters. The slowly-decaying radio afterglows (weeks after trigger) and the fast-decaying early optical afterglows (up to 1 ks) provide evidence for a temporary contribution from the reverse-shock. The chromatic X-ray light-curve breaks and the afterglows with well-coupled optical and X-ray light-curves and chromatic breaks suggest the existence of an outflow inner to the blast-wave, which bulk-scatters the forward-shock emission and injects energy into it.
C1 Los Alamos Natl Lab, ISR 1, Los Alamos, NM 87545 USA.
RP Panaitescu, A (reprint author), Los Alamos Natl Lab, ISR 1, POB 1663, Los Alamos, NM 87545 USA.
NR 24
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-0829-6
J9 AIP CONF PROC
PY 2010
VL 1279
BP 156
EP 162
DI 10.1063/1.3509255
PG 7
WC Astronomy & Astrophysics; Physics, Mathematical
SC Astronomy & Astrophysics; Physics
GA BTJ80
UT WOS:000287125000028
ER
PT S
AU Grossan, B
AF Grossan, Bruce
CA UFFO Team
BE Kawai, N
Nagataki, S
TI Science Opportunities with Ultra-Fast Optical GRB Response
SO DECIPHERING THE ANCIENT UNIVERSE WITH GAMMA-RAY BURSTS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT International Symposium Deciphering the Ancient Universe with Gamma-Ray
Bursts
CY APR 19-23, 2010
CL Kyoto, JAPAN
SP Minist Educ Culture Sports Sci & Technol, Japan Soc Promotion Sci, Kyoto Univ
DE gamma-ray bursts
AB Gamma-ray burst (GRB) studies were forever changed when optical transient measurements similar to 10's of minutes after bursts made identification of the burst origin possible. More recent instruments have brought the response time down to similar to 1 minute, making possible detailed studies of this phenomenon. The Ultra-Fast Flash Observatory (UFFO) aims to cut this response time to similar to 10 milliseconds after the burst position is known. While SWIFT UV-optical light curves revealed complexity in decay, observations of the rise phase have been less systematically explored, leaving a new and likely rich field of inquiry unexplored. I discuss the practical aspects of such measurements, their scientific motivations, and how this line of inquiry will contribute to progress understanding GRB and their use as cosmological tools.
C1 [Grossan, Bruce] Lawrence Berkeley Natl Lab 50R 5005, Berkeley, CA 94720 USA.
RP Grossan, B (reprint author), Lawrence Berkeley Natl Lab 50R 5005, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-0829-6
J9 AIP CONF PROC
PY 2010
VL 1279
BP 346
EP 348
DI 10.1063/1.3509306
PG 3
WC Astronomy & Astrophysics; Physics, Mathematical
SC Astronomy & Astrophysics; Physics
GA BTJ80
UT WOS:000287125000073
ER
PT S
AU Heath, JT
Jiang, CS
Moutinho, HR
Al-Jassim, MM
AF Heath, Jennifer T.
Jiang, Chun-Sheng
Moutinho, Helio R.
Al-Jassim, Mowafak M.
BE Friedman, D
Stavola, M
Walukiewicz, W
Zhang, S
TI Investigation of charge trapping at grain boundaries in polycrystalline
and multicrystalline silicon solar cells
SO DEFECTS IN INORGANIC PHOTOVOLTAIC MATERIALS
SE Materials Research Society Symposium Proceedings
LA English
DT Proceedings Paper
CT Symposium EE on Defects in Inorganic Photovoltaic Materials held at the
MRS Spring Meeting
CY APR 05-09, 2010
CL San Francisco, CA
SP Mat Res Soc
ID SCANNING CAPACITANCE MICROSCOPY
AB Scanning capacitance microscopy (SCM) often shows a change in contrast at grain boundaries [1-3]. The origins of this contrast and the efficacy of SCM as a tool to identify band bending at grain boundaries in pc-Si and mc-Si are discussed. Contrast at these grain boundaries could be influenced by different oxide growth rates or by defect states at the oxide interface. In order to determine the influence of such mechanisms on the SCM signal, such effects must be modeled; we show that a simple one-dimensional model agrees well with more detailed models of SCM signal strength and indicates, for example, that very small changes in oxide thickness measurably affect the SCM signal. In our experimental data, the uniformity and quality of the oxide layer are confirmed, and increased contrast consistent with depletion regions is still observed at higher order grain boundaries as identified by electron backscattering diffraction, including Sigma 9 and Sigma 27a. Scans of the SCM signal as a function of dc probe voltage allow such regions to be more quantitatively investigated.
C1 [Heath, Jennifer T.] Linfield Coll, Dept Phys, Mcminnville, OR 97128 USA.
[Heath, Jennifer T.; Jiang, Chun-Sheng; Moutinho, Helio R.; Al-Jassim, Mowafak M.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Heath, JT (reprint author), Linfield Coll, Dept Phys, Mcminnville, OR 97128 USA.
FU American Chemical Society Petroleum Research; U.S. Department of Energy
with the National Renewable Energy Laboratory [DOE-AC36-08GO28308]
FX Acknowledgement is made to the Donors of the American Chemical Society
Petroleum Research Fund for partial support of this research. Support
was also provided by the U.S. Department of Energy under Contract No.
DOE-AC36-08GO28308 with the National Renewable Energy Laboratory.
NR 19
TC 0
Z9 0
U1 0
U2 0
PU MATERIALS RESEARCH SOC
PI WARRENDALE
PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA
SN 0272-9172
BN 978-1-107-40671-1; 978-1-605-11245-9
J9 MATER RES SOC SYMP P
PY 2010
VL 1268
BP 24
EP 29
DI 10.1557/PROC-1268-EE07-10
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA BH0JA
UT WOS:000395267700004
ER
PT S
AU Simon, J
Tomasulo, S
Simmonds, P
Romero, M
Lee, ML
AF Simon, John
Tomasulo, Stephanie
Simmonds, Paul
Romero, Manuel
Lee, Minjoo L.
BE Friedman, D
Stavola, M
Walukiewicz, W
Zhang, S
TI Growth of Metamorphic InGaP for Wide-Bandgap Photovoltaic Junction by
MBE
SO DEFECTS IN INORGANIC PHOTOVOLTAIC MATERIALS
SE Materials Research Society Symposium Proceedings
LA English
DT Proceedings Paper
CT Symposium EE on Defects in Inorganic Photovoltaic Materials held at the
MRS Spring Meeting
CY APR 05-09, 2010
CL San Francisco, CA
SP Mat Res Soc
ID MOLECULAR-BEAM EPITAXY; SOLAR-CELLS; ANTIMONY; GAAS; SURFACTANT; SB
AB Metamorphic triple-junction solar cells can currently attain efficiencies as high as 41.1%. Using additional junctions could lead to efficiencies above 50%, but require the development of a wide bandgap (2.0-2.2eV) material to act as the top layer. In this work we demonstrate wide bandgap InyGa1-yP grown on GaAsxP1-x via solid source molecular beam epitaxy. Unoptimized tensile GaAsxP1-x buffers grown on GaAs exhibit asymmetric strain relaxation, along with formation of faceted trenches 100-300 nm deep in the [01-1] direction. Smaller grading step size and higher substrate temperatures minimizes the facet trench density and results in symmetric strain relaxation. In comparison, compressively-strained graded GaAsxP1-x buffers on GaP show nearly-complete strain relaxation of the top layers and no evidence of trenches. We subsequently grew InyGa1-yP layers on the GaAsxP1-x buffers. Photoluminescence and transmission electron microscopy measurements show no indication of phase separation or CuPt ordering. Taken in combination with the low threading dislocation densities obtained, MBE-grown InyGa1-yP layers are promising candidates for future use as the top junction of a multi-junction solar cell.
C1 [Simon, John; Tomasulo, Stephanie; Simmonds, Paul; Lee, Minjoo L.] Yale Univ, Dept Elect Engn, 15 Prospect St, New Haven, CT 06511 USA.
[Romero, Manuel] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Simon, J (reprint author), Yale Univ, Dept Elect Engn, 15 Prospect St, New Haven, CT 06511 USA.
NR 17
TC 0
Z9 0
U1 0
U2 0
PU MATERIALS RESEARCH SOC
PI WARRENDALE
PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA
SN 0272-9172
BN 978-1-107-40671-1; 978-1-605-11245-9
J9 MATER RES SOC SYMP P
PY 2010
VL 1268
BP 51
EP 56
DI 10.1557/PROC-1268-EE06-04
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA BH0JA
UT WOS:000395267700008
ER
PT S
AU Du, MH
AF Du, Mao-Hua
BE Friedman, D
Stavola, M
Walukiewicz, W
Zhang, S
TI First-Principles Study of Back Contact Effects on CdTe Thin Film Solar
Cells
SO DEFECTS IN INORGANIC PHOTOVOLTAIC MATERIALS
SE Materials Research Society Symposium Proceedings
LA English
DT Proceedings Paper
CT Symposium EE on Defects in Inorganic Photovoltaic Materials held at the
MRS Spring Meeting
CY APR 05-09, 2010
CL San Francisco, CA
SP Mat Res Soc
ID STABILITY
AB Forming a chemically stable low-resistance back contact for CdTe thin film solar cells is critically important to the cell performance. This paper reports theoretical study of the effects of the back contact material, Sb2Te3, on the performance of the CdTe solar cells. First-principles calculations show that Sb impurities in p-type CdTe are donors and can diffuse with low diffusion barrier. There properties are clearly detrimental to the solar cell performance. The Sb segregation into the grain boundaries may be required to explain the good efficiencies for the CdTe solar cells with Sb2Te3 back contacts.
C1 [Du, Mao-Hua] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Du, MH (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
FU U.S. DOE ORNL LDRD program
FX This work was supported by the U.S. DOE ORNL LDRD program.
NR 25
TC 0
Z9 0
U1 0
U2 0
PU MATERIALS RESEARCH SOC
PI WARRENDALE
PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA
SN 0272-9172
BN 978-1-107-40671-1; 978-1-605-11245-9
J9 MATER RES SOC SYMP P
PY 2010
VL 1268
BP 71
EP 76
DI 10.1557/PROC-1268-EE02-04
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA BH0JA
UT WOS:000395267700010
ER
PT J
AU Higgin, R
Howe, KJ
Mayer, TM
AF Higgin, Roslyn
Howe, Kerry J.
Mayer, Thomas M.
TI Synergistic behavior between silica and alginate: Novel approach for
removing silica scale from RO membranes
SO DESALINATION
LA English
DT Article
DE Reverse osmosis; Synergistic fouling; Silica; Biofouling; Alginate
ID BIOFILMS; INHIBITION; SYSTEMS
AB The formation of mineral scale deposits on membranes is a pervasive and expensive problem for the water treatment industry. A series of experiments run on a laboratory-scale reverse osmosis membrane system examined the fouling of membranes when the feed water was spiked with organic and inorganic foulants. Alginic acid was used as the organic foulant and silica was used as the inorganic foulant. Studies involving interactions of these two foulants have not previously been reported in literature. Experiments were run with each foulant individually to characterize fouling at different velocities and pressures. Experiments were then run using both foulants together to characterize the synergistic effects on membrane fouling. One set of experiments with both foulants demonstrated that alginic acid inhibits silica fouling on reverse osmosis membranes. Further experiments indicated that alginic acid added after silica fouling had already occurred was able to remove silica scale from the membrane and restore permeate flux. (C) 2009 Elsevier B.V. All rights reserved.
C1 [Howe, Kerry J.] Univ New Mexico, Dept Civil Engn, Albuquerque, NM 87131 USA.
[Mayer, Thomas M.] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Howe, KJ (reprint author), Univ New Mexico, Dept Civil Engn, MSC01 1070, Albuquerque, NM 87131 USA.
EM rhiggin@unm.edu; howe@unm.edu; tmmayer@unm.edu
RI Howe, Kerry/B-3355-2009
FU United States Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX Sandia National Laboratories 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 22
TC 10
Z9 11
U1 6
U2 13
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0011-9164
J9 DESALINATION
JI Desalination
PD JAN 1
PY 2010
VL 250
IS 1
BP 76
EP 81
DI 10.1016/j.desal.2009.01.042
PG 6
WC Engineering, Chemical; Water Resources
SC Engineering; Water Resources
GA 533NK
UT WOS:000272830600012
ER
PT B
AU Broadbelt, LJ
Henry, CS
Hatzimanikatis, V
AF Broadbelt, Linda J.
Henry, Christopher S.
Hatzimanikatis, Vassily
BE ElHalwagi, MM
Linninger, AA
TI Discovery of Novel Routes for the Production of Fuels and Chemicals
SO DESIGN FOR ENERGY AND THE ENVIRONMENT
LA English
DT Proceedings Paper
CT 7th International Conference on the Foundations of Computer-Aided
Process Design (FOCAPD)
CY JUN 07-12, 2009
CL Breckenridge, CO
SP Natl Sci Fdn, ASPEN Technol, Eastman Chemical Co, Taylor & Francis Grp LLC
DE Computer generated reaction networks; generalized enzyme function; novel
biotransformation; gibbs free energy of reaction; thermodynamic analysis
ID ENZYME-CATALYZED REACTIONS; STANDARD TRANSFORMED ENTROPIES; GIBBS
FREE-ENERGIES; THERMODYNAMICS; BIOCHEMISTRY
AB We have developed a computational framework that offers a new paradigm for the discovery of known and novel compounds and reactions in biochemical systems. The approach is built on the concept of generalized enzyme function and utilizes the methods of automated network generation based on graph theory. The number of pathways and compounds that can be generated can be staggering. Thus, we have begun to implement methods to identify the most promising novel pathways that can be implemented practically, including pathway length, degree of novelty, and thermodynamic landscape. The guiding principles are applicable to a wide range of different targets for biochemical production, including fuels, chemicals and pharmaceuticals.
C1 [Broadbelt, Linda J.] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA.
[Henry, Christopher S.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Hatzimanikatis, Vassily] Ecole Polytech Fed Lausanne, Lausanne, Switzerland.
RP Broadbelt, LJ (reprint author), Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA.
FU US Department of Energy, Genomes to Life Program; DuPont Young
Professor's gran; NSF IGERT Complex Systems Fellowship
FX The work is supported by the US Department of Energy, Genomes to Life
Program, the DuPont Young Professor's grant (VH), and an NSF IGERT
Complex Systems Fellowship (CSH).
NR 19
TC 0
Z9 0
U1 0
U2 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4398-0913-6; 978-1-4398-0912-9
PY 2010
BP 141
EP 148
PG 8
WC Energy & Fuels; Engineering, Chemical
SC Energy & Fuels; Engineering
GA BG7YJ
UT WOS:000392017300010
ER
PT B
AU Zitney, SE
AF Zitney, Stephen E.
BE ElHalwagi, MM
Linninger, AA
TI Advanced Co-Simulation for Computer-Aided Process Design and
Optimization of Fossil Energy Systems with Carbon Capture
SO DESIGN FOR ENERGY AND THE ENVIRONMENT
LA English
DT Proceedings Paper
CT 7th International Conference on the Foundations of Computer-Aided
Process Design (FOCAPD)
CY JUN 07-12, 2009
CL Breckenridge, CO
SP Natl Sci Fdn, ASPEN Technol, Eastman Chemical Co, Taylor & Francis Grp LLC
DE Process simulation; computational fluid dynamics; co-simulation; virtual
engineering; fossil energy
ID COMPUTATIONAL FLUID-DYNAMICS; FRAMEWORK; CFD
AB In this paper, we describe recent progress toward developing an Advanced Process Engineering Co-Simulator (APECS) for use in computer-aided design and optimization of fossil energy systems with carbon capture. The APECS system combines process simulation with multiphysics-based equipment simulations, such as those based on computational fluid dynamics. These co-simulation capabilities enable design engineers to optimize overall process performance with respect to complex thermal and fluid flow phenomena arising in key plant equipment items. This paper also highlights ongoing co-simulation R&D activities in areas such as reduced order modeling, knowledge management, stochastic analysis and optimization, and virtual plant co-simulation. Continued progress in co-simulation technology-through improved integration, solution, deployment, and analysis - will have profound positive impacts on the design and optimization of high-efficiency, near-zero emission fossil energy systems.
C1 [Zitney, Stephen E.] US DOE, Collab Proc & Dynam Syst Res, Natl Energy Technol Lab, Morgantown, WV 26507 USA.
RP Zitney, SE (reprint author), US DOE, Collab Proc & Dynam Syst Res, Natl Energy Technol Lab, Morgantown, WV 26507 USA.
NR 56
TC 0
Z9 0
U1 0
U2 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4398-0913-6; 978-1-4398-0912-9
PY 2010
BP 185
EP 201
PG 17
WC Energy & Fuels; Engineering, Chemical
SC Energy & Fuels; Engineering
GA BG7YJ
UT WOS:000392017300013
ER
PT B
AU Henao, CA
Maravelias, CT
Miller, JE
Kemp, RA
AF Henao, Carlos A.
Maravelias, Christos T.
Miller, James E.
Kemp, Richard A.
BE ElHalwagi, MM
Linninger, AA
TI Synthetic Production of Methanol Using Solar Power
SO DESIGN FOR ENERGY AND THE ENVIRONMENT
LA English
DT Proceedings Paper
CT 7th International Conference on the Foundations of Computer-Aided
Process Design (FOCAPD)
CY JUN 07-12, 2009
CL Breckenridge, CO
SP Natl Sci Fdn, ASPEN Technol, Eastman Chemical Co, Taylor & Francis Grp LLC
DE Renewable energy; methanol production; process synthesis and evaluation
ID ENERGY
AB Energy security and global climate change are two intertwined problems that demand attention. The vision for the "hydrogen economy" is a proposed solution that is based on the application of sustainable energy sources to split water. However, many technical and infrastructure challenges remain for hydrogen that do not exist for hydrocarbon fuels. Integrating CO2 capture and conversion into liquid fuels produces a new vision that promises the benefits of hydrogen while preserving many of the advantages of the hydrocarbon economy. In this paper, we study the production of methanol from H-2/CO2 and H2O/CO mixtures. We present two alternative processes which are based on the combined action of two reversible reactions: water gas shift (WGS) and methanol synthesis (MS) on a Cu/ZnO/AlO3 catalyst. Detailed flowsheet simulations and economic evaluations under multiple scenarios indicate that both processes can be economically feasible in the near future, while having energy efficiencies which are significantly better than their biological counterpart. Finally, the conversion and energy efficiency of both processes are better than previously proposed designs such as the so called CAMERE process.
C1 [Henao, Carlos A.; Maravelias, Christos T.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA.
[Miller, James E.; Kemp, Richard A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA.
RP Maravelias, CT (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA.
FU Laboratory Directed Research and Development program at Sandia National
Laboratories [113486]; United States Department of Energ
[DE-AC04-94AL85000]
FX The authors would like to acknowledge financial support provided by the
Laboratory Directed Research and Development program (LDRD grant 113486)
at Sandia National Laboratories. Sandia is a multiprogram laboratory
operated by Sandia Corporation, a Lockheed Martin Company, for the
United States Department of Energy under Contract No. DE-AC04-94AL85000.
NR 8
TC 0
Z9 0
U1 0
U2 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4398-0913-6; 978-1-4398-0912-9
PY 2010
BP 469
EP 477
PG 9
WC Energy & Fuels; Engineering, Chemical
SC Energy & Fuels; Engineering
GA BG7YJ
UT WOS:000392017300043
ER
PT B
AU Samudra, A
Sahinidis, NV
AF Samudra, Apurva
Sahinidis, Nikolaos V.
BE ElHalwagi, MM
Linninger, AA
TI Design of Secondary Refrigerants: A Combined Optimization-Enumeration
Approach
SO DESIGN FOR ENERGY AND THE ENVIRONMENT
LA English
DT Proceedings Paper
CT 7th International Conference on the Foundations of Computer-Aided
Process Design (FOCAPD)
CY JUN 07-12, 2009
CL Breckenridge, CO
SP Natl Sci Fdn, ASPEN Technol, Eastman Chemical Co, Taylor & Francis Grp LLC
DE Computer aided molecular design; secondary refrigerants; property
prediction model
ID PURE COMPONENT PROPERTIES
AB Computer-aided molecular design has emerged as a powerful technique to identify promising compounds that meet the predefined property targets. These techniques have been employed in various areas, including the design of solvents, refrigerants, and polymers.
This paper presents a mixed-integer non-linear program (MINLP) for designing a secondary refrigerant. Secondary refrigeration loops have recently been recognized as a potential solution to reduce the environmental impact of retail food refrigeration. The MINLP model adopted here includes a property prediction model (Nanda, 2001) coupled with molecular structure feasibility constraints (Sahinidis et al., 2003). A large number of basic building groups are considered and no limits on the type of the molecule are imposed. To cope with the numerical challenges associated with nonlinearities of this model, a direct enumeration of the search space is used to solve the model for restricted molecular sizes, while a branch-and-bound algorithm is used for larger designs. Several novel solutions are obtained and analyzed in detail. We also explore the possibility of using accurate property models (Marrero and Gani, 2001) for different applications. The use of higher order property estimation, which is structure dependent, is also investigated.
C1 [Samudra, Apurva; Sahinidis, Nikolaos V.] Carnegie Mellon Univ, Dept Chem Engn, Natl Energy Technol Lab, Pittsburgh, PA 15213 USA.
RP Sahinidis, NV (reprint author), Carnegie Mellon Univ, Dept Chem Engn, Natl Energy Technol Lab, Pittsburgh, PA 15213 USA.
NR 8
TC 0
Z9 0
U1 0
U2 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4398-0913-6; 978-1-4398-0912-9
PY 2010
BP 879
EP 886
PG 8
WC Energy & Fuels; Engineering, Chemical
SC Energy & Fuels; Engineering
GA BG7YJ
UT WOS:000392017300085
ER
PT S
AU Doll, WE
Bell, DT
Gamey, TJ
Beard, LP
Sheehan, JR
Norton, J
AF Doll, William E.
Bell, David T.
Gamey, T. Jeffrey
Beard, Les P.
Sheehan, Jacob R.
Norton, Jeannemarie
BE Harmon, RS
Holloway, KH
Broach, JT
TI Performance Metrics for State-of-the-Art Airborne Magnetic and
Electromagnetic Systems for Mapping and Detection of Unexploded Ordnance
SO DETECTION AND SENSING OF MINES, EXPLOSIVE OBJECTS, AND OBSCURED TARGETS
XV
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Detection and Sensing of Mines, Explosive Objects, and
Obscured Targets XV
CY APR 05-09, 2010
CL Orlando, FL
SP SPIE
DE airborne; electromagnetic; geophysics; detection; unexploded ordnance;
UXO; magnetic; wide-area assessment
AB Over the past decade, notable progress has been made in the performance of airborne geophysical systems for mapping and detection of unexploded ordnance in terrestrial and shallow marine environments. For magnetometer systems, the most significant improvements include development of denser magnetometer arrays and vertical gradiometer configurations. In prototype analyses and recent Environmental Security Technology Certification Program (ESTCP) assessments using new production systems the greatest sensitivity has been achieved with a vertical gradiometer configuration, despite model-based survey design results which suggest that dense total-field arrays would be superior.
As effective as magnetometer systems have proven to be at many sites, they are inadequate at sites where basalts and other ferrous geologic formations or soils produce anomalies that approach or exceed those of target ordnance items. Additionally, magnetometer systems are ineffective where detection of non-ferrous ordnance items is of primary concern. Recent completion of the Battelle TEM-8 airborne time-domain electromagnetic system represents the culmination of nearly nine years of assessment and development of airborne electromagnetic systems for UXO mapping and detection. A recent ESTCP demonstration of this system in New Mexico showed that it was able to detect 99% of blind-seeded ordnance items, 81mm and larger, and that it could be used to map in detail a bombing target on a basalt flow where previous airborne magnetometer surveys had failed. The probability of detection for the TEM-8 in the blind-seeded study area was better than that reported for a dense-array total-field magnetometer demonstration of the same blind-seeded site, and the TEM-8 system successfully detected these items with less than half as many anomaly picks as the dense-array total-field magnetometer system.
Overall, improvements in airborne geophysical systems over the past ten years have led to the capability of detecting smaller ordnance with fewer false positives. These trends should continue as more technological advances are made.
C1 [Doll, William E.; Bell, David T.; Gamey, T. Jeffrey; Beard, Les P.; Sheehan, Jacob R.; Norton, Jeannemarie] Battelle Oak Ridge Operat, Oak Ridge, TN 37830 USA.
RP Doll, WE (reprint author), Battelle Oak Ridge Operat, 105 Mitchell Rd,Ste 103, Oak Ridge, TN 37830 USA.
NR 12
TC 0
Z9 0
U1 2
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-8128-3
J9 PROC SPIE
PY 2010
VL 7664
AR 76640V
DI 10.1117/12.849748
PG 10
WC Remote Sensing; Optics
SC Remote Sensing; Optics
GA BSR48
UT WOS:000285543100024
ER
PT S
AU Few, D
Versteeg, R
Herman, H
AF Few, Doug
Versteeg, Roelof
Herman, Herman
BE Harmon, RS
Holloway, KH
Broach, JT
TI Semi autonomous mine detection system
SO DETECTION AND SENSING OF MINES, EXPLOSIVE OBJECTS, AND OBSCURED TARGETS
XV
SE Proceedings of SPIE-The International Society for Optical Engineering
LA English
DT Proceedings Paper
CT Conference on Detection and Sensing of Mines, Explosive Objects, and
Obscured Targets XV
CY APR 05-09, 2010
CL Orlando, FL
SP SPIE
DE Countermine; robotics; real-time; data processing
AB CMMAD is a risk reduction effort for the AMDS program. As part of CMMAD, multiple instances of semi autonomous robotic mine detection systems were created. Each instance consists of a robotic vehicle equipped with sensors required for navigation and marking, countermine sensors and a number of integrated software packages which provide for real time processing of the countermine sensor data as well as integrated control of the robotic vehicle, the sensor actuator and the sensor. These systems were used to investigate critical interest functions (CIF) related to countermine robotic systems. To address the autonomy CIF, the INL developed RIK was extended to allow for interaction with a mine sensor processing code (MSPC). In limited field testing this system performed well in detecting, marking and avoiding both AT and AP mines. Based on the results of the CMMAD investigation we conclude that autonomous robotic mine detection is feasible. In addition, CMMAD contributed critical technical advances with regard to sensing, data processing and sensor manipulation, which will advance the performance of future fieldable systems. As a result, no substantial technical barriers exist which preclude - from an autonomous robotic perspective - the rapid development and deployment of fieldable systems.
C1 [Few, Doug; Versteeg, Roelof] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Few, D (reprint author), Idaho Natl Lab, 2251 N Blvd, Idaho Falls, ID 83415 USA.
NR 11
TC 0
Z9 0
U1 1
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-8128-3
J9 P SOC PHOTO-OPT INS
PY 2010
VL 7664
AR 76641A
DI 10.1117/12.852639
PG 11
WC Remote Sensing; Optics
SC Remote Sensing; Optics
GA BSR48
UT WOS:000285543100036
ER
PT S
AU Walker, VG
Gertman, DI
AF Walker, Victor G.
Gertman, David I.
BE Harmon, RS
Holloway, KH
Broach, JT
TI CMMAD Usability Case Study in Support of Countermine and Hazard Sensing
SO DETECTION AND SENSING OF MINES, EXPLOSIVE OBJECTS, AND OBSCURED TARGETS
XV
SE Proceedings of SPIE-The International Society for Optical Engineering
LA English
DT Proceedings Paper
CT Conference on Detection and Sensing of Mines, Explosive Objects, and
Obscured Targets XV
CY APR 05-09, 2010
CL Orlando, FL
SP SPIE
DE Human-Robotic Interaction; Interface Design; Countermine; Robotics;
Autonomy
AB During field trials, operator usability data were collected in support of lane clearing missions and hazard sensing for two robot platforms with Robot Intelligence Kernel (RIK) software and sensor scanning payloads onboard. The tests featured autonomous and shared robot autonomy levels where tasking of the robot used a graphical interface featuring mine location and sensor readings. The goal of this work was to provide insights that could be used to further technology development. The efficacy of countermine and hazard systems in terms of mobility, search, path planning, detection, and localization were assessed. Findings from objective and subjective operator interaction measures are reviewed along with commentary from soldiers having taken part in the study who strongly endorse the system.
C1 [Walker, Victor G.; Gertman, David I.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Walker, VG (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
NR 8
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-8128-3
J9 P SOC PHOTO-OPT INS
PY 2010
VL 7664
AR 76641B
DI 10.1117/12.850759
PG 12
WC Remote Sensing; Optics
SC Remote Sensing; Optics
GA BSR48
UT WOS:000285543100037
ER
PT J
AU Pruess, K
Birkholzer, J
Zhou, Q
AF Pruess, K.
Birkholzer, J.
Zhou, Q.
BE MarotoValer, MM
TI Mathematical modeling of the long-term safety of carbon dioxide (CO2)
storage in underground reservoirs
SO DEVELOPMENTS AND INNOVATION IN CARBON DIOXIDE (CO2) CAPTURE AND STORAGE
TECHNOLOGY, VOLUME 2: CARBON DIOXIDE (CO2) STORAGE AND UTILISATION
SE Woodhead Publishing Series in Energy
LA English
DT Article; Book Chapter
DE CO2 storage; coupled processes; multi-scale processes; mathematical
models; numerical simulation; brine displacement; CO2 plumes; CO2
leakage
ID DEEP SALINE AQUIFERS; GEOLOGICAL STORAGE; SITE CHARACTERIZATION;
GREENHOUSE GASES; POROUS-MEDIA; INJECTION; SYSTEMS; LEAKAGE;
SEQUESTRATION; DISPOSAL
AB Industrial-scale injection of carbon dioxide (CO2) into geologic media will induce coupled processes of fluid flow, mass and heat transfer, and chemical and mechanical interactions between fluids and rocks. Mathematical models play a key role in all aspects of CO2 geologic storage, including site characterization, injection design, and performance monitoring and confirmation. The main challenges for modeling arise from couplings between different processes and the large range of space and time scales that must be considered. This chapter provides a broad perspective of modeling issues in the context of an evolving regulatory environment. Proceeding from large-scale to small, we review model applications to fluid pressurization and brine displacement, the long-term fate of injected CO2, and issues of potential CO2 leakage along faults, fracture zones, and improperly abandoned wells. Selected references offer readers a more in-depth pursuit of the issues addressed in this chapter.
C1 [Pruess, K.; Birkholzer, J.; Zhou, Q.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA.
RP Pruess, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth Sci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM K_Pruess@lbl.gov
RI Osovska, Iryna/R-7529-2016; Birkholzer, Jens/C-6783-2011
OI Osovska, Iryna/0000-0002-8109-658X; Birkholzer, Jens/0000-0002-7989-1912
NR 98
TC 0
Z9 0
U1 0
U2 0
PU WOODHEAD PUBL LTD
PI CAMBRIDGE
PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND
BN 978-1-84569-958-1
J9 WOODHEAD PUBL SER EN
PY 2010
IS 16
BP 240
EP 267
DI 10.1533/9781845699581.2.240
PG 28
WC Energy & Fuels; Engineering, Environmental
SC Energy & Fuels; Engineering
GA BSH30
UT WOS:000284401300010
ER
PT B
AU Tuncer, E
Sauers, I
AF Tuncer, Enis
Sauers, Isidor
BE Nelson, JK
TI Industrial Applications Perspective of Nanodielectrics
SO DIELECTRIC POLYMER NANOCOMPOSITES
LA English
DT Article; Book Chapter
ID POLYMER NANOCOMPOSITE DIELECTRICS; EQUIVALENT-CIRCUIT MODEL; NYLON
6-CLAY HYBRID; ELECTRICAL INSULATION; MECHANICAL-PROPERTIES;
THERMAL-STABILITY; POLYETHYLENE NANOCOMPOSITES; EPSILON-CAPROLACTAM;
SILICONE-RUBBER; COMPOSITES
C1 [Tuncer, Enis; Sauers, Isidor] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Tuncer, E (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM Enis.Tuncer@physics.org
OI Tuncer, Enis/0000-0002-9324-4324
NR 98
TC 5
Z9 5
U1 1
U2 3
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
BN 978-1-4419-1590-0
PY 2010
BP 321
EP 338
DI 10.1007/978-1-4419-1591-7_11
D2 10.1007/978-1-4419-1591-7
PG 18
WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology;
Materials Science, Multidisciplinary
SC Engineering; Science & Technology - Other Topics; Materials Science
GA BMT25
UT WOS:000273523600011
ER
PT S
AU Tesfa, TK
Tarboton, DG
Chandler, DG
McNamara, JP
AF Tesfa, T. K.
Tarboton, D. G.
Chandler, D. G.
McNamara, J. P.
BE Boettinger, JL
Howell, DW
Moore, AC
Hartemink, AE
KienastBrown, S
TI A Generalized Additive Soil Depth Model for a Mountainous Semi-Arid
Watershed Based Upon Topographic and Land Cover Attributes
SO DIGITAL SOIL MAPPING: BRIDGING RESEARCH, ENVIRONMENTAL APPLICATION, AND
OPERATION
SE Progress in Soil Science
LA English
DT Proceedings Paper
CT 3rd Global Workshop on Digital Soil Mapping
CY SEP 30-OCT 03, 2008
CL Utah State Univ, Logan, UT
SP Int Union Soil Sci Working Grp Digital Soil Mapping, US Dept Agr Nat Resources Conservat Serv
HO Utah State Univ
DE Generalized additive models; Explanatory variables; Land cover
attributes; Soil depth; Topographic attributes
ID FLOW
AB Soil depth is an important input parameter in hydrological and ecological modeling. Presently, the soil depth data available in national soil databases (STATSGO, SSURGO) is provided as averages within generalized map units. Spatial uncertainty within these units limits their applicability for spatially distributed modeling. This work reports a statistical model for prediction of soil depth in a semi-arid mountainous watershed that is based upon topographic and other landscape attributes. Soil depth was surveyed by driving a rod into the ground until refusal at geo-referenced locations selected to represent the range of topographic and land cover variations in Dry Creek Experimental Watershed, Boise, Idaho, USA. The soil depth survey consisted of a model calibration set, measured at 819 locations over 8 sub-watersheds, and a model testing set, measured at 130 locations randomly distributed over the remainder of the watershed. Topographic attributes were derived from a Digital Elevation Model. Land cover attributes were derived from Landsat TM remote sensing images and high resolution aerial photographs. A Generalized Additive Model was developed to predict soil depth over the watershed from these attributes. This model explained about 50% of the soil depth spatial variation and is an important improvement towards solving the need in distributed modeling for distributed soil depth input data.
C1 [Tesfa, T. K.] Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA.
[Tarboton, D. G.] Utah State Univ, Civil & Environm Engn Dept, Logan, UT 84322 USA.
[Chandler, D. G.] Kansas State Univ, Dept Civil Engn, Manhattan, KS 66506 USA.
[McNamara, J. P.] Boise State Univ, Dept Geosci, Boise, ID 83725 USA.
RP Tesfa, TK (reprint author), Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA.
EM Teklu.Tesfa@pnl.gov; david.tarboton@usu.edu; dcg@ksu.edu;
JMCNAMAR@boisestate.edu
NR 20
TC 2
Z9 2
U1 0
U2 0
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
SN 2352-4774
BN 978-90-481-8863-5; 978-90-481-8862-8
J9 PROGR SOIL SCI
PY 2010
VL 2
BP 29
EP 41
DI 10.1007/978-90-481-8863-5_3
PG 13
WC Remote Sensing; Soil Science
SC Remote Sensing; Agriculture
GA BG7AO
UT WOS:000391133800003
ER
PT J
AU Bradonjic, M
Muller, T
Percus, AG
AF Bradonjic, Milan
Mueller, Tobias
Percus, Allon G.
TI Coloring Geographical Threshold Graphs
SO DISCRETE MATHEMATICS AND THEORETICAL COMPUTER SCIENCE
LA English
DT Article
DE Geographical threshold graphs; random geometric graphs; chromatic
number; coloring algorithm
ID RANDOM GEOMETRIC GRAPHS
AB We propose a coloring algorithm for sparse random graphs generated by the geographical threshold graph (GTG) model, a generalization of random geometric graphs (RGG). In a GTG, nodes are distributed in a Euclidean space, and edges are assigned according to a threshold function involving the distance between nodes as well as randomly chosen node weights. The motivation for analyzing this model is that many real networks (e. g., wireless networks, the Internet, etc.) need to be studied by using a "richer" stochastic model (which in this case includes both a distance between nodes and weights on the nodes). Here, we analyze the GTG coloring algorithm together with the graph's clique number, showing formally that in spite of the differences in structure between GTG and RGG, the asymptotic behavior of the chromatic number is identical: chi = ln n/ln ln n(1 +o(1)). Finally, we consider the leading corrections to this expression, again using the coloring algorithm and clique number to provide bounds on the chromatic number. We show that the gap between the lower and upper bound is within C ln n/(ln ln n)(2), and specify the constant C.
C1 [Bradonjic, Milan] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Bradonjic, Milan] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Mueller, Tobias] Tel Aviv Univ, Sch Math, Tel Aviv, Israel.
[Percus, Allon G.] Claremont Grad Univ, Sch Math Sci, Claremont, CA USA.
RP Bradonjic, M (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM milan@lanl.gov; tobias@cwi.nl; allon.percus@cgu.edu
FU Department of Energy at Los Alamos National Laboratory
[DE-AC52-06NA25396]
FX Supported by the Department of Energy ASCR program at Los Alamos
National Laboratory under contract DE-AC52-06NA25396.
NR 10
TC 1
Z9 1
U1 0
U2 1
PU DISCRETE MATHEMATICS THEORETICAL COMPUTER SCIENCE
PI NANCY
PA 62 RUE DU CARDINAL MATHIEU, F-54000 NANCY, FRANCE
SN 1365-8050
J9 DISCRETE MATH THEOR
JI Discret. Math. Theor. Comput. Sci.
PY 2010
VL 12
IS 3
BP 103
EP 114
PG 12
WC Computer Science, Software Engineering; Mathematics, Applied;
Mathematics
SC Computer Science; Mathematics
GA 642HC
UT WOS:000281195800003
ER
PT J
AU Rodland, KD
AF Rodland, Karin D.
TI Systems biology and biomarker discovery
SO DISEASE MARKERS
LA English
DT Editorial Material
ID CANCER; IDENTIFICATION; PROTEINS
C1 Pacific NW Natl Lab, NIH Programs Biol Sci Div, Richland, WA 99352 USA.
RP Rodland, KD (reprint author), Pacific NW Natl Lab, NIH Programs Biol Sci Div, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA.
EM karin.rodland@pnl.gov
NR 15
TC 1
Z9 1
U1 0
U2 0
PU IOS PRESS
PI AMSTERDAM
PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS
SN 0278-0240
J9 DIS MARKERS
JI Dis. Markers
PY 2010
VL 28
IS 4
BP 195
EP 197
DI 10.3233/DMA-2010-0706
PG 3
WC Biotechnology & Applied Microbiology; Genetics & Heredity; Medicine,
Research & Experimental; Pathology
SC Biotechnology & Applied Microbiology; Genetics & Heredity; Research &
Experimental Medicine; Pathology
GA 617ZS
UT WOS:000279321200001
PM 20534904
ER
PT J
AU McDermott, JE
Costa, M
Janszen, D
Singhal, M
Tilton, SC
AF McDermott, Jason E.
Costa, Michelle
Janszen, Derek
Singhal, Mudita
Tilton, Susan C.
TI Separating the drivers from the driven: Integrative network and pathway
approaches aid identification of disease biomarkers from high-throughput
data
SO DISEASE MARKERS
LA English
DT Article
DE Networks; systems biology; high-throughput data; topological analysis
ID PROTEIN INTERACTION NETWORK; GENE-EXPRESSION DATA; SIGNAL-TRANSDUCTION
PATHWAYS; FLUX-BALANCE ANALYSIS; SYSTEMS BIOLOGY; FLUCTUATING
ENVIRONMENTS; REGULATORY NETWORKS; MOLECULAR NETWORKS; GENOMIC DATA;
IN-SILICO
AB The recent advances in high-throughput data acquisition have driven a revolution in the study of human disease and determination of molecular biomarkers of disease states. It has become increasingly clear that many of the most important human diseases arise as the result of a complex interplay between several factors including environmental factors, such as exposure to toxins or pathogens, diet, lifestyle, and the genetics of the individual patient. Recent research has begun to describe these factors in the context of networks which describe relationships between biological components, such as genes, proteins and metabolites, and have made progress towards the understanding of disease as a dysfunction of the entire system, rather than, for example, mutations in single genes. We provide a summary of some of the recent work in this area, focusing on how the integration of different kinds of complementary data, and analysis of biological networks and pathways can lead to discovery of robust, specific and useful biomarkers of disease and how these methods can help shed light on the mechanisms and etiology of the diseases being studied.
C1 [McDermott, Jason E.; Costa, Michelle; Janszen, Derek; Tilton, Susan C.] Pacific NW Natl Lab, Computat Biol & Bioinformat Grp, Richland, WA 99352 USA.
RP McDermott, JE (reprint author), Pacific NW Natl Lab, Computat Biol & Bioinformat Grp, MSIN J4-33,902 Battelle Blvd,POB 999, Richland, WA 99352 USA.
EM Jason.McDermott@pnl.gov
OI McDermott, Jason/0000-0003-2961-2572
FU NINDS NIH HHS [R01 NS057484]
NR 91
TC 14
Z9 14
U1 0
U2 2
PU IOS PRESS
PI AMSTERDAM
PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS
SN 0278-0240
J9 DIS MARKERS
JI Dis. Markers
PY 2010
VL 28
IS 4
BP 253
EP 266
DI 10.3233/DMA-2010-0695
PG 14
WC Biotechnology & Applied Microbiology; Genetics & Heredity; Medicine,
Research & Experimental; Pathology
SC Biotechnology & Applied Microbiology; Genetics & Heredity; Research &
Experimental Medicine; Pathology
GA 617ZS
UT WOS:000279321200007
PM 20534910
ER
PT S
AU Yang, LH
Tang, MJ
Moriarty, JA
AF Yang, Lin H.
Tang, Meijie
Moriarty, John A.
BE Hirth, JP
Kubin, L
TI Dislocations and Plasticity in bcc Transition Metals at High Pressure
SO DISLOCATIONS IN SOLIDS, VOL 16: THE 30TH ANNIVERSARY VOLUME
SE Dislocations in Solids
LA English
DT Article; Book Chapter
ID CENTERED CUBIC METALS; GENERALIZED PSEUDOPOTENTIAL THEORY; MOLYBDENUM
SINGLE-CRYSTALS; KINKED SCREW DISLOCATIONS; NON-GLIDE STRESSES;
ATOMISTIC SIMULATIONS; INTERATOMIC POTENTIALS; AB-INITIO;
BOUNDARY-CONDITIONS; GREENS-FUNCTION
C1 [Yang, Lin H.; Tang, Meijie; Moriarty, John A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Yang, LH (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
NR 84
TC 8
Z9 8
U1 0
U2 2
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1572-4859
BN 978-0-44-453534-4; 978-0-44-453443-9
J9 DISCLOC SOLIDS
PY 2010
VL 16
BP 1
EP 46
DI 10.1016/S1572-4859(09)01601-5
PG 46
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA BCO75
UT WOS:000310875000002
ER
PT J
AU Vaniachine, AV
AF Vaniachine, A. V.
GP JINR
TI LHC DATABASES ON THE GRID: ACHIEVEMENTS AND OPEN ISSUES
SO DISTRIBUTED COMPUTING AND GRID-TECHNOLOGIES IN SCIENCE AND EDUCATION
LA English
DT Proceedings Paper
CT 4th International Conference on Distributed Computing and
Grid-Technologies in Science and Education
CY JUN 28-JUL 03, 2010
CL Joint Inst Nucl Res, Lab Informat Technologies, Dubna, RUSSIA
SP PARALLEL RU, RGP, Niagara Distribut Co, Super Micro Comp Inc, Russian Fdn Basic Res, Real Geo Project, Int Acad Sci, Russian Sect
HO Joint Inst Nucl Res, Lab Informat Technologies
AB To extract physics results from the recorded data, the LHC experiments are using Grid computing infrastructure. The event data processing on the Grid requires scalable access to nonevent data (detector conditions, calibrations, etc.) stored in relational databases. The database-resident data are critical for the event data reconstruction processing steps and often required for physics analysis.
This paper reviews LHC experience with database technologies for the Grid computing. List of topics includes: database integration with Grid computing models of the LHC experiments; choice of database technologies; examples of database interfaces; distributed database applications (data complexity, update frequency, data volumes and access patterns); scalability of database access in the Grid computing environment of the LHC experiments. The review describes areas in which substantial progress was made and remaining open issues.
C1 [Vaniachine, A. V.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Vaniachine, AV (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
FU U.S. Department of Energy, Division of High Energy Physics
[DE-AC02-06CH11357]
FX I wish to thank the Conference organizers for their invitation and
hospitality. I also thank all my collaborators and colleagues who
provided materials for this review. This work is supported in part by
the U.S. Department of Energy, Division of High Energy Physics, under
Contract DE-AC02-06CH11357.
NR 12
TC 1
Z9 1
U1 0
U2 0
PU JOINT INST NUCLEAR RESEARCH, PUBLISHING DEPT
PI DUBNA
PA JOLIOT-CURIE 6, DUBNA, 141980, RUSSIA
BN 978-5-9530-0269-1
PY 2010
BP 241
EP 250
PG 10
WC Computer Science, Interdisciplinary Applications; Computer Science,
Theory & Methods
SC Computer Science
GA BG9SU
UT WOS:000393794200040
ER
PT S
AU Kasiviswanathan, S
Zhao, B
Vasudevan, S
Urgaonkar, B
AF Kasiviswanathan, Shiva
Zhao, Bo
Vasudevan, Sudarshan
Urgaonkar, Bhuvan
BE Kant, K
Pemmaraju, SV
Sivalingam, KM
Wu, J
TI Bandwidth Provisioning in Infrastructure-Based Wireless Networks
Employing Directional Antennas
SO DISTRIBUTED COMPUTING AND NETWORKING, PROCEEDINGS
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 11th International Conference on Distributed Computing and Networking
CY JAN 03-06, 2010
CL Kolkata, INDIA
AB Motivated by the widespread proliferation of wireless networks employing directional antennas, we study the problem of provisioning bandwidth in such networks. Given a set of subscribers and one or more access points possessing directional antennas, we formalize the problem of orienting these antennas in two fundamental settings: (i) subscriber-centric, where the objective is to fairly allocate bandwidth among the subscribers and (ii) provider-centric, where the objective is to maximize the revenue generated by satisfying the bandwidth requirements of subscribers.
For both the problems, we first design algorithms for a network with only one access point working under the assumption that the number of antennas does not exceed the number of non-interfering channels. Using the well-regarded lexicographic max-min fair allocation as the objective for a subscriber-centric network, we present an optimum dynamic programming algorithm. For a provider-centric network, the allocation problem turns out to be NP-hard. We present a greedy heuristic based algorithm that guarantees almost half of the optimum revenue. We later enhance both these algorithms to operate in more general networks with multiple access points and no restrictions on the relative numbers of antennas and channels. A simulation-based evaluation using OPNET demonstrates the efficacy of our approaches and provides us further in insights into these problems.
C1 [Kasiviswanathan, Shiva] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Zhao, Bo; Urgaonkar, Bhuvan] Penn State Univ, State Coll, PA USA.
[Vasudevan, Sudarshan] Univ Massachusetts, Amherst, MA 01003 USA.
RP Kasiviswanathan, S (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM kasivisw@gmail.com; bzhao@cse.psu.edu; svasu@cs.umass.edu;
bhuvan@cse.psu.edu
NR 16
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-642-11321-5
J9 LECT NOTES COMPUT SC
PY 2010
VL 5935
BP 295
EP +
PG 2
WC Computer Science, Theory & Methods
SC Computer Science
GA BPP85
UT WOS:000279609700026
ER
PT S
AU Horey, J
Nelson, E
Maccabe, AB
AF Horey, James
Nelson, Eric
Maccabe, Arthur B.
BE Rajaraman, R
Moscibroda, T
Dunkels, A
Scaglione, A
TI Tables: A Spreadsheet-Inspired Programming Model for Sensor Networks
SO DISTRIBUTED COMPUTING IN SENSOR SYSTEMS, PROCEEDINGS
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 6th IEEE International Conference on Distributed Computing in Sensor
Systems
CY JUN 21-23, 2010
CL Santa Barbara, CA
SP IEEE Comp Soc TCPP, IEEE Comp Soc TCDP, ACM SIGARCH, ACM SIGBED, European Assoc Theoret Comp Sci, IFIP WG 10 3
AB Current programming interfaces for sensor networks often target experienced developers and lack important features. Tables is a spreadsheet inspired programming environment that enables rapid development of complex applications by a wide range of users. Tables emphasizes ease-of-use by employing spreadsheet abstractions, including pivot tables and data-driven functions. Using these tools, users are able to construct applications that incorporate local and collective computation and communication. We evaluate the design and implementation of Tables on the TelosB platform, and show how Tables can be used to construct data monitoring, classification, and object tracking applications. We discuss the relative computation, memory, and network overhead imposed by the Tables environment. With this evaluation, we show that the Tables programming environment represents a feasible alternative to existing programming systems.
C1 [Horey, James; Nelson, Eric; Maccabe, Arthur B.] Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA.
RP Horey, J (reprint author), Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA.
EM horeyjl@ornl.gov; eric.j.nelson@aero.org; maccabe@ornl.gov
FU Department of Homeland Security-sponsored Southeast Region Research
Initiative (SERRI) at the Department of Energy Oak Ridge National
Laboratory
FX This research was partially funded by the Department of Homeland
Security-sponsored Southeast Region Research Initiative (SERRI) at the
Department of Energy Oak Ridge National Laboratory
NR 23
TC 1
Z9 1
U1 0
U2 3
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-642-13650-4
J9 LECT NOTES COMPUT SC
PY 2010
VL 6131
BP 1
EP +
PG 3
WC Computer Science, Information Systems; Computer Science, Software
Engineering; Computer Science, Theory & Methods
SC Computer Science
GA BPP86
UT WOS:000279610000001
ER
PT S
AU Coldwell, K
Cutts, SM
Ognibene, TJ
Henderson, PT
Phillips, DR
AF Coldwell, Kate
Cutts, Suzanne M.
Ognibene, Ted J.
Henderson, Paul T.
Phillips, Don R.
BE Fox, KR
TI Detection of Adriamycin-DNA Adducts by Accelerator Mass Spectrometry
SO DRUG-DNA INTERACTION PROTOCOLS, SECOND EDITION
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE Adriamycin (doxorubicin); Adriamycin-DNA adducts; Accelerator mass
spectrometry; [C-14] Radioisotopes
ID INTERSTRAND CROSS-LINKS; CELLS; DAUNORUBICIN; DOXORUBICIN; NUCLEAR; DRUG
AB There have been many attempts in the past to determine whether significant levels of Adriamycin-DNA adducts form in cells and contribute to the anticancer activity of this agent. Supraclincal drug levels have been required to study drug-DNA adducts because of the lack of sensitivity associated with many of the techniques employed, including liquid scintillation counting of radiolabeled drug. The use of accelerator mass spectrometry (AMS) has provided the first direct evidence of Adriamycin-DNA adduct formation in cells at clinically relevant Adriamycin concentrations. The exceedingly sensitive nature of AMS has enabled over three orders of magnitude increased sensitivity of Adriamycin-DNA adduct detection (compared to liquid scintillation counting) and has revealed adduct formation within an hour of drug treatment. The rigorous protocol required for this approach, together with many notes on the precautions and procedures required in order to ensure that absolute levels of Adriamycin-DNA adducts can be determined with good reproducibility, is outlined in this chapter.
C1 [Coldwell, Kate; Cutts, Suzanne M.; Phillips, Don R.] La Trobe Univ, Dept Biochem, Bundoora, Vic 3083, Australia.
[Henderson, Paul T.] Univ Calif Davis, Med Ctr, Ctr Canc, Div Hematol & Oncol,Dept Internal Med, Sacramento, CA 95817 USA.
[Ognibene, Ted J.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA.
RP Coldwell, K (reprint author), La Trobe Univ, Dept Biochem, Bundoora, Vic 3083, Australia.
RI Cutts, Suzanne/B-2467-2012
OI Cutts, Suzanne/0000-0002-6055-0405
FU NCRR NIH HHS [P41 RR13461]
NR 20
TC 4
Z9 4
U1 0
U2 4
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-60327-417-3
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2010
VL 613
BP 103
EP 118
DI 10.1007/978-1-60327-418-0_7
D2 10.1007/978-1-60327-418-0
PG 16
WC Biochemical Research Methods; Biochemistry & Molecular Biology;
Pharmacology & Pharmacy
SC Biochemistry & Molecular Biology; Pharmacology & Pharmacy
GA BND75
UT WOS:000274240300007
PM 19997880
ER
PT J
AU Hwang, IH
Lee, DJ
Yoon, SS
Kim, HY
James, SC
AF Hwang, In H.
Lee, Dong J.
Yoon, Sam S.
Kim, Ho Y.
James, Scott C.
TI Splashing Characteristics of Monodisperse Sprays with Significant
Viscosity Differences Impacting a Flat Surface
SO DRYING TECHNOLOGY
LA English
DT Article
DE Dissipation energy; Glycerin viscosity; Splash criteria; Spray coating
ID COMPUTATIONAL FLUID-DYNAMICS; FOOD-INDUSTRY; SOLID-SURFACE; WATER SPRAY;
DROPLET; DESIGN; CFD
AB Drop impingement and splashing as a function of viscosity and, to a lesser extent, temperature are examined here. The working fluid is a mixture of water and glycerin with relative mass percentages varying from 0 to 100%, which spans a viscosity range of three orders of magnitude. First, a criterion that separates oono and ooffo for splashing as a function of glycerin percentage is expressed in terms of both Weber and Reynolds numbers and its highly nonlinear behavior is a function of the change in fluid viscosity. Next, the complex splashing characteristics of a rather simple monodisperse spray injected at a pressure of 2 bars onto a flat, 2-mm-diameter aluminum cylindrical rod are examined. Spatial variations in the fraction of splashed liquid, Sauter mean diameter, splashed droplet size distribution, and splash volume fraction as a function of radial distance for these mixtures are reported.
C1 [Hwang, In H.; Lee, Dong J.; Yoon, Sam S.; Kim, Ho Y.] Korea Univ Anamdong, Dept Mech Engn, Seoul 136713, South Korea.
[James, Scott C.] Sandia Natl Labs, Livermore, CA USA.
RP Yoon, SS (reprint author), Korea Univ Anamdong, Dept Mech Engn, 5 Ga, Seoul 136713, South Korea.
EM skyoon@korea.ac.kr
OI James, Scott/0000-0001-7955-0491
FU Ministry of Knowledge Economy [2009-3021010030-11-1]; Korea Research
Council Industrial Science and Technology, Republic of Korea
[B551179-08-03-00]
FX This research was supported by Research Center of Breakthrough
Technology Program through the Korea Institute of Energy Technology
Evaluation and Planning (KETEP) funded by the Ministry of Knowledge
Economy (2009-3021010030-11-1). This study was partly supported by a
grant from the cooperative R&D Program (B551179-08-03-00) funded by the
Korea Research Council Industrial Science and Technology, Republic of
Korea.
NR 27
TC 1
Z9 1
U1 1
U2 2
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA
SN 0737-3937
J9 DRY TECHNOL
JI Dry. Technol.
PY 2010
VL 28
IS 12
BP 1321
EP 1330
AR PII 930049529
DI 10.1080/07373937.2010.482703
PG 10
WC Engineering, Chemical; Engineering, Mechanical
SC Engineering
GA 685ET
UT WOS:000284612300001
ER
PT S
AU Rudd, RE
AF Rudd, Robert E.
BE Zhao, Y
Liao, X
TI High-rate Plastic Deformation of Nanocrystalline Tantalum to Large
Strains: Molecular Dynamics Simulation
SO DUCTILITY OF BULK NANOSTRUCTURED MATERIALS
SE Materials Science Forum
LA English
DT Article; Book Chapter
DE Nanocrystalline; Tantalum; High Strain Rate; Molecular Dynamics;
Orientation Analysis; Dislocation Analysis
ID X-RAY-DIFFRACTION; TRANSITION-METALS; ATOMISTIC SIMULATION; PRECURSOR
DECAY; SHOCK-WAVES; COMPRESSION; BEHAVIOR; STRENGTH; STRESS; ALLOYS
AB Recent advances in the ability to generate extremes of pressure and temperature in dynamic experiments and to probe the response of materials has motivated the need for special materials optimized for those conditions as well as a need for a much deeper understanding of the behavior of materials subjected to high pressure and/or temperature. Of particular importance is the understanding of rate effects at the extremely high rates encountered in those experiments, especially with the next generation of laser drives such as at the National Ignition Facility. Here we use large-scale molecular dynamics (MD) simulations of the high-rate deformation of nanocrystalline tantalum to investigate the processes associated with plastic deformation for strains up to 100%. We use initial atomic configurations that were produced through simulations of solidification in the work of Streitz et al [Phys. Rev. Lett. 96, (2006) 225701]. These 3D polycrystalline systems have typical grain sizes of 10-20 nm. We also study a rapidly quenched liquid (amorphous solid) tantalum. We apply a constant volume (isochoric), constant temperature (isothermal) shear deformation over a range of strain rates, and compute the resulting stress-strain curves to large strains for both uniaxial and biaxial compression. We study the rate dependence and identify plastic deformation mechanisms. The identification of the mechanisms is facilitated through a novel technique that computes the local grain orientation, returning it as a quaternion for each atom. This analysis technique is robust and fast, and has been used to compute the orientations on the fly during our parallel MD simulations on supercomputers. We find both dislocation and twinning processes are important, and they interact in the weak strain hardening in these extremely fine-grained microstructures.
C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Rudd, RE (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-045, Livermore, CA 94550 USA.
EM robert.rudd@llnl.gov
OI Rudd, Robert/0000-0002-6632-2681
NR 81
TC 15
Z9 15
U1 2
U2 10
PU TRANS TECH PUBLICATIONS LTD
PI DURNTEN-ZURICH
PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND
SN 0255-5476
J9 MATER SCI FORUM
PY 2010
VL 633-634
BP 3
EP 19
DI 10.4028/www.scientific.net/MSF.633-634.3
PG 17
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA BOC20
UT WOS:000276161200001
ER
PT S
AU Caro, A
Farkas, D
Bringa, EM
Gilmer, GH
Zepeda-Ruiz, LA
AF Caro, A.
Farkas, D.
Bringa, E. M.
Gilmer, G. H.
Zepeda-Ruiz, L. A.
BE Zhao, Y
Liao, X
TI Effects of Microalloying on the Mobility and Mechanical Response of
Interfaces in Nanocrystalline Cu
SO DUCTILITY OF BULK NANOSTRUCTURED MATERIALS
SE Materials Science Forum
LA English
DT Article; Book Chapter
DE Dynamics; Grain Boundary Sliding; Grain Growth; Microalloying
ID GRAIN-BOUNDARY MIGRATION; STRAIN-RATE SENSITIVITY; FE-CU;
MOLECULAR-DYNAMICS; NANOSCALE TWINS; COPPER; SEGREGATION; STRENGTH;
METALS; ALLOYS
AB We utilize a novel computational approach to model the problem of impurity segregation at grain boundaries in nanophase materials. It is based on a parallel MonteCarlo algorithm that places the impurities according to the local chemical potential for the species, following the thermodynamic driving force for segregation. This technique is combined with molecular dynamics techniques to study the role played by Fe impurities in the properties of nanocrystalline Cu grain boundary properties. The impurities were found to improve microstructural stability as studied by high temperature annealing simulations, and grain boundary cohesion as studied via spall resistance high stresses produced by simulated laser irradiation. Virtual tensile tests of samples with and without impurities revealed that the impurities did not affect the high flow stress typical of nanostructured material. We interpret these results in terms of impurity dragging and grain boundary sliding.
C1 [Caro, A.; Bringa, E. M.; Gilmer, G. H.; Zepeda-Ruiz, L. A.] Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94550 USA.
[Farkas, D.] Full Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA.
RP Caro, A (reprint author), Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94550 USA.
EM caro2@llnl.gov; diana@vt.edu
NR 42
TC 4
Z9 4
U1 1
U2 11
PU TRANS TECH PUBLICATIONS LTD
PI STAFA-ZURICH
PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND
SN 0255-5476
J9 MATER SCI FORUM
PY 2010
VL 633-634
BP 21
EP 30
DI 10.4028/www.scientific.net/MSF.633-634.21
PG 10
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA BOC20
UT WOS:000276161200002
ER
PT S
AU Beyerlein, IJ
Capolungo, L
Yapici, GG
Tome, CN
Karaman, I
AF Beyerlein, I. J.
Capolungo, L.
Yapici, G. G.
Tome, C. N.
Karaman, I.
BE Zhao, Y
Liao, X
TI Multi-Scale Modeling of Texture Evolution in Beryllium and Zirconium
during Equal Channel Angular Extrusion
SO DUCTILITY OF BULK NANOSTRUCTURED MATERIALS
SE Materials Science Forum
LA English
DT Article; Book Chapter
DE Texture; ECAP; beryllium; zirconium; large strains; strain path changes;
dislocations
ID WROUGHT MAGNESIUM ALLOYS; FINITE-ELEMENT-ANALYSIS; CLOSE-PACKED METALS;
MICROSTRUCTURE EVOLUTION; PLASTIC-DEFORMATION; SINGLE-CRYSTALS; ROUTE-C;
ROOM-TEMPERATURE; SELF-CONSISTENT; SIMPLE SHEAR
AB This work studies the deformation mechanisms active in two pure hexagonal close packed metals, beryllium (Be) and zirconium (Zr), during equal channel angular extrusion processing. An experimental-theoretical approach is employed to assess their relative contributions through measurement and calculation of texture evolution. A new multi-scale constitutive model, incorporating thermally activated dislocation density based hardening, is shown to effectively predict texture evolution as a function of processing route, number of passes (up to four), initial texture, pressing rate, and processing temperature. Texture predictions are shown to be in very good agreement with experimental measurements. Also, it is found that the two most active deformation modes in Be are basal slip and prismatic slip, where the predominant one is interestingly found to depend on die angle. Deformation in Zr during the first pass is predicted to be accommodated not only by its easiest mode, prismatic slip, but by basal slip and tensile twinning.
C1 [Beyerlein, I. J.; Capolungo, L.; Tome, C. N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Yapici, G. G.] Schlumberger Technol Corp, Rosharon, TX 77583 USA.
[Karaman, I.] Texas A&M Univ, College Stn, TX 77843 USA.
RP Beyerlein, IJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM irene@lanl.gov; laurentc@lanl.gov; gyapici@slb.com; tome@lanl.gov;
ikaraman@tamu.edu
RI Beyerlein, Irene/A-4676-2011;
OI Karaman, Ibrahim/0000-0001-6461-4958
NR 69
TC 4
Z9 4
U1 0
U2 4
PU TRANS TECH PUBLICATIONS LTD
PI STAFA-ZURICH
PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND
SN 0255-5476
J9 MATER SCI FORUM
PY 2010
VL 633-634
BP 483
EP 510
DI 10.4028/www.scientific.net/MSF.633-634.483
PG 28
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA BOC20
UT WOS:000276161200040
ER
PT S
AU Mara, NA
Bhattacharyya, D
Dickerson, P
Hoagland, RG
Misra, A
AF Mara, N. A.
Bhattacharyya, D.
Dickerson, P.
Hoagland, R. G.
Misra, A.
BE Zhao, Y
Liao, X
TI Ultrahigh Strength and Ductility of Cu-Nb Nanolayered Composites
SO DUCTILITY OF BULK NANOSTRUCTURED MATERIALS
SE Materials Science Forum
LA English
DT Article; Book Chapter
DE nanocomposite; micropillar compression; mechanical behavior; ductility;
strength
ID MECHANICAL-PROPERTIES; FCC METALS; NANOCRYSTALLINE; DISLOCATIONS;
MULTILAYERS; PLASTICITY; INTERFACES; SCALE
AB In recent years, the high strength of nanomaterials has gathered much interest in the materials community. Nanomaterials (polycrystalline and composites) have already been used, largely by the semiconductor community, as critical length scales for chip design have decreased to tens of nanometers. However, to ensure reliability of nanomaterials, the mechanisms underlying their structural integrity must be well understood. For these materials to be put into service, not only should their strength be considered, but also ductility, toughness, formability, and fatigue resistance. While some progress has been made into constructing models for the deformation mechanisms governing these behaviors, the body of experimental knowledge is still limited, especially for length scales below 10 nanometers. The results described here show stress-strain curves for nanolaminate composites with individual layer thickness of 40 nm and 5 nm. Nanolaminate composites fabricated via magnetron sputtering comprised of alternating 5 nm thick Cu and Nb multilayers (two relatively soft metals) exhibit strengths on par with hardened tool steel and deformability in compression in excess of 25% [1]. The deformability of nanoscale composites is found to be limited by the onset of geometric instability.
C1 [Mara, N. A.; Dickerson, P.; Hoagland, R. G.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Bhattacharyya, D.; Misra, A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
RP Mara, NA (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MS G756, Los Alamos, NM 87545 USA.
EM namara@lanl.gov; dhriti@lanl.gov; pdickerson@lanl.gov;
hoagland@lanl.gov; amisra@lanl.gov
RI Hoagland, Richard/G-9821-2012; Mara, Nathan/J-4509-2014;
OI Mara, Nathan/0000-0002-9135-4693
NR 19
TC 11
Z9 11
U1 1
U2 12
PU TRANS TECH PUBLICATIONS LTD
PI STAFA-ZURICH
PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND
SN 0255-5476
J9 MATER SCI FORUM
PY 2010
VL 633-634
BP 647
EP 653
DI 10.4028/www.scientific.net/MSF.633-634.647
PG 7
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA BOC20
UT WOS:000276161200052
ER
PT B
AU Chen, WNW
Song, B
AF Chen, Weinong W.
Song, Bo
BE Shukla, A
Ravichandran, G
Rajapakse, YDS
TI Dynamic Characterization of Soft Materials
SO DYNAMIC FAILURE OF MATERIALS AND STRUCTURES
LA English
DT Article; Book Chapter
DE Soft materials; High strain-rates; Split Hopkinson bar; Pulse shaping;
Dynamic equilibrium; High-rate responses
ID HOPKINSON PRESSURE BAR; EPOXY SYNTACTIC FOAM; PULSE-SHAPING TECHNIQUES;
CONSTANT STRAIN RATES; COMPRESSIVE RESPONSE; VISCOELASTIC PROPERTIES;
POLYMERIC FOAMS; BEHAVIOR; STRESS; SPECIMENS
AB Soft materials, such as elastomers, foams, gels, and biological tissues, possess low stiffness, yield strength, and wave speeds. These characteristics pose challenges in experiment design to obtain the dynamic properties of soft materials at high rates of loading. The low wave speeds delay the stress equilibrium in the specimen. Low strength and stiffness require highly sensitive load detection system. Low strength also makes inertia effects significant. This chapter illustrates these challenges as they are encountered in high-rate experiments using Kolsky bars. Experimental solutions designed to overcome these difficulties are then introduced and demonstrated.
C1 [Chen, Weinong W.] Purdue Univ, W Lafayette, IN 47907 USA.
[Song, Bo] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Chen, WNW (reprint author), Purdue Univ, W Lafayette, IN 47907 USA.
NR 91
TC 4
Z9 6
U1 1
U2 14
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
BN 978-1-4419-0445-4
PY 2010
BP 1
EP 28
DI 10.1007/978-1-4419-0446-1_1
D2 10.1007/978-1-4419-0446-1
PG 28
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA BMD17
UT WOS:000271892200001
ER
PT J
AU Beauducel, F
Bross, A
Buontempo, S
D'Auria, L
Declais, Y
De Lellis, G
Festa, G
Gasparini, P
Gibert, D
Hoshina, K
Iacobucci, G
Lesparre, N
Macedonio, G
Marotta, A
Marteau, J
Martini, M
Miele, G
Migliozzi, P
Moura, CA
Orazi, M
Pla-Dalmau, A
Pisanti, O
Pastor, S
Peluso, R
Rubinov, P
Scarpato, G
Sekhniaidze, G
Strolin, P
Taira, H
Tanaka, M
Tanaka, HKM
Tarantola, A
Uchida, T
Vassallo, M
Yokoyama, I
Zollo, A
AF Beauducel, F.
Bross, A.
Buontempo, S.
D'Auria, L.
Declais, Y.
De Lellis, G.
Festa, G.
Gasparini, P.
Gibert, D.
Hoshina, K.
Iacobucci, G.
Lesparre, N.
Macedonio, G.
Marotta, A.
Marteau, J.
Martini, M.
Miele, G.
Migliozzi, P.
Moura, C. A.
Orazi, M.
Pla-Dalmau, A.
Pisanti, O.
Pastor, S.
Peluso, R.
Rubinov, P.
Scarpato, G.
Sekhniaidze, G.
Strolin, P.
Taira, H.
Tanaka, M.
Tanaka, H. K. M.
Tarantola, A.
Uchida, T.
Vassallo, M.
Yokoyama, I.
Zollo, A.
TI The MU-RAY project: Summary of the round-table discussions
SO EARTH PLANETS AND SPACE
LA English
DT Article; Proceedings Paper
CT 1st Workshop on High Energy Earth Science
CY JUN 26-27, 2008
CL Univ Tokyo, Earthquake Res Inst, Tokyo, JAPAN
HO Univ Tokyo, Earthquake Res Inst
DE Muon; radiography; volcanoes
ID VOLCANIC CRATER FLOOR; INTERNAL STRUCTURE; SEISMIC EVIDENCE;
MT-VESUVIUS; RADIOGRAPHY; SCINTILLATOR; TRACKER; ASAMA; MUONS; CRUST
AB The MU-RAY project has the challenging aim of performing muon radiography of the summit cone of Mt. Vesuvius. The muon telescopes developed for this purpose will be available for the radiography of other volcanoes, in particular Stromboli. The scientific goals, the strategy for their implementation and the baseline detector design are discussed in detail. A tentative time schedule for the project is drawn.
C1 [Beauducel, F.; Gibert, D.; Lesparre, N.; Tarantola, A.] Inst Phys Globe, Paris, France.
[Bross, A.; Pla-Dalmau, A.; Rubinov, P.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Buontempo, S.; De Lellis, G.; Iacobucci, G.; Marotta, A.; Miele, G.; Migliozzi, P.; Moura, C. A.; Pisanti, O.; Sekhniaidze, G.; Strolin, P.; Vassallo, M.] Ist Nazl Fis Nucl, Sez Napoli, Naples, Italy.
[D'Auria, L.; Macedonio, G.; Martini, M.; Orazi, M.; Peluso, R.; Scarpato, G.] INGV, Osservatorio Vesuviano, Bologna, Italy.
[De Lellis, G.; Festa, G.; Gasparini, P.; Miele, G.; Pisanti, O.; Strolin, P.; Zollo, A.] Univ Naples Federico 2, Naples, Italy.
[Gasparini, P.; Vassallo, M.] Consorzio Anal & Monitoraggio Rischi Ambientali, Naples, Italy.
[Hoshina, K.] Univ Wisconsin, Madison, WI 53706 USA.
[Pastor, S.] Univ Valencia, CSIC, Inst Fis Corpuscular, E-46003 Valencia, Spain.
[Taira, H.; Tanaka, H. K. M.] Univ Tokyo, Earthquake Res Inst, Tokyo 1138654, Japan.
[Tanaka, M.] KEK, Inst Particle & Nucl Studies, Tsukuba, Ibaraki, Japan.
[Uchida, T.] Univ Tokyo, Dept Phys, Tokyo 1138654, Japan.
[Yokoyama, I.] Hokkaido Univ, Usu Volcano Lab, Sapporo, Hokkaido 060, Japan.
RP Beauducel, F (reprint author), Inst Phys Globe, Paris, France.
EM giuseppe.iacobucci@na.infn.it
RI Vassallo, Maurizio/C-8235-2009; Festa, Gaetano /F-8525-2010; D'Auria,
Luca/A-2023-2010; zollo, aldo/B-5344-2010; Orazi, Massimo/P-7308-2015;
GIBERT, Dominique/C-7021-2011; Macedonio, Giovanni/G-3855-2011; Miele,
Gennaro/F-3628-2010; Scarpato, Giovanni/J-6388-2012; Pastor,
Sergio/J-6902-2014; Migliozzi, Pasquale/I-6427-2015; Moura,
Celio/K-5672-2013; Peluso, Rosario/L-2463-2015
OI Vassallo, Maurizio/0000-0001-8552-6965; Festa, Gaetano
/0000-0002-2588-8160; D'Auria, Luca/0000-0002-7664-2216; zollo,
aldo/0000-0002-8191-9566; Orazi, Massimo/0000-0003-2772-2989; GIBERT,
Dominique/0000-0002-7578-9259; Macedonio, Giovanni/0000-0001-6604-1479;
Miele, Gennaro/0000-0002-2028-0578; Scarpato,
Giovanni/0000-0003-3048-5283; Migliozzi, Pasquale/0000-0001-5497-3594;
Moura, Celio/0000-0001-7991-9025; Peluso, Rosario/0000-0001-6276-5832
NR 29
TC 3
Z9 3
U1 0
U2 8
PU TERRA SCIENTIFIC PUBL CO
PI TOKYO
PA 2003 SANSEI JIYUGAOKA HAIMU, 5-27-19 OKUSAWA, SETAGAYA-KU, TOKYO,
158-0083, JAPAN
SN 1343-8832
J9 EARTH PLANETS SPACE
JI Earth Planets Space
PY 2010
VL 62
IS 2
BP 145
EP 151
DI 10.5047/eps.2009.03.004
PG 7
WC Geosciences, Multidisciplinary
SC Geology
GA 575GU
UT WOS:000276055800005
ER
PT J
AU Aguilar, R
Pan, J
Gries, C
San Gil, I
Palanisamy, G
AF Aguilar, Raul
Pan, Jerry
Gries, Corinna
San Gil, Inigo
Palanisamy, Giri
TI A flexible online metadata editing and management system
SO ECOLOGICAL INFORMATICS
LA English
DT Article
DE XML schema parser; Metadata editor; EML; XForms; XQuery; Orbeon
AB Our team developed a metadata editing and management system employing state of the art XML technologies initially aimed at the environmental sciences but with the potential to be useful across multiple domains We chose a modular and distributed design for scalability, flexibility, options for customizations, and the possibility to add more functionality at a later stage The system consists of a desktop design tool that generates code for the actual online editor, a native XML database, and all online user access management application A Java Swing application that reads an XML schema, the design tool provides the designer with options to combine input fields into online forms with user-friendly tags and determine the flow of input forms Based oil design decisions, the tool generates XForm code for the online metadata editor which is based on the Orbeon XForms engine The design tool fulfills two requirements First data entry forms based on a schema are Customized at design time and second the tool call generate data entry applications for any valid XML schema without relying on custom information in the schema A configuration file in the design tool saves custom information generated at design time Future developments will add functionality to the design tool to integrate help text, tool tips, project specific keyword lists, and thesaurus services Cascading style sheets customize the look-and-feel of the finished editor The editor produces XML files in compliance with the original schema, however. a user may save the input into a native XML database at any time independent of validity The system uses the open source XML database eXist for storage and uses a MySQL relational database and a simple Java Server Faces user interface for file and access management We chose three levels to distribute administrative responsibilities and handle the common situation of an information manager entering the bulk of the metadata but leave specifics to the actual data provider (C) 2009 Elsevier B V. All rights reserved
C1 [Aguilar, Raul; Gries, Corinna] Arizona State Univ, Global Inst Sustainabil, Tempe, AZ 85287 USA.
[San Gil, Inigo] Univ New Mexico, Dept Biol, LTER Network Off, Albuquerque, NM 87111 USA.
[Pan, Jerry; Palanisamy, Giri] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
RP Gries, C (reprint author), Arizona State Univ, Global Inst Sustainabil, POB 875402, Tempe, AZ 85287 USA.
OI Gries, Corinna/0000-0002-9091-6543
FU Arizona Community Foundation [20060993]
FX This project was supported by a grant from the Arizona Community
Foundation (award 20060993 "Supporting the Development of the Arizona
Hydrologic Information System in Maricopa County"). Oak Ridge National
Laboratory (ORNL) is managed for the DOE by University of Tennessee and
Battelle (UT-Battelle).
NR 21
TC 3
Z9 3
U1 3
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1574-9541
J9 ECOL INFORM
JI Ecol. Inform.
PD JAN
PY 2010
VL 5
IS 1
SI SI
BP 26
EP 31
DI 10.1016/j.ecoinf.2009.08.012
PG 6
WC Ecology
SC Environmental Sciences & Ecology
GA 569LC
UT WOS:000275597300005
ER
PT J
AU Dale, VH
Lowrance, R
Mulholland, P
Robertson, GP
AF Dale, Virginia H.
Lowrance, Richard
Mulholland, Patrick
Robertson, G. Phillip
TI Bioenergy Sustainability at the Regional Scale
SO ECOLOGY AND SOCIETY
LA English
DT Article
DE bioenergy crops; ecosystem services; landscape; management
ID RYE COVER CROP; AGRICULTURAL LANDSCAPES; MANAGEMENT-PRACTICES; ECOSYSTEM
SERVICES; BIOFUEL PRODUCTION; ETHANOL-PRODUCTION; NITROGEN; WATER; CORN;
FERTILIZATION
AB The establishment of bioenergy crops will affect ecological processes and their interactions and thus has an influence on ecosystem services provided by the lands on which these crops are grown. The regional-scale effects of bioenergy choices on ecosystem services need special attention because they often have been neglected yet can affect the ecological, social, and economic aspects of sustainability. A regional-scale perspective provides the opportunity to maximize ecosystem services, particularly with regard to water quality and quantity issues, and also to consider other aspects of ecological, social, and economic sustainability. We give special attention to cellulosic feedstocks because of the opportunities they provide.
C1 [Dale, Virginia H.; Mulholland, Patrick] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Lowrance, Richard] USDA ARS, SE Watershed Res Lab, Washington, DC 20250 USA.
[Robertson, G. Phillip] WK Kellogg Biol Stn, Dept Crop & Soil Sci, Hickory Corners, MI 49060 USA.
RP Dale, VH (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
FU U.S. Department of Energy (DOE); DOE Great Lakes Bioenergy Research
Center; Michigan Agricultural Experiment Station; UT-Battelle, LLC, for
DOE [DE-AC05-00OR22725]
FX This research was supported by the U.S. Department of Energy (DOE) under
the Office of the Biomass Program. Partial support was also provided by
DOE Great Lakes Bioenergy Research Center and the Michigan Agricultural
Experiment Station. Allen McBride and Peter Schweizer provided useful
comments on an earlier version of the manuscript. We appreciate the
assistance of Frederick O'Hara in editing the manuscript and Lindsey
Amason in organizing the references. Oak Ridge National Laboratory is
managed by the UT-Battelle, LLC, for DOE under contract
DE-AC05-00OR22725.
NR 42
TC 21
Z9 21
U1 2
U2 16
PU RESILIENCE ALLIANCE
PI WOLFVILLE
PA ACADIA UNIV, BIOLOGY DEPT, WOLFVILLE, NS B0P 1X0, CANADA
SN 1708-3087
J9 ECOL SOC
JI Ecol. Soc.
PY 2010
VL 15
IS 4
AR 23
PG 10
WC Ecology; Environmental Studies
SC Environmental Sciences & Ecology
GA 702SW
UT WOS:000285917100035
ER
PT B
AU Porto, C
AF Porto, Casey
BE Shane, S
TI Government policies to encourage economic development through
entrepreneurship: the case of technology transfer COMMENTARY
SO ECONOMIC DEVELOPMENT THROUGH ENTREPRENEURSHIP: GOVERNMENT, UNIVERSITY
AND BUSINESS LINKAGES
SE New Horizons in Entrepreneurship
LA English
DT Editorial Material; Book Chapter
C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Porto, C (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU EDWARD ELGAR PUBLISHING LTD
PI CHELTENHAM
PA GLENSANDA HOUSE, MONTPELLIER PARADE, CHELTENHAM GL50 1UA, GLOS, ENGLAND
BN 978-1-84376-855-5
J9 NEW HORIZ ENTREP
PY 2010
BP 47
EP 49
PG 3
WC Business; Management
SC Business & Economics
GA BRX42
UT WOS:000283848100005
ER
PT J
AU Stewart, CN
Shugart, L
Liu, GS
Zhuang, J
Ma, YQ
Tuskan, GA
Meilan, R
Gentry, RW
Sayler, GS
AF Stewart, C. Neal, Jr.
Shugart, Lee
Liu, Gong-She
Zhuang, Jie
Ma, Yongqing
Tuskan, Gerald A.
Meilan, Richard
Gentry, Randall W.
Sayler, Gary S.
TI China-US workshop on biotechnology of bioenergy plants
SO ECOTOXICOLOGY
LA English
DT Editorial Material
C1 [Stewart, C. Neal, Jr.] Univ Tennessee, Dept Plant Sci, Knoxville, TN 37966 USA.
[Stewart, C. Neal, Jr.; Tuskan, Gerald A.; Sayler, Gary S.] BioEnergy Sci Ctr, Oak Ridge, TN 37830 USA.
[Shugart, Lee] LR Shugart & Associates Inc, Oak Ridge, TN 37831 USA.
[Liu, Gong-She] Chinese Acad Sci, Inst Bot, Beijing, Peoples R China.
[Zhuang, Jie; Gentry, Randall W.] Univ Tennessee, Inst Secure & Sustainable Environm, Knoxville, TN 37996 USA.
[Ma, Yongqing] Chinese Acad Sci, Inst Soil & Water Conservat, Yangling 712100, Shaanxi, Peoples R China.
[Tuskan, Gerald A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37830 USA.
[Meilan, Richard] Purdue Univ, Dept Forestry & Nat Resources, W Lafayette, IN 47907 USA.
[Meilan, Richard] Purdue Univ, Ctr Environm, W Lafayette, IN 47907 USA.
[Sayler, Gary S.] Univ Tennessee, Dept Microbiol, Ctr Environm Biotechnol, Knoxville, TN 37996 USA.
RP Stewart, CN (reprint author), Univ Tennessee, Dept Plant Sci, Knoxville, TN 37966 USA.
EM nealstewart@utk.edu
RI Tuskan, Gerald/A-6225-2011; Gentry, Randall/J-8177-2012;
OI Tuskan, Gerald/0000-0003-0106-1289; Gentry, Randall/0000-0003-2477-8127;
Ma, Yongqing/0000-0001-7525-9111
NR 10
TC 2
Z9 2
U1 0
U2 1
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0963-9292
J9 ECOTOXICOLOGY
JI Ecotoxicology
PD JAN
PY 2010
VL 19
IS 1
BP 1
EP 3
DI 10.1007/s10646-009-0448-5
PG 3
WC Ecology; Environmental Sciences; Toxicology
SC Environmental Sciences & Ecology; Toxicology
GA 536GE
UT WOS:000273032100001
PM 19967444
ER
PT J
AU Todd, BD
Willson, JD
Gibbons, JW
AF Todd, Brian D.
Willson, John D.
Gibbons, J. Whitfield
BE Sparling, DW
Linder, G
Bishop, CA
Krest, SK
TI The Global Status of Reptiles and Causes of Their Decline
SO ECOTOXICOLOGY OF AMPHIBIANS AND REPTILES, SECOND EDITION
LA English
DT Article; Book Chapter
ID TURTLE STERNOTHERUS-DEPRESSUS; CHOLINESTERASE-INHIBITING PESTICIDE;
LIZARD SCELOPORUS-OCCIDENTALIS; AMPHIBIAN POPULATION DECLINES;
ECOLOGICAL RISK-ASSESSMENT; TRACHEMYS-SCRIPTA-ELEGANS; SNAKES
NERODIA-FASCIATA; FRESH-WATER TURTLES; UNITED-STATES;
INTERNATIONAL-TRADE
C1 [Todd, Brian D.; Willson, John D.; Gibbons, J. Whitfield] Univ Georgia, Savannah River Ecol Lab, Aiken, SC USA.
RP Todd, BD (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC USA.
NR 154
TC 26
Z9 29
U1 5
U2 53
PU CRC PRESS-TAYLOR & FRANCIS GROUP
PI BOCA RATON
PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA
BN 978-1-4200-6417-9
PY 2010
BP 47
EP 67
DI 10.1201/EBK1420064162-c3
D2 10.1201/EBK1420064162
PG 21
WC Ecology; Toxicology; Zoology
SC Environmental Sciences & Ecology; Toxicology; Zoology
GA BTP33
UT WOS:000287695500005
ER
PT B
AU Tarter, CB
AF Tarter, C. Bruce
BE Libby, SB
VanBibber, KA
TI BRIEF REFLECTIONS ON EDWARD TELLER'S SCIENTIFIC LIFE AT LIVERMORE
SO EDWARD TELLER CENTENNIAL SYMPOSIUM: MODERN PHYSICS AND THE SCIENTIFIC
LEGACY OF EDWARD TELLER
LA English
DT Proceedings Paper
CT Edward Teller Centennial Symposium
CY MAY 28-28, 2008
CL Bankhead Theatre, Livermore, CA
HO Bankhead Theatre
C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Tarter, CB (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE
BN 978-981-283-799-8
PY 2010
BP 1
EP 3
DI 10.1142/9789812838001_0001
PG 3
WC History & Philosophy Of Science; Physics, Applied
SC History & Philosophy of Science; Physics
GA BRD17
UT WOS:000282391700001
ER
PT B
AU Libby, SB
Sessler, AM
AF Libby, Stephen B.
Sessler, Andrew M.
BE Libby, SB
VanBibber, KA
TI EDWARD TELLER BIOGRAPHICAL MEMOIR
SO EDWARD TELLER CENTENNIAL SYMPOSIUM: MODERN PHYSICS AND THE SCIENTIFIC
LEGACY OF EDWARD TELLER
LA English
DT Proceedings Paper
CT Edward Teller Centennial Symposium
CY MAY 28-28, 2008
CL Bankhead Theatre, Livermore, CA
HO Bankhead Theatre
C1 [Libby, Stephen B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Libby, SB (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
NR 12
TC 0
Z9 0
U1 0
U2 1
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE
BN 978-981-283-799-8
PY 2010
BP 13
EP 61
DI 10.1142/9789812838001_0003
PG 49
WC History & Philosophy Of Science; Physics, Applied
SC History & Philosophy of Science; Physics
GA BRD17
UT WOS:000282391700003
ER
PT B
AU Kalos, MH
AF Kalos, M. H.
BE Libby, SB
VanBibber, KA
TI MONTE CARLO METHODS
SO EDWARD TELLER CENTENNIAL SYMPOSIUM: MODERN PHYSICS AND THE SCIENTIFIC
LEGACY OF EDWARD TELLER
LA English
DT Proceedings Paper
CT Edward Teller Centennial Symposium
CY MAY 28-28, 2008
CL Bankhead Theatre, Livermore, CA
HO Bankhead Theatre
ID SIMULATION; DIFFUSION; SYSTEMS; GROWTH
AB Computation now plays an essential role in science, especially in theoretical physics. The greater depth of our understanding of physical phenomena and the need to predict the behavior of complex devices demands a level of analysis that purely mathematical methods cannot meet. Monte Carlo methods offer some of the most powerful approaches to computation. They permit a simple transcription of a random process into a computer code. Alternatively, they give the only accurate approach to the many-dimensional problems of theoretical physics. I will describe a number of complementary approaches for Monte Carlo methods in treating diverse systems.
C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Kalos, MH (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
NR 29
TC 0
Z9 0
U1 0
U2 1
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE
BN 978-981-283-799-8
PY 2010
BP 128
EP 139
DI 10.1142/9789812838001_0008
PG 12
WC History & Philosophy Of Science; Physics, Applied
SC History & Philosophy of Science; Physics
GA BRD17
UT WOS:000282391700008
ER
PT S
AU Capote, R
Smith, DL
Trkov, A
AF Capote, R.
Smith, D. L.
Trkov, A.
BE Granier, T
Laurent, B
Ledoux, X
Marmouget, JG
TI Nuclear data evaluation methodology including estimates of covariances
SO EFNUDAT: MEASUREMENTS AND MODELS OF NUCLEAR REACTIONS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT EFNUDAT Users and Collaboration Workshop on Measurements and Models of
Nuclear Reactions
CY MAY 25-27, 2010
CL Paris, FRANCE
SP EFNUDAT, European Comm
ID DATA LIBRARY; STANDARDS; EMPIRE; CODE
AB Evaluated nuclear data rather than raw experimental and theoretical information are employed in nuclear applications such as the design of nuclear energy systems. Therefore, the process by which such information is produced and ultimately used is of critical interest to the nuclear science community. This paper provides an overview of various contemporary methods employed to generate evaluated cross sections and related physical quantities such as particle emission angular distributions and energy spectra. The emphasis here is on data associated with neutron induced reaction processes, with consideration of the uncertainties in these data, and on the more recent evaluation methods, e.g., those that are based on stochastic (Monte Carlo) techniques. There is no unique way to perform such evaluations, nor are nuclear data evaluators united in their opinions as to which methods are superior to the others in various circumstances. In some cases it is not critical which approaches are used as long as there is consistency and proper use is made of the available physical information. However, in other instances there are definite advantages to using particular methods as opposed to other options. Some of these distinctions are discussed in this paper and suggestions are offered regarding fruitful areas for future research in the development of evaluation methodology.
C1 [Capote, R.] IAEA, Nucl Data Sect, A-1400 Vienna, Austria.
[Smith, D. L.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA.
[Trkov, A.] Jozef Stefan Inst, Ljubljana, Slovenia.
RP Capote, R (reprint author), IAEA, Nucl Data Sect, A-1400 Vienna, Austria.
EM r.capotenoy@iaea.org
RI Capote Noy, Roberto/M-1245-2014
OI Capote Noy, Roberto/0000-0002-1799-3438
FU International Atomic Energy Agency; U.S. Department of Energy
FX The authors are indebted to the International Atomic Energy Agency (RC
and AT) and the U.S. Department of Energy (DLS) for supporting this
work. Discussions on the Total Monte Carlo (TMC) method with their
authors A. Koning and D. Rochman are acknowledged.
NR 33
TC 11
Z9 11
U1 1
U2 4
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-0585-3
J9 EPJ WEB CONF
PY 2010
VL 8
AR UNSP 04001
DI 10.1051/epjconf/20100804001
PG 11
WC Physics, Multidisciplinary; Physics, Nuclear
SC Physics
GA BVG13
UT WOS:000291447800013
ER
PT B
AU Markel, T
Smith, K
Pesaran, AA
AF Markel, Tony
Smith, Kandler
Pesaran, Ahmad A.
BE Pistoia, G
TI Improving Petroleum Displacement Potential of PHEVs Using Enhanced
Charging Scenarios
SO ELECTRIC AND HYBRID VEHICLES: POWER SOURCES, MODELS, SUSTAINABILITY,
INFRASTRUCTURE AND THE MARKET
LA English
DT Article; Book Chapter
C1 [Markel, Tony; Smith, Kandler; Pesaran, Ahmad A.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Pesaran, AA (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA.
EM ahmad.pesaran@nrel.gov
NR 17
TC 1
Z9 1
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
BN 978-0-44-453566-5
PY 2010
BP 211
EP 225
DI 10.1016/B978-0-444-53565-8.00008-7
PG 15
WC Transportation Science & Technology
SC Transportation
GA BCQ04
UT WOS:000310986600009
ER
PT B
AU Wipke, K
Sprik, S
Kurtz, J
Ramsden, T
Garbak, J
AF Wipke, Keith
Sprik, Sam
Kurtz, Jennifer
Ramsden, Todd
Garbak, John
BE Pistoia, G
TI DOE's National Fuel Cell Vehicle Learning Demonstration Project - NREL's
Data Analysis Results
SO ELECTRIC AND HYBRID VEHICLES: POWER SOURCES, MODELS, SUSTAINABILITY,
INFRASTRUCTURE AND THE MARKET
LA English
DT Article; Book Chapter
C1 [Wipke, Keith; Sprik, Sam; Kurtz, Jennifer; Ramsden, Todd] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Garbak, John] US DOE, Washington, DC 20585 USA.
RP Wipke, K (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM Keith.Wipke@nrel.gov
NR 6
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
BN 978-0-44-453566-5
PY 2010
BP 287
EP 303
DI 10.1016/B978-0-444-53565-8.00012-9
PG 17
WC Transportation Science & Technology
SC Transportation
GA BCQ04
UT WOS:000310986600013
ER
PT J
AU Li, SH
Haskew, TA
Muljadi, E
AF Li, Shuhui
Haskew, Timothy A.
Muljadi, Eduard
TI Doubly Fed Induction Generator Maximum Wind Power Extraction Study
Through Integrated Steady-state and Close-loop Control Evaluation
SO ELECTRIC POWER COMPONENTS AND SYSTEMS
LA English
DT Article
DE wind power; doubly fed induction generator; d-q vector control;
generator characteristics; extracted wind power characteristics; maximum
power extraction
ID ENERGY GENERATION; SYSTEMS; OPTIMIZATION; PERFORMANCE; TURBINES; DFIG
AB A doubly fed induction generator wind turbine is a variable-speed wind turbine widely used in the modern wind power industry. Unlike a fixed-speed wind turbine, the maximum power extraction of the turbine is affected by (1) electrical characteristics of the generator, (2) aerodynamic characteristics of the turbine blades, and (3) maximum power extraction control strategies. This article presents a doubly fed induction generator maximum power extraction study through the integrated steady-state and transient close-loop control evaluation approach so as to benefit the development of enhanced peak power tracking control techniques for variable-speed wind turbines. The generator characteristics are examined for different d-q control conditions; the peak power tracking and extracted wind power characteristics of the turbine blades versus generator slip are presented. Then, all three characteristics are analyzed in a joint environment to investigate doubly fed induction generator maximum power extraction principles. A nested current- and speed-loop control structure is developed using the stator-flux-oriented frame, which is then used to evaluate factors that may affect doubly fed induction generator peak power tracking control performance. Simulation studies are conducted to investigate how doubly fed induction generator maximum power extraction is influenced by wind turbine electrical and aerodynamic characteristics, different peak power tracking control designs, and variable and gusting winds.
C1 [Li, Shuhui; Haskew, Timothy A.] Univ Alabama, ECE Dept, Tuscaloosa, AL 35487 USA.
[Muljadi, Eduard] Natl Wind Technol Ctr, Natl Renewable Energy Lab, Golden, CO USA.
RP Li, SH (reprint author), Univ Alabama, ECE Dept, 317 Houser Hall,Box 870286, Tuscaloosa, AL 35487 USA.
EM sli@eng.ua.edu
NR 22
TC 6
Z9 6
U1 0
U2 4
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA
SN 1532-5008
J9 ELECTR POW COMPO SYS
JI Electr. Power Compon. Syst.
PY 2010
VL 38
IS 7
BP 767
EP 785
AR PII 922556189
DI 10.1080/15325000903489728
PG 19
WC Engineering, Electrical & Electronic
SC Engineering
GA 602KN
UT WOS:000278138200002
ER
PT J
AU Chen, Z
Liu, J
Jansen, AN
GirishKumar, G
Casteel, B
Amine, K
AF Chen, Zonghai
Liu, Jun
Jansen, A. N.
GirishKumar, G.
Casteel, Bill
Amine, K.
TI Lithium Borate Cluster Salts as Redox Shuttles for Overcharge Protection
of Lithium-Ion Cells
SO ELECTROCHEMICAL AND SOLID STATE LETTERS
LA English
DT Article
ID CHEMICAL OVERCHARGE; BATTERIES; ADDITIVES
AB Redox shuttle is a promising mechanism for intrinsic overcharge protection in lithium-ion cells and batteries. Two lithium borate cluster salts are reported to function as both the main salt for a nonaqueous electrolyte and the redox shuttle for overcharge protection. Lithium borate cluster salts with a tunable redox potential are promising candidates for overcharge protection for most positive electrodes in state-of-the-art lithium-ion cells. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3299251] All rights reserved.
C1 [Chen, Zonghai; Liu, Jun; Jansen, A. N.; Amine, K.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[GirishKumar, G.; Casteel, Bill] Air Prod & Chem Inc, Allentown, PA 18195 USA.
RP Chen, Z (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM Zonghai.chen@anl.gov; amine@cmt.anl.gov
RI Chen, Zonghai/K-8745-2013; Amine, Khalil/K-9344-2013; Jansen,
Andrew/Q-5912-2016
OI Jansen, Andrew/0000-0003-3244-7790
NR 18
TC 26
Z9 26
U1 3
U2 29
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 1099-0062
EI 1944-8775
J9 ELECTROCHEM SOLID ST
JI Electrochem. Solid State Lett.
PY 2010
VL 13
IS 4
BP A39
EP A42
DI 10.1149/1.3299251
PG 4
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA 553TX
UT WOS:000274390800004
ER
PT J
AU Qin, Y
Chen, ZH
Liu, J
Amine, K
AF Qin, Yan
Chen, Zonghai
Liu, Jun
Amine, Khalil
TI Lithium Tetrafluoro Oxalato Phosphate as Electrolyte Additive for
Lithium-Ion Cells
SO ELECTROCHEMICAL AND SOLID STATE LETTERS
LA English
DT Article
ID HIGH-POWER APPLICATIONS; VINYLENE CARBONATE; BATTERY ELECTROLYTE;
ETHYLENE CARBONATE; GRAPHITE ANODE; DIFLUORO(OXALATO)BORATE; LIBOB;
SALT; IMPROVE; SURFACE
AB Lithium tetrafluoro oxalato phosphate (LTFOP) was investigated as an electrolyte additive to improve the life of mesocarbon microbead (MCMB)/Li(1.1)[Ni(1/3)Co(1/3)Mn(1/3)](0.9)O(2) (NCM) cells for high power applications. With the addition of 1-3 wt % LTFOP to MCMB/NCM cells, the capacity retention after 200 cycles at 55 degrees C significantly improved. Electrochemical impedance spectroscopy showed that the LTFOP addition in the electrolyte increased the initial impedance but lowered the impedance growth rate during cycling. Aging tests at 55 degrees C indicated that the capacity retention of the negative electrode significantly benefited as a result of the LTFOP addition. Differential scanning calorimetry showed that the safety of the lithiated MCMB is significantly improved with the LTFOP addition. (C) 2009 The Electrochemical Society. [DOI: 10.1149/1.3261738] All rights reserved.
C1 [Qin, Yan; Chen, Zonghai; Liu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Qin, Y (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM qin@anl.gov; amine@anl.gov
RI Chen, Zonghai/K-8745-2013; Amine, Khalil/K-9344-2013
FU U.S. Department of Energy, FreedomCAR, and Vehicle Technologies Office;
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences; U. S. Department of Energy by UChicago Argonne, LLC
[DE-AC0Z06CH11357]
FX This research was funded by the U.S. Department of Energy, FreedomCAR,
and Vehicle Technologies Office. The DSC equipment was provided by the
Center for Nanoscale Materials at Argonne National Laboratory, which is
supported by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences. Argonne National Laboratory is operated for the
U. S. Department of Energy by UChicago Argonne, LLC, under contract
DE-AC0Z06CH11357.
NR 21
TC 23
Z9 23
U1 9
U2 42
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 1099-0062
J9 ELECTROCHEM SOLID ST
JI Electrochem. Solid State Lett.
PY 2010
VL 13
IS 2
BP A11
EP A14
DI 10.1149/1.3261738
PG 4
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA 533QG
UT WOS:000272838700001
ER
PT J
AU Schulz, DL
Hoey, J
Smith, J
Elangovan, A
Wu, X
Akhatov, I
Payne, S
Moore, J
Boudjouk, P
Pederson, L
Xiao, J
Zhang, JG
AF Schulz, Douglas L.
Hoey, Justin
Smith, Jeremiah
Elangovan, Arumugasamy
Wu, Xiangfa
Akhatov, Iskander
Payne, Scott
Moore, Jayma
Boudjouk, Philip
Pederson, Larry
Xiao, Jie
Zhang, Ji-Guang
TI Si6H12/Polymer Inks for Electrospinning a-Si Nanowire Lithium Ion
Battery Anodes
SO ELECTROCHEMICAL AND SOLID STATE LETTERS
LA English
DT Article
DE electrochemical electrodes; electrospinning; elemental semiconductors;
heat treatment; nanofabrication; nanoporous materials; nanowires;
polymers; Raman spectra; secondary cells; semiconductor growth; silicon
ID SILICON NANOWIRES; HIGH-CAPACITY; SOLAR-CELLS; NANOFIBERS; PERFORMANCE;
FILMS
AB Amorphous silicon nanowires (a-SiNWs) have been prepared by electrospinning a liquid silane-based precursor. Cyclohexasilane (Si6H12) was admixed with poly(methyl methacrylate) (PMMA) in toluene giving an ink that was electrospun into the Si6H12/PPMA wires with diameters of 50-2000 nm. Raman spectroscopy revealed that thermal treatment at 350 degrees C transforms this deposit into a-SiNWs. These materials were coated with a thin carbon layer and then tested as half-cells where a reasonable plateau in electrochemical cycling was observed after an initial capacity fade. Additionally, porous a-SiNWs were realized when the thermally decomposable binder polypropylene carbonate/polycyclohexene carbonate was used as the polymer carrier. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3466994] All rights reserved.
C1 [Schulz, Douglas L.; Hoey, Justin; Smith, Jeremiah; Elangovan, Arumugasamy; Wu, Xiangfa; Akhatov, Iskander; Payne, Scott; Moore, Jayma; Boudjouk, Philip; Pederson, Larry] N Dakota State Univ, Ctr Nanoscale Sci & Engn, Fargo, ND 58102 USA.
[Xiao, Jie; Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
RP Schulz, DL (reprint author), N Dakota State Univ, Ctr Nanoscale Sci & Engn, Fargo, ND 58102 USA.
EM doug.schulz@ndsu.edu
FU National Science Foundation/State of North Dakota EPSCoR [EPS-0447679];
U.S. Department of Energy [DE-FC36-08GO88160]
FX Financial support from the National Science Foundation/State of North
Dakota EPSCoR (EPS-0447679) and the U.S. Department of Energy
(DE-FC36-08GO88160) is gratefully acknowledged.
NR 27
TC 9
Z9 9
U1 0
U2 49
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 1099-0062
J9 ELECTROCHEM SOLID ST
JI Electrochem. Solid State Lett.
PY 2010
VL 13
IS 10
BP A143
EP A145
DI 10.1149/1.3466994
PG 3
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA 636UX
UT WOS:000280769700002
ER
PT J
AU Xu, W
Xiao, J
Wang, DY
Zhang, J
Zhang, JG
AF Xu, Wu
Xiao, Jie
Wang, Deyu
Zhang, Jian
Zhang, Ji-Guang
TI Crown Ethers in Nonaqueous Electrolytes for Lithium/Air Batteries
SO ELECTROCHEMICAL AND SOLID STATE LETTERS
LA English
DT Article
ID LI-AIR BATTERIES; LITHIUM/OXYGEN BATTERY; ORGANIC ELECTROLYTES;
12-CROWN-4 ETHER; PERFORMANCE; TEMPERATURE; STABILITY; COMPLEXES;
CATHODES
AB Crown ethers can significantly affect the discharge performance of nonaqueous electrolytes in Li/air batteries. A small amount (<10 wt %) of crown ethers reduces battery performance, and a minimum discharge capacity appears at ca. 5 wt % of crown ether in the electrolytes. When the content increases to 15 wt %, both 12-crown-4 and 15-crown-5 improve the capacity of Li/air cells by about 28% and 16%, respectively. The 15-crown-5-based electrolytes even show a maximum discharge capacity in the crown ether content range of 10-15 wt %. However, increasing the amount of 18-crown-6 in the electrolytes continuously lowers the cell performance. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3305330] All rights reserved.
C1 [Xu, Wu; Xiao, Jie; Wang, Deyu; Zhang, Jian; Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA.
RP Xu, W (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA.
EM wu.xu@pnl.gov
RI Deyu, Wang/J-9496-2014;
OI Xu, Wu/0000-0002-2685-8684
FU U. S. Defense Advanced Research Projects Agency (DARPA); Laboratory
Directed Research and Development
FX This work was supported by the U. S. Defense Advanced Research Projects
Agency (DARPA). Funding from the Laboratory Directed Research and
Development Program at Pacific Northwest National Laboratory supported
the preparation of this paper. This paper has been approved for public
release with unlimited distribution. The views, opinions, and/or
findings contained in this article are those of the authors and should
not be interpreted as representing the official views or policies,
either expressed or implied, of DARPA or the Department of Defense.
NR 22
TC 50
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U1 9
U2 87
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 1099-0062
J9 ELECTROCHEM SOLID ST
JI Electrochem. Solid State Lett.
PY 2010
VL 13
IS 4
BP A48
EP A51
DI 10.1149/1.3305330
PG 4
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA 553TX
UT WOS:000274390800006
ER
PT J
AU Marina, OA
Pederson, LR
Thomsen, EC
Edwards, DJ
Coyle, CA
Cramer, CN
AF Marina, O. A.
Pederson, L. R.
Thomsen, E. C.
Edwards, D. J.
Coyle, C. A.
Cramer, C. N.
TI SOFC Ohmic Resistance Reduction by HCl-Induced Removal of Manganese at
the Anode/Electrolyte Interface
SO ELECTROCHEMICAL AND SOLID STATE LETTERS
LA English
DT Article
ID YTTRIA-STABILIZED ZIRCONIA; OXIDE FUEL-CELLS; COAL SYNGAS; CONDUCTIVITY;
PERFORMANCE; ANODES; GAS; CONTAMINANTS; ELECTROLYTE; ZRO2
AB The ohmic resistance of anode-supported solid oxide fuel cells (SOFCs) having a manganese-based cathode was lowered when operated in synthetic coal gas containing hydrogen chloride. This effect was not observed for cells with cathodes that did not contain manganese. Substantial amounts of Mn were found throughout the grain boundaries of the 8 mol % yttria-stabilized zirconia electrolyte. Exposure to HCl partially removed Mn near the anode/electrolyte interface, presumably by volatilization as MnCl(2)(g). This work suggests that one of the underlying causes of the higher than expected electrolyte resistance in anode-supported SOFCs involves the formation of a Mn-containing insulating layer at grain boundaries. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3380668] All rights reserved.
C1 [Marina, O. A.; Thomsen, E. C.; Edwards, D. J.; Coyle, C. A.; Cramer, C. N.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Pederson, L. R.] N Dakota State Univ, Ctr Nanoscale Sci & Engn, Fargo, ND 58102 USA.
RP Marina, OA (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM Olga.Marina@pnl.gov
FU U.S. Department of Energy [AC06-76RLO 1830]; Office of Fossil Energy;
National Energy Technology Laboratory
FX The authors acknowledge B. Arey for electron microscopy analyses and K.
J. Yoon for helpful discussions. Support for this work was provided by
the U.S. Department of Energy, the Office of Fossil Energy, and the
National Energy Technology Laboratory through the SECA Coal-Based
Systems Core Research Program. Pacific Northwest National Laboratory is
operated for the U. S. Department of Energy by Battelle under contract
AC06-76RLO 1830.
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U1 1
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PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 1099-0062
J9 ELECTROCHEM SOLID ST
JI Electrochem. Solid State Lett.
PY 2010
VL 13
IS 6
BP B63
EP B67
DI 10.1149/1.3380668
PG 5
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA 582SO
UT WOS:000276619300007
ER
PT J
AU White, CM
Jang, JS
Lee, SH
Pankow, J
Dillon, AC
AF White, Christine M.
Jang, Jum Suk
Lee, Se Hee
Pankow, Joel
Dillon, Anne C.
TI Photocatalytic Activity and Photoelectrochemical Property of Nano-WO3
Powders Made by Hot-Wire Chemical Vapor Deposition
SO ELECTROCHEMICAL AND SOLID STATE LETTERS
LA English
DT Article
ID ELECTROCHROMIC DEVICES; WO3 FILMS; NANOPARTICLES; WATER
AB Crystalline WO3 nanoparticles were made with hot-wire chemical vapor deposition. The powder was heat-treated at 300, 400, 500, and 600 degrees C in air. The structural properties were measured with X-ray photoelectron spectroscopy, X-ray diffraction. and Raman spectroscopy. Thin-film electrodes of the powder were made by ultrasonic spray deposition onto conducting substrates. The photocurrent was measured at wavelengths greater than 400 nm as the voltage was scanned from 0.2 to 1.8 V in an aqueous environment. A correlation was seen between the photocurrent and dye decomposition and the results were most favorable for the monoclinic (I) gamma-phase of WO3. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3484474] All rights reserved.
C1 [White, Christine M.; Jang, Jum Suk; Lee, Se Hee] Univ Colorado, Boulder, CO 80301 USA.
[Lee, Se Hee] Seoul Natl Univ, World Class Univ Hybrid Mat Program, Dept Mat Sci & Engn, Seoul, South Korea.
[White, Christine M.; Pankow, Joel; Dillon, Anne C.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP White, CM (reprint author), Univ Colorado, Boulder, CO 80301 USA.
EM jangjs75@postech.ac.kr; sehee.lee@colorado.edu
RI Lee, Sehee/A-5989-2011
FU U.S. Department of Energy [DE-AC36-99-GO10337]; DOE Office of Energy
Efficiency; Ministry of Education, Science and Technology
[R31-2008-000-10075-0]
FX This work was funded by the U.S. Department of Energy under subcontract
no. DE-AC36-99-GO10337 through the DOE Office of Energy Efficiency and
Renewable Energy Office of Building Technologies Program. This research
was supported in part by World Class University (WCU) program through
National Research Foundation of Korea funded by the Ministry of
Education, Science and Technology (R31-2008-000-10075-0).
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U1 0
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PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 1099-0062
J9 ELECTROCHEM SOLID ST
JI Electrochem. Solid State Lett.
PY 2010
VL 13
IS 11
BP B120
EP B122
DI 10.1149/1.3484474
PG 3
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA 667KY
UT WOS:000283193300009
ER
PT J
AU Yang, JB
Goenaga, G
Call, A
Liu, DJ
AF Yang, Junbing
Goenaga, Gabriel
Call, Ann
Liu, Di-Jia
TI Polymer Electrolyte Fuel Cell with Vertically Aligned Carbon Nanotubes
as the Electrocatalyst Support
SO ELECTROCHEMICAL AND SOLID STATE LETTERS
LA English
DT Article
ID CATALYST SUPPORT; OXYGEN REDUCTION; PEMFC; FILM
AB We successfully prepared membrane electrode assemblies (MEAs) for polymer electrolyte fuel cells using aligned carbon nanotubes (ACNTs) as the cathode catalyst support and evaluated their performances in single-cell tests. The ACNT-based MEAs demonstrated improved performance over a commercial carbon-black-based reference MEA in voltage-current polarization studies, particularly in the high current, mass-transport-limited region. The ACNT-MEAs also showed a significantly higher stability in conductivity and corrosion resistance than that of the reference during an accelerated aging test through potential cycling, which can be attributed to the vertical alignment and high graphiticity of the carbon nanotubes. (C) 2010 The Electrochemical Society. [DOI: 10.1149/1.3360901] All rights reserved.
C1 [Yang, Junbing; Goenaga, Gabriel; Call, Ann; Liu, Di-Jia] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Yang, JB (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM djliu@anl.gov
RI Yang, Junbing/E-4316-2010
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Office of Fuel Cell Technologies, UChicago Argonne, LLC
[DE-AC02-06CH11357]
FX We thank Dr. N. Kariuki, Dr. J. Mawdsley, and Dr. D. Myers for their
experimental support and helpful discussions. This work was supported by
the U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Office of Fuel Cell Technologies. The electron microscopy was
performed at the Electron Microscopy Center for Materials Research at
Argonne National Laboratory, a U.S. Department of Energy Office of
Science Laboratory operated under contract no. DE-AC02-06CH11357 by
UChicago Argonne, LLC.
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PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 1099-0062
EI 1944-8775
J9 ELECTROCHEM SOLID ST
JI Electrochem. Solid State Lett.
PY 2010
VL 13
IS 6
BP B55
EP B57
DI 10.1149/1.3360901
PG 3
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA 582SO
UT WOS:000276619300005
ER
EF